{ "Version": "1.1.23.12.27b", "Errors": {}, "ValidationType": "Database", "MotiveCount": 334, "Models": [ { "ModelName": "MLT", "LongName": "d-malate", "Formula": "C{4}H{6}O{5}", "CoordinateSource": "CifModel", "ModelNames": { "1": "C1", "2": "O1", "3": "O2", "4": "C2", "5": "O3", "6": "C3", "7": "C4", "8": "O4", "9": "O5" }, "ModelAtomTypes": { "1": "C", "2": "O", "3": "O", "4": "C", "5": "O", "6": "C", "7": "C", "8": "O", "9": "O" }, "PlanarAtoms": [], "ChiralAtoms": [ 4 ], "ChiralAtomsInfo": { "Planar": [], "Carbon": [ 4 ], "Metal": [], "NonSingleBond": [] }, "AtomNamingEquivalence": { "Charge": { "H31": "H31", "H32": "H31", "H6": "H6", "HO5": "H6" }, "ChargeIgnoreBondTypes": { "O4": "O4", "O5": "O4", "O1": "O1", "O2": "O1" } }, "ModelBonds": { "1-2": 2, "1-3": 1, "1-4": 1, "4-5": 1, "4-6": 1, "6-7": 1, "7-8": 2, "7-9": 1 }, "Summary": { "Analyzed": 334, "HasAll": 332, "HasAll_BadChirality": 44, "HasAll_BadChirality_Carbon": 44, "HasAll_BadChirality_Metal": 0, "HasAll_BadChirality_NonSingleBond": 0, "HasAll_BadChirality_Other": 0, "HasAll_BadChirality_Planar": 0, "HasAll_Foreign": 2, "HasAll_GoodChirality": 288, "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors": 288, "HasAll_NameMismatch": 256, "HasAll_NameMismatch_ChargeEquiv": 0, "HasAll_NameMismatch_ChargeEquivIgnoreBondType": 256, "HasAll_NameMismatch_NonChargeEquiv": 256, "HasAll_NameMismatch_NonChargeEquivIgnoreBondType": 1, "HasAll_Substitutions": 2, "HasAll_WrongBonds": 0, "HasAll_ZeroRmsd": 1, "Has_AlternateLocation": 6, "Has_NamingIssue_Duplicates": 0, "Has_NamingIssue_NonBoundarySubstitutionOrForeign": 1, "Has_NamingIssue_NonIsomorphic": 1, "Missing": 2, "Missing_Atoms": 2, "Missing_Degenerate": 0, "Missing_Rings": 0, "NotAnalyzed": 0 }, "StructureNames": [ "1amz", "1c1e", "1fuo", "1fup", "1fur", "1kq7", "1n8w", "1nbe", "1ouw", "1pj4", "1wwj", "1wzu", "1xuu", "2ar9", "2byo", "2csc", "2fgq", "2g76", "2gq3", "2img", "2vj2", "2vkl", "2wmm", "2yzo", "2z1z", "3b7o", "3d47", "3dr3", "3g1p", "3gn9", "3ipy", "3ird", "3k7r", "3mbo", "3mjs", "3na8", "3nf0", "3og9", "3ouz", "3q31", "3q8d", "3qf3", "3qut", "3r0v", "3rmi", "3rr1", "3tav", "3uk2", "3wal", "4a29", "4ccs", "4csc", "4eae", "4eru", "4hma", "4i1d", "4jb7", "4kcu", "4laq", "4nml", "4olq", "4pfr", "4pur", "4uhe", "4w5k", "4x58", "4x6e", "4z5z", "4z67", "5a2r", "5bv1", "5c9g", "5cuu", "5cuv", "5e5u", "5eqv", "5hzo", "5i5a", "5i6r", "5ikm", "5iqx", "5kvu", "5l8x", "5mfn", "5n4m", "5n4p", "5n4q", "5tk2", "5u8q", "5u8r", "5u9c", "5v32", "5v34", "5vkt", "5we7", "5wfu", "5xbf", "6bpy", "6cmz", "6cty", "6dzg", "6e9p", "6euo", "6gjk", "6h9u", "6hke", "6ihe", "6kxh", "6kxr", "6l86", "6lpq", "6pc0", "6plg", "6ppw", "6ppx", "6q4r", "6qnk", "6t6n", "6t6r", "6tul", "6u2t", "6uap", "6v3m", "6vei", "6yak", "6z72", "7a0k", "7b2d", "7bjt", "7c72", "7clz", "7dyc", "7jwf", "7ncc", "7p5l", "7pho", "7ps3", "7sfn", "7ury", "7v6u", "7vpc", "7ysf", "7z28", "8cgp", "8e1u", "8g1y", "8hgn", "8hx6", "8rdo", "8sfx", "8twn", "8twt", "8udt", "8v3m", "8v3n", "8v3o", "8zte", "8ztg", "8zti", "8ztj", "8ztl", "9at0", "9g3q", "9ghl", "9gk6", "9gpa", "9h4t", "9hhj", "9hi0", "9jc7", "9kla", "9kup", "9lbg", "9lqd", "9pct", "9r84", "9rti", "9uge" ], "NotAnalyzedNames": [], "Entries": [ { "ModelName": "MLT", "Id": "1amz_1_3392", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_ZeroRmsd" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.0 }, { "ModelName": "MLT", "Id": "1c1e_1_3341", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 L", "ResidueCount": 1, "Residues": [ "MLT 702 L" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3349", "9": "O4 O 3348" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.898 }, { "ModelName": "MLT", "Id": "1fuo_0_6912", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 468 A", "ResidueCount": 1, "Residues": [ "MLT 468 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 6915" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.026 }, { "ModelName": "MLT", "Id": "1fuo_2_6934", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 468 B", "ResidueCount": 1, "Residues": [ "MLT 468 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 6937" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.073 }, { "ModelName": "MLT", "Id": "1fup_0_6905", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 473 A", "ResidueCount": 1, "Residues": [ "MLT 473 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 6908" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.026 }, { "ModelName": "MLT", "Id": "1fup_2_6932", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 473 B", "ResidueCount": 1, "Residues": [ "MLT 473 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 6935" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.056 }, { "ModelName": "MLT", "Id": "1fur_0_8472", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 468 A", "ResidueCount": 1, "Residues": [ "MLT 468 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 8475" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.014 }, { "ModelName": "MLT", "Id": "1fur_1_8481", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 468 B", "ResidueCount": 1, "Residues": [ "MLT 468 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 8484" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.08 }, { "ModelName": "MLT", "Id": "1kq7_0_6908", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 468 A", "ResidueCount": 1, "Residues": [ "MLT 468 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.973 }, { "ModelName": "MLT", "Id": "1n8w_0_10972", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 901 A", "ResidueCount": 1, "Residues": [ "MLT 901 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 10980", "9": "O4 O 10979" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 10975" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.151 }, { "ModelName": "MLT", "Id": "1n8w_1_10981", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 902 A", "ResidueCount": 1, "Residues": [ "MLT 902 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 10984" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.654 }, { "ModelName": "MLT", "Id": "1n8w_3_11044", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 1902 B", "ResidueCount": 1, "Residues": [ "MLT 1902 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 11047" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.858 }, { "ModelName": "MLT", "Id": "1nbe_0_7229", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 311 A", "ResidueCount": 1, "Residues": [ "MLT 311 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 7232" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.917 }, { "ModelName": "MLT", "Id": "1nbe_1_7238", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 312 A", "ResidueCount": 1, "Residues": [ "MLT 312 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 7241" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.419 }, { "ModelName": "MLT", "Id": "1nbe_2_7248", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 311 C", "ResidueCount": 1, "Residues": [ "MLT 311 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 7251" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.625 }, { "ModelName": "MLT", "Id": "1nbe_3_7257", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 312 C", "ResidueCount": 1, "Residues": [ "MLT 312 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7265", "9": "O4 O 7264" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 7260" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.819 }, { "ModelName": "MLT", "Id": "1ouw_3_4503", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 C", "ResidueCount": 1, "Residues": [ "MLT 502 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4505", "3": "O1 O 4504" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 4506" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.756 }, { "ModelName": "MLT", "Id": "1ouw_5_4520", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 D", "ResidueCount": 1, "Residues": [ "MLT 501 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4522", "3": "O1 O 4521" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 4523" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.769 }, { "ModelName": "MLT", "Id": "1pj4_11_17597", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 2701 C", "ResidueCount": 1, "Residues": [ "MLT 2701 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 17600" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.232 }, { "ModelName": "MLT", "Id": "1pj4_15_17677", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 3701 D", "ResidueCount": 1, "Residues": [ "MLT 3701 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 17679", "3": "O1 O 17678" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 17680" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.358 }, { "ModelName": "MLT", "Id": "1pj4_1_17437", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 701 A", "ResidueCount": 1, "Residues": [ "MLT 701 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 17439", "3": "O1 O 17438" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 17440" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.348 }, { "ModelName": "MLT", "Id": "1pj4_7_17517", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1701 B", "ResidueCount": 1, "Residues": [ "MLT 1701 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 17519", "3": "O1 O 17518" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 17520" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.364 }, { "ModelName": "MLT", "Id": "1wwj_10_3154", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6007 C", "ResidueCount": 1, "Residues": [ "MLT 6007 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3156", "3": "O1 O 3155" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3157" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.777 }, { "ModelName": "MLT", "Id": "1wwj_12_3171", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6008 D", "ResidueCount": 1, "Residues": [ "MLT 6008 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3173", "3": "O1 O 3172" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3174" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.925 }, { "ModelName": "MLT", "Id": "1wwj_1_3066", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6001 A", "ResidueCount": 1, "Residues": [ "MLT 6001 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3068", "3": "O1 O 3067" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3069" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.848 }, { "ModelName": "MLT", "Id": "1wwj_4_3083", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6002 B", "ResidueCount": 1, "Residues": [ "MLT 6002 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3085", "3": "O1 O 3084" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3086" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.787 }, { "ModelName": "MLT", "Id": "1wwj_5_3092", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6003 B", "ResidueCount": 1, "Residues": [ "MLT 6003 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3094", "3": "O1 O 3093" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3095" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.852 }, { "ModelName": "MLT", "Id": "1wwj_6_3101", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6004 B", "ResidueCount": 1, "Residues": [ "MLT 6004 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3103", "3": "O1 O 3102" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3104" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.808 }, { "ModelName": "MLT", "Id": "1wwj_7_3110", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6005 B", "ResidueCount": 1, "Residues": [ "MLT 6005 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3112", "3": "O1 O 3111" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3113" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.688 }, { "ModelName": "MLT", "Id": "1wwj_9_3145", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 6006 C", "ResidueCount": 1, "Residues": [ "MLT 6006 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3147", "3": "O1 O 3146", "8": "O5 O 3153", "9": "O4 O 3152" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3148" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.866 }, { "ModelName": "MLT", "Id": "1wzu_0_2171", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2179", "9": "O4 O 2178" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 2174" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.078 }, { "ModelName": "MLT", "Id": "1xuu_0_2683", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 3222 A", "ResidueCount": 1, "Residues": [ "MLT 3222 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 2686" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.29 }, { "ModelName": "MLT", "Id": "2ar9_0_7145", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 668 A", "ResidueCount": 1, "Residues": [ "MLT 668 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7147", "3": "O1 O 7146" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 7148" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.214 }, { "ModelName": "MLT", "Id": "2byo_4_1430", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1219 A", "ResidueCount": 1, "Residues": [ "MLT 1219 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1432", "3": "O1 O 1431" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.63 }, { "ModelName": "MLT", "Id": "2csc_1_3359", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3361", "3": "O1 O 3360" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.159 }, { "ModelName": "MLT", "Id": "2fgq_0_2481", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 700 X", "ResidueCount": 1, "Residues": [ "MLT 700 X" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 2484" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.998 }, { "ModelName": "MLT", "Id": "2g76_1_4464", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 503 A", "ResidueCount": 1, "Residues": [ "MLT 503 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4466", "3": "O1 O 4465" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.923 }, { "ModelName": "MLT", "Id": "2g76_3_4517", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 504 B", "ResidueCount": 1, "Residues": [ "MLT 504 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 4525", "9": "O4 O 4524" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.937 }, { "ModelName": "MLT", "Id": "2gq3_1_10919", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 900 A", "ResidueCount": 1, "Residues": [ "MLT 900 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 10927", "9": "O4 O 10926" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 10922" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.175 }, { "ModelName": "MLT", "Id": "2gq3_3_10993", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 901 B", "ResidueCount": 1, "Residues": [ "MLT 901 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10995", "3": "O1 O 10994" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 10996" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.221 }, { "ModelName": "MLT", "Id": "2img_0_1162", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 1170", "9": "O4 O 1169" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 1165" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.434 }, { "ModelName": "MLT", "Id": "2vj2_0_2300", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1336 B", "ResidueCount": 1, "Residues": [ "MLT 1336 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.928 }, { "ModelName": "MLT", "Id": "2vkl_0_614", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1090 A", "ResidueCount": 1, "Residues": [ "MLT 1090 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 622", "9": "O4 O 621" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 617" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.863 }, { "ModelName": "MLT", "Id": "2wmm_0_2585", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1805 A", "ResidueCount": 1, "Residues": [ "MLT 1805 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2587", "3": "O1 O 2586" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.054 }, { "ModelName": "MLT", "Id": "2yzo_0_3428", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3430", "3": "O1 O 3429" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.993 }, { "ModelName": "MLT", "Id": "2yzo_1_3437", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.999 }, { "ModelName": "MLT", "Id": "2z1z_0_6289", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 433 A", "ResidueCount": 1, "Residues": [ "MLT 433 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6291", "3": "O1 O 6290", "8": "O5 O 6297", "9": "O4 O 6296" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 6292" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.174 }, { "ModelName": "MLT", "Id": "3b7o_0_2216", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 1 A", "ResidueCount": 1, "Residues": [ "MLT 1 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 2219" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.054 }, { "ModelName": "MLT", "Id": "3d47_0_25098", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 A", "ResidueCount": 1, "Residues": [ "MLT 502 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25100", "3": "O1 O 25099", "8": "O5 O 25106", "9": "O4 O 25105" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.955 }, { "ModelName": "MLT", "Id": "3d47_1_25108", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 B", "ResidueCount": 1, "Residues": [ "MLT 502 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25110", "3": "O1 O 25109", "8": "O5 O 25116", "9": "O4 O 25115" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.949 }, { "ModelName": "MLT", "Id": "3d47_2_25118", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 C", "ResidueCount": 1, "Residues": [ "MLT 502 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25120", "3": "O1 O 25119", "8": "O5 O 25126", "9": "O4 O 25125" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.967 }, { "ModelName": "MLT", "Id": "3d47_3_25128", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 D", "ResidueCount": 1, "Residues": [ "MLT 502 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25130", "3": "O1 O 25129", "8": "O5 O 25136", "9": "O4 O 25135" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.952 }, { "ModelName": "MLT", "Id": "3d47_4_25138", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 E", "ResidueCount": 1, "Residues": [ "MLT 502 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25140", "3": "O1 O 25139", "8": "O5 O 25146", "9": "O4 O 25145" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.959 }, { "ModelName": "MLT", "Id": "3d47_5_25148", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 F", "ResidueCount": 1, "Residues": [ "MLT 502 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25150", "3": "O1 O 25149", "8": "O5 O 25156", "9": "O4 O 25155" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.946 }, { "ModelName": "MLT", "Id": "3d47_6_25158", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 G", "ResidueCount": 1, "Residues": [ "MLT 502 G" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25160", "3": "O1 O 25159", "8": "O5 O 25166", "9": "O4 O 25165" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.951 }, { "ModelName": "MLT", "Id": "3d47_7_25168", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 502 H", "ResidueCount": 1, "Residues": [ "MLT 502 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 25170", "3": "O1 O 25169", "8": "O5 O 25176", "9": "O4 O 25175" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.945 }, { "ModelName": "MLT", "Id": "3dr3_0_2554", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "Has_AlternateLocation" ], "MainResidue": "MLT 337 A", "ResidueCount": 1, "Residues": [ "MLT 337 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2558", "3": "O1 O 2556", "8": "O5 O 2570", "9": "O4 O 2568" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 1, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.88 }, { "ModelName": "MLT", "Id": "3g1p_0_3887", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 500 A", "ResidueCount": 1, "Residues": [ "MLT 500 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3889", "3": "O1 O 3888" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3890" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.855 }, { "ModelName": "MLT", "Id": "3g1p_1_3899", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 B", "ResidueCount": 1, "Residues": [ "MLT 501 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3901", "3": "O1 O 3900" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3902" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.888 }, { "ModelName": "MLT", "Id": "3gn9_0_2645", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1 A", "ResidueCount": 1, "Residues": [ "MLT 1 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2653", "9": "O4 O 2652" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.955 }, { "ModelName": "MLT", "Id": "3gn9_1_2656", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1 C", "ResidueCount": 1, "Residues": [ "MLT 1 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.886 }, { "ModelName": "MLT", "Id": "3ipy_0_3744", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 261 A", "ResidueCount": 1, "Residues": [ "MLT 261 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.812 }, { "ModelName": "MLT", "Id": "3ipy_3_3811", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon" ], "MainResidue": "MLT 262 B", "ResidueCount": 1, "Residues": [ "MLT 262 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3814" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.49 }, { "ModelName": "MLT", "Id": "3ird_0_2201", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "Has_AlternateLocation" ], "MainResidue": "MLT 300 A", "ResidueCount": 1, "Residues": [ "MLT 300 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2217", "9": "O4 O 2215" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 2207" }, "Substitutions": {}, "AlternateLocationCount": 1, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.032 }, { "ModelName": "MLT", "Id": "3k7r_0_6763", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 77 D", "ResidueCount": 1, "Residues": [ "MLT 77 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6765", "3": "O1 O 6764" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 6766" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.836 }, { "ModelName": "MLT", "Id": "3k7r_1_6792", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 75 L", "ResidueCount": 1, "Residues": [ "MLT 75 L" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.839 }, { "ModelName": "MLT", "Id": "3mbo_1_23384", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 388 A", "ResidueCount": 1, "Residues": [ "MLT 388 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 23386", "3": "O1 O 23385", "8": "O5 O 23392", "9": "O4 O 23391" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.996 }, { "ModelName": "MLT", "Id": "3mbo_3_23442", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 385 C", "ResidueCount": 1, "Residues": [ "MLT 385 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 23444", "3": "O1 O 23443", "8": "O5 O 23450", "9": "O4 O 23449" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.631 }, { "ModelName": "MLT", "Id": "3mbo_5_23519", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 387 E", "ResidueCount": 1, "Residues": [ "MLT 387 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 23527", "9": "O4 O 23526" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.633 }, { "ModelName": "MLT", "Id": "3mbo_7_23584", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 384 H", "ResidueCount": 1, "Residues": [ "MLT 384 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.621 }, { "ModelName": "MLT", "Id": "3mjs_2_6982", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 478 A", "ResidueCount": 1, "Residues": [ "MLT 478 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6990", "9": "O4 O 6989" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.487 }, { "ModelName": "MLT", "Id": "3mjs_4_7045", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 477 B", "ResidueCount": 1, "Residues": [ "MLT 477 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7047", "3": "O1 O 7046", "8": "O5 O 7053", "9": "O4 O 7052" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.896 }, { "ModelName": "MLT", "Id": "3mjs_5_7054", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 478 B", "ResidueCount": 1, "Residues": [ "MLT 478 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7056", "3": "O1 O 7055" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.802 }, { "ModelName": "MLT", "Id": "3na8_1_8991", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 317 A", "ResidueCount": 1, "Residues": [ "MLT 317 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 8993", "3": "O1 O 8992" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.121 }, { "ModelName": "MLT", "Id": "3na8_4_9002", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 317 C", "ResidueCount": 1, "Residues": [ "MLT 317 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 9010", "9": "O4 O 9009" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.971 }, { "ModelName": "MLT", "Id": "3na8_6_9012", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 317 D", "ResidueCount": 1, "Residues": [ "MLT 317 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9014", "3": "O1 O 9013", "8": "O5 O 9020", "9": "O4 O 9019" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.986 }, { "ModelName": "MLT", "Id": "3nf0_1_1800", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 226 A", "ResidueCount": 1, "Residues": [ "MLT 226 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 1808", "9": "O4 O 1807" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.101 }, { "ModelName": "MLT", "Id": "3nf0_2_1809", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 227 A", "ResidueCount": 1, "Residues": [ "MLT 227 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1811", "3": "O1 O 1810" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.125 }, { "ModelName": "MLT", "Id": "3nf0_3_1818", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 228 A", "ResidueCount": 1, "Residues": [ "MLT 228 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1820", "3": "O1 O 1819" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.741 }, { "ModelName": "MLT", "Id": "3og9_0_3391", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 500 A", "ResidueCount": 1, "Residues": [ "MLT 500 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3393", "3": "O1 O 3392", "8": "O5 O 3399", "9": "O4 O 3398" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.388 }, { "ModelName": "MLT", "Id": "3og9_1_3400", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 500 B", "ResidueCount": 1, "Residues": [ "MLT 500 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3402", "3": "O1 O 3401" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.351 }, { "ModelName": "MLT", "Id": "3ouz_3_8040", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 463 B", "ResidueCount": 1, "Residues": [ "MLT 463 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 8048", "9": "O4 O 8047" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.067 }, { "ModelName": "MLT", "Id": "3q31_1_3734", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 3 A", "ResidueCount": 1, "Residues": [ "MLT 3 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3736", "3": "O1 O 3735", "8": "O5 O 3742", "9": "O4 O 3741" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3737" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.645 }, { "ModelName": "MLT", "Id": "3q31_3_3758", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_Carbon", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 3 B", "ResidueCount": 1, "Residues": [ "MLT 3 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3766", "9": "O4 O 3765" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "4": "C2 C 3761" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.852 }, { "ModelName": "MLT", "Id": "3q8d_0_3726", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 700 A", "ResidueCount": 1, "Residues": [ "MLT 700 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3728", "3": "O1 O 3727" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.213 }, { "ModelName": "MLT", "Id": "3qf3_1_6145", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 134 B", "ResidueCount": 1, "Residues": [ "MLT 134 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.25 }, { "ModelName": "MLT", "Id": "3qf3_2_6154", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 134 E", "ResidueCount": 1, "Residues": [ "MLT 134 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6156", "3": "O1 O 6155" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.084 }, { "ModelName": "MLT", "Id": "3qut_0_1802", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 227 A", "ResidueCount": 1, "Residues": [ "MLT 227 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 6, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1804", "3": "O1 O 1803" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.208 }, { "ModelName": "MLT", "Id": "3r0v_1_1977", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 264 A", "ResidueCount": 1, "Residues": [ "MLT 264 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1979", "3": "O1 O 1978" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.871 }, { "ModelName": "MLT", "Id": "3rmi_0_849", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 113 A", "ResidueCount": 1, "Residues": [ "MLT 113 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 851", "3": "O1 O 850" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.512 }, { "ModelName": "MLT", "Id": "3rr1_0_5856", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 406 B", "ResidueCount": 1, "Residues": [ "MLT 406 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 5864", "9": "O4 O 5863" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.958 }, { "ModelName": "MLT", "Id": "3tav_0_3823", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 270 A", "ResidueCount": 1, "Residues": [ "MLT 270 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3831", "9": "O4 O 3830" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.922 }, { "ModelName": "MLT", "Id": "3uk2_1_4417", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 284 A", "ResidueCount": 1, "Residues": [ "MLT 284 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.537 }, { "ModelName": "MLT", "Id": "3uk2_3_4455", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 282 B", "ResidueCount": 1, "Residues": [ "MLT 282 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4457", "3": "O1 O 4456" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.538 }, { "ModelName": "MLT", "Id": "3wal_0_961", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 A", "ResidueCount": 1, "Residues": [ "MLT 201 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 963", "3": "O1 O 962" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.63 }, { "ModelName": "MLT", "Id": "4a29_1_4777", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 300 A", "ResidueCount": 1, "Residues": [ "MLT 300 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.863 }, { "ModelName": "MLT", "Id": "4ccs_0_1675", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 299 A", "ResidueCount": 1, "Residues": [ "MLT 299 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1677", "3": "O1 O 1676" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.049 }, { "ModelName": "MLT", "Id": "4csc_1_3307", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3309", "3": "O1 O 3308" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.097 }, { "ModelName": "MLT", "Id": "4eae_0_2932", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.849 }, { "ModelName": "MLT", "Id": "4eae_1_2942", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2944", "3": "O1 O 2943" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.955 }, { "ModelName": "MLT", "Id": "4eru_0_2649", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 A", "ResidueCount": 1, "Residues": [ "MLT 201 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2651", "3": "O1 O 2650" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.862 }, { "ModelName": "MLT", "Id": "4eru_1_2660", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 201 B", "ResidueCount": 1, "Residues": [ "MLT 201 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.753 }, { "ModelName": "MLT", "Id": "4hma_6_2747", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 506 B", "ResidueCount": 1, "Residues": [ "MLT 506 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2755", "9": "O4 O 2754" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.053 }, { "ModelName": "MLT", "Id": "4i1d_0_10035", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 417 A", "ResidueCount": 1, "Residues": [ "MLT 417 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10037", "3": "O1 O 10036" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.882 }, { "ModelName": "MLT", "Id": "4i1d_1_10121", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 416 B", "ResidueCount": 1, "Residues": [ "MLT 416 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.126 }, { "ModelName": "MLT", "Id": "4i1d_2_10233", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 422 C", "ResidueCount": 1, "Residues": [ "MLT 422 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10235", "3": "O1 O 10234", "8": "O5 O 10241", "9": "O4 O 10240" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.901 }, { "ModelName": "MLT", "Id": "4i1d_3_10323", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 417 D", "ResidueCount": 1, "Residues": [ "MLT 417 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10325", "3": "O1 O 10324", "8": "O5 O 10331", "9": "O4 O 10330" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.036 }, { "ModelName": "MLT", "Id": "4jb7_0_1944", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1946", "3": "O1 O 1945" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.931 }, { "ModelName": "MLT", "Id": "4kcu_0_7634", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1003 A", "ResidueCount": 1, "Residues": [ "MLT 1003 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 5, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.21 }, { "ModelName": "MLT", "Id": "4kcu_2_7665", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 503 B", "ResidueCount": 1, "Residues": [ "MLT 503 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7667", "3": "O1 O 7666" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.147 }, { "ModelName": "MLT", "Id": "4laq_0_1730", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 302 H", "ResidueCount": 1, "Residues": [ "MLT 302 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.948 }, { "ModelName": "MLT", "Id": "4nml_1_1906", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 303 A", "ResidueCount": 1, "Residues": [ "MLT 303 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.189 }, { "ModelName": "MLT", "Id": "4olq_0_11458", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 11466", "9": "O4 O 11465" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.062 }, { "ModelName": "MLT", "Id": "4pfr_0_4189", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 A", "ResidueCount": 1, "Residues": [ "MLT 401 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 4197", "9": "O4 O 4196" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.925 }, { "ModelName": "MLT", "Id": "4pfr_1_4202", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 B", "ResidueCount": 1, "Residues": [ "MLT 401 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4204", "3": "O1 O 4203" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.883 }, { "ModelName": "MLT", "Id": "4pur_0_3241", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3249", "9": "O4 O 3248" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.155 }, { "ModelName": "MLT", "Id": "4pur_1_3250", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 302 A", "ResidueCount": 1, "Residues": [ "MLT 302 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.791 }, { "ModelName": "MLT", "Id": "4uhe_1_2478", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1277 A", "ResidueCount": 1, "Residues": [ "MLT 1277 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2480", "3": "O1 O 2479", "8": "O5 O 2486", "9": "O4 O 2485" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.977 }, { "ModelName": "MLT", "Id": "4w5k_1_5881", "State": "Validated", "Flags": [ "Analyzed", "Missing", "Missing_Atoms" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 4, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [ 6, 7, 8, 9 ], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 5883", "3": "O1 O 5882" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [ "C3", "C4", "O4", "O5" ], "ModelRmsd": 0.142 }, { "ModelName": "MLT", "Id": "4w5k_3_5906", "State": "Validated", "Flags": [ "Analyzed", "Missing", "Missing_Atoms" ], "MainResidue": "MLT 501 B", "ResidueCount": 1, "Residues": [ "MLT 501 B" ], "MissingAtomCount": 4, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [ 6, 7, 8, 9 ], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [ "C3", "C4", "O4", "O5" ], "ModelRmsd": 0.239 }, { "ModelName": "MLT", "Id": "4x58_0_4949", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 A", "ResidueCount": 1, "Residues": [ "MLT 401 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4951", "3": "O1 O 4950", "8": "O5 O 4957", "9": "O4 O 4956" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.918 }, { "ModelName": "MLT", "Id": "4x6e_0_2973", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2975", "3": "O1 O 2974" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.386 }, { "ModelName": "MLT", "Id": "4z5z_0_2383", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 403 A", "ResidueCount": 1, "Residues": [ "MLT 403 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.034 }, { "ModelName": "MLT", "Id": "4z67_0_2489", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.401 }, { "ModelName": "MLT", "Id": "5a2r_0_4873", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1615 A", "ResidueCount": 1, "Residues": [ "MLT 1615 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4875", "3": "O1 O 4874" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.144 }, { "ModelName": "MLT", "Id": "5bv1_0_14242", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 901 B", "ResidueCount": 1, "Residues": [ "MLT 901 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.113 }, { "ModelName": "MLT", "Id": "5bv1_1_14251", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 901 D", "ResidueCount": 1, "Residues": [ "MLT 901 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 14259", "9": "O4 O 14258" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.986 }, { "ModelName": "MLT", "Id": "5c9g_1_11709", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 302 E", "ResidueCount": 1, "Residues": [ "MLT 302 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.18 }, { "ModelName": "MLT", "Id": "5cuu_0_6188", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 901 A", "ResidueCount": 1, "Residues": [ "MLT 901 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6190", "3": "O1 O 6189", "8": "O5 O 6196", "9": "O4 O 6195" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.07 }, { "ModelName": "MLT", "Id": "5cuu_1_6197", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 902 A", "ResidueCount": 1, "Residues": [ "MLT 902 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6199", "3": "O1 O 6198", "8": "O5 O 6205", "9": "O4 O 6204" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.066 }, { "ModelName": "MLT", "Id": "5cuu_3_6227", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 901 B", "ResidueCount": 1, "Residues": [ "MLT 901 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6235", "9": "O4 O 6234" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.07 }, { "ModelName": "MLT", "Id": "5cuv_0_6222", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6224", "3": "O1 O 6223", "8": "O5 O 6230", "9": "O4 O 6229" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.086 }, { "ModelName": "MLT", "Id": "5e5u_3_7439", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 B", "ResidueCount": 1, "Residues": [ "MLT 403 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7441", "3": "O1 O 7440", "8": "O5 O 7447", "9": "O4 O 7446" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.056 }, { "ModelName": "MLT", "Id": "5e5u_6_7474", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 C", "ResidueCount": 1, "Residues": [ "MLT 403 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7476", "3": "O1 O 7475" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.94 }, { "ModelName": "MLT", "Id": "5e5u_7_7483", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 D", "ResidueCount": 1, "Residues": [ "MLT 401 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7491", "9": "O4 O 7490" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.956 }, { "ModelName": "MLT", "Id": "5e5u_8_7496", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 D", "ResidueCount": 1, "Residues": [ "MLT 403 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7504", "9": "O4 O 7503" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.001 }, { "ModelName": "MLT", "Id": "5eqv_0_2783", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 406 A", "ResidueCount": 1, "Residues": [ "MLT 406 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2785", "3": "O1 O 2784" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.678 }, { "ModelName": "MLT", "Id": "5hzo_1_3587", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3589", "3": "O1 O 3588", "8": "O5 O 3595", "9": "O4 O 3594" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.985 }, { "ModelName": "MLT", "Id": "5hzo_4_3628", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 302 B", "ResidueCount": 1, "Residues": [ "MLT 302 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3630", "3": "O1 O 3629" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.817 }, { "ModelName": "MLT", "Id": "5i5a_33_615", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 101 B", "ResidueCount": 1, "Residues": [ "MLT 101 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 617", "3": "O1 O 616", "8": "O5 O 623", "9": "O4 O 622" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.86 }, { "ModelName": "MLT", "Id": "5i6r_0_3654", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3662", "9": "O4 O 3661" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.034 }, { "ModelName": "MLT", "Id": "5ikm_3_2302", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 313 A", "ResidueCount": 1, "Residues": [ "MLT 313 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2310", "9": "O4 O 2309" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.974 }, { "ModelName": "MLT", "Id": "5iqx_1_1500", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "Has_AlternateLocation" ], "MainResidue": "MLT 202 A", "ResidueCount": 1, "Residues": [ "MLT 202 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1504", "3": "O1 O 1502", "8": "O5 O 1516", "9": "O4 O 1514" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 1, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.945 }, { "ModelName": "MLT", "Id": "5kvu_1_22974", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 802 A", "ResidueCount": 1, "Residues": [ "MLT 802 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 22982", "9": "O4 O 22981" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.097 }, { "ModelName": "MLT", "Id": "5l8x_1_2579", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 B", "ResidueCount": 1, "Residues": [ "MLT 201 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2587", "9": "O4 O 2586" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.82 }, { "ModelName": "MLT", "Id": "5mfn_0_4135", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 302 A", "ResidueCount": 1, "Residues": [ "MLT 302 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.21 }, { "ModelName": "MLT", "Id": "5mfn_1_4146", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 B", "ResidueCount": 1, "Residues": [ "MLT 303 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 4154", "9": "O4 O 4153" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.142 }, { "ModelName": "MLT", "Id": "5n4m_1_2445", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 203 A", "ResidueCount": 1, "Residues": [ "MLT 203 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2447", "3": "O1 O 2446" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.979 }, { "ModelName": "MLT", "Id": "5n4p_1_2497", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 202 A", "ResidueCount": 1, "Residues": [ "MLT 202 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2499", "3": "O1 O 2498" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.032 }, { "ModelName": "MLT", "Id": "5n4q_1_2560", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 203 A", "ResidueCount": 1, "Residues": [ "MLT 203 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2562", "3": "O1 O 2561" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.994 }, { "ModelName": "MLT", "Id": "5tk2_0_2830", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 202 A", "ResidueCount": 1, "Residues": [ "MLT 202 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2832", "3": "O1 O 2831" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.079 }, { "ModelName": "MLT", "Id": "5tk2_1_2844", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 203 B", "ResidueCount": 1, "Residues": [ "MLT 203 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2846", "3": "O1 O 2845" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.888 }, { "ModelName": "MLT", "Id": "5tk2_2_2858", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 203 D", "ResidueCount": 1, "Residues": [ "MLT 203 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2866", "9": "O4 O 2865" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.876 }, { "ModelName": "MLT", "Id": "5u8q_0_8654", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1003 A", "ResidueCount": 1, "Residues": [ "MLT 1003 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.067 }, { "ModelName": "MLT", "Id": "5u8r_0_8256", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1002 A", "ResidueCount": 1, "Residues": [ "MLT 1002 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 8258", "3": "O1 O 8257" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.916 }, { "ModelName": "MLT", "Id": "5u8r_1_8265", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1003 A", "ResidueCount": 1, "Residues": [ "MLT 1003 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.881 }, { "ModelName": "MLT", "Id": "5u9c_1_14129", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 14137", "9": "O4 O 14136" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.964 }, { "ModelName": "MLT", "Id": "5v32_0_5577", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.934 }, { "ModelName": "MLT", "Id": "5v34_0_5499", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 A", "ResidueCount": 1, "Residues": [ "MLT 403 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 5507", "9": "O4 O 5506" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.971 }, { "ModelName": "MLT", "Id": "5vkt_1_10492", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 406 A", "ResidueCount": 1, "Residues": [ "MLT 406 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 10500", "9": "O4 O 10499" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.022 }, { "ModelName": "MLT", "Id": "5we7_1_1488", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 304 A", "ResidueCount": 1, "Residues": [ "MLT 304 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1490", "3": "O1 O 1489" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.93 }, { "ModelName": "MLT", "Id": "5wfu_0_7454", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.009 }, { "ModelName": "MLT", "Id": "5wfu_1_7463", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7471", "9": "O4 O 7470" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.024 }, { "ModelName": "MLT", "Id": "5wfu_2_7472", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 C", "ResidueCount": 1, "Residues": [ "MLT 301 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7480", "9": "O4 O 7479" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.946 }, { "ModelName": "MLT", "Id": "5wfu_3_7481", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 D", "ResidueCount": 1, "Residues": [ "MLT 301 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7483", "3": "O1 O 7482", "8": "O5 O 7489", "9": "O4 O 7488" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.954 }, { "ModelName": "MLT", "Id": "5xbf_0_4630", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 2203 A", "ResidueCount": 1, "Residues": [ "MLT 2203 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 4638", "9": "O4 O 4637" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.94 }, { "ModelName": "MLT", "Id": "6bpy_9_4950", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 410 B", "ResidueCount": 1, "Residues": [ "MLT 410 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4952", "3": "O1 O 4951" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.852 }, { "ModelName": "MLT", "Id": "6cmz_8_13981", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 D", "ResidueCount": 1, "Residues": [ "MLT 501 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 13989", "9": "O4 O 13988" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.483 }, { "ModelName": "MLT", "Id": "6cty_11_16138", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 403 C", "ResidueCount": 1, "Residues": [ "MLT 403 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 9, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.039 }, { "ModelName": "MLT", "Id": "6cty_15_16149", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 D", "ResidueCount": 1, "Residues": [ "MLT 403 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 9, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 16151", "3": "O1 O 16150", "8": "O5 O 16157", "9": "O4 O 16156" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.025 }, { "ModelName": "MLT", "Id": "6cty_22_16162", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 403 F", "ResidueCount": 1, "Residues": [ "MLT 403 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 9, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.032 }, { "ModelName": "MLT", "Id": "6cty_3_16116", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 A", "ResidueCount": 1, "Residues": [ "MLT 403 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 9, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 16118", "3": "O1 O 16117", "8": "O5 O 16124", "9": "O4 O 16123" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.04 }, { "ModelName": "MLT", "Id": "6cty_7_16127", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 B", "ResidueCount": 1, "Residues": [ "MLT 403 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 9, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 16129", "3": "O1 O 16128", "8": "O5 O 16135", "9": "O4 O 16134" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.993 }, { "ModelName": "MLT", "Id": "6dzg_1_9552", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 9560", "9": "O4 O 9559" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.13 }, { "ModelName": "MLT", "Id": "6dzg_3_9588", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 B", "ResidueCount": 1, "Residues": [ "MLT 402 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 9596", "9": "O4 O 9595" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.15 }, { "ModelName": "MLT", "Id": "6dzg_4_9597", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 B", "ResidueCount": 1, "Residues": [ "MLT 403 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9599", "3": "O1 O 9598" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.941 }, { "ModelName": "MLT", "Id": "6dzg_6_9633", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 C", "ResidueCount": 1, "Residues": [ "MLT 402 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9635", "3": "O1 O 9634" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.202 }, { "ModelName": "MLT", "Id": "6dzg_8_9665", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 D", "ResidueCount": 1, "Residues": [ "MLT 402 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9667", "3": "O1 O 9666" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.18 }, { "ModelName": "MLT", "Id": "6e9p_3_19267", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "Has_AlternateLocation" ], "MainResidue": "MLT 502 B", "ResidueCount": 1, "Residues": [ "MLT 502 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 19271", "3": "O1 O 19269" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 1, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.051 }, { "ModelName": "MLT", "Id": "6euo_0_11073", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 11081", "9": "O4 O 11080" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.063 }, { "ModelName": "MLT", "Id": "6euo_1_11100", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 B", "ResidueCount": 1, "Residues": [ "MLT 402 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 11108", "9": "O4 O 11107" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.013 }, { "ModelName": "MLT", "Id": "6euo_2_11122", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 C", "ResidueCount": 1, "Residues": [ "MLT 402 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 11124", "3": "O1 O 11123" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.046 }, { "ModelName": "MLT", "Id": "6euo_3_11155", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 D", "ResidueCount": 1, "Residues": [ "MLT 402 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 11163", "9": "O4 O 11162" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.147 }, { "ModelName": "MLT", "Id": "6gjk_5_5688", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 410 A", "ResidueCount": 1, "Residues": [ "MLT 410 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 5696", "9": "O4 O 5695" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.905 }, { "ModelName": "MLT", "Id": "6h9u_0_3232", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3240", "9": "O4 O 3239" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.842 }, { "ModelName": "MLT", "Id": "6hke_0_6604", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 A", "ResidueCount": 1, "Residues": [ "MLT 401 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6606", "3": "O1 O 6605" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.934 }, { "ModelName": "MLT", "Id": "6hke_1_6622", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_Foreign", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "HasAll_NameMismatch_NonChargeEquivIgnoreBondType", "HasAll_Substitutions", "Has_NamingIssue_NonBoundarySubstitutionOrForeign", "Has_NamingIssue_NonIsomorphic" ], "MainResidue": "MLT 401 B", "ResidueCount": 2, "Residues": [ "MLT 401 B", "LMR 402 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": true, "NameMismatchCount": 4, "ForeignAtomCount": 3, "ChiralityMismatchCount": 0, "SubstitutionCount": 1, "UnmatchedMotiveAtomCount": 9, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6624", "5": "O1 O 6623", "6": "C2 C 6625", "8": "O3 O 6626" }, "NameMismatchFlags": { "5": [ "NonChargeEquiv", "NonChargeEquivIgnoreBonds" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "6": [ "NonChargeEquiv", "NonChargeEquivIgnoreBonds" ], "8": [ "NonChargeEquiv", "NonChargeEquivIgnoreBonds" ] }, "ForeignAtoms": { "3": "O1B O 6633, LMR 402 B", "4": "C1 C 6631, LMR 402 B", "7": "C2 C 6634, LMR 402 B" }, "ChiralityMismatches": {}, "Substitutions": { "9": "C3 C 6627" }, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [ "O1B O 6633", "C1 C 6631", "C2 C 6634" ], "UnmatchedModelNames": [ "C4", "O4", "O5" ], "ModelRmsd": 1.249 }, { "ModelName": "MLT", "Id": "6hke_3_6640", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 C", "ResidueCount": 1, "Residues": [ "MLT 401 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6642", "3": "O1 O 6641" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.983 }, { "ModelName": "MLT", "Id": "6ihe_1_4697", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.29 }, { "ModelName": "MLT", "Id": "6ihe_8_4811", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 B", "ResidueCount": 1, "Residues": [ "MLT 402 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 4819", "9": "O4 O 4818" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.287 }, { "ModelName": "MLT", "Id": "6kxh_1_9162", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9164", "3": "O1 O 9163", "8": "O5 O 9170", "9": "O4 O 9169" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.885 }, { "ModelName": "MLT", "Id": "6kxh_5_9286", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 D", "ResidueCount": 1, "Residues": [ "MLT 403 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9288", "3": "O1 O 9287", "8": "O5 O 9294", "9": "O4 O 9293" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.855 }, { "ModelName": "MLT", "Id": "6kxr_0_9098", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 C", "ResidueCount": 1, "Residues": [ "MLT 401 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9100", "3": "O1 O 9099", "8": "O5 O 9106", "9": "O4 O 9105" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.823 }, { "ModelName": "MLT", "Id": "6l86_1_9380", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 A", "ResidueCount": 1, "Residues": [ "MLT 303 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9382", "3": "O1 O 9381" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.984 }, { "ModelName": "MLT", "Id": "6lpq_1_7082", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 603 A", "ResidueCount": 1, "Residues": [ "MLT 603 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7090", "9": "O4 O 7089" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.097 }, { "ModelName": "MLT", "Id": "6lpq_3_7145", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 603 B", "ResidueCount": 1, "Residues": [ "MLT 603 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7147", "3": "O1 O 7146", "8": "O5 O 7153", "9": "O4 O 7152" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.127 }, { "ModelName": "MLT", "Id": "6pc0_0_7898", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 514 A", "ResidueCount": 1, "Residues": [ "MLT 514 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7900", "3": "O1 O 7899" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.01 }, { "ModelName": "MLT", "Id": "6pc0_1_7911", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 515 A", "ResidueCount": 1, "Residues": [ "MLT 515 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7913", "3": "O1 O 7912", "8": "O5 O 7919", "9": "O4 O 7918" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.224 }, { "ModelName": "MLT", "Id": "6plg_11_18246", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 H", "ResidueCount": 1, "Residues": [ "MLT 402 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 18254", "9": "O4 O 18253" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.899 }, { "ModelName": "MLT", "Id": "6plg_5_18114", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 E", "ResidueCount": 1, "Residues": [ "MLT 402 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 18116", "3": "O1 O 18115" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.031 }, { "ModelName": "MLT", "Id": "6plg_7_18158", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 F", "ResidueCount": 1, "Residues": [ "MLT 402 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 18166", "9": "O4 O 18165" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.035 }, { "ModelName": "MLT", "Id": "6plg_9_18202", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 G", "ResidueCount": 1, "Residues": [ "MLT 402 G" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 18204", "3": "O1 O 18203", "8": "O5 O 18210", "9": "O4 O 18209" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.966 }, { "ModelName": "MLT", "Id": "6ppw_0_2669", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.258 }, { "ModelName": "MLT", "Id": "6ppx_0_2682", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 701 A", "ResidueCount": 1, "Residues": [ "MLT 701 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2684", "3": "O1 O 2683", "8": "O5 O 2690", "9": "O4 O 2689" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.987 }, { "ModelName": "MLT", "Id": "6q4r_4_7609", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1041 A", "ResidueCount": 1, "Residues": [ "MLT 1041 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7611", "3": "O1 O 7610", "8": "O5 O 7617", "9": "O4 O 7616" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.055 }, { "ModelName": "MLT", "Id": "6qnk_3_6840", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "Has_AlternateLocation" ], "MainResidue": "MLT 305 B", "ResidueCount": 1, "Residues": [ "MLT 305 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6844", "3": "O1 O 6842" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 1, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.936 }, { "ModelName": "MLT", "Id": "6qnk_4_6858", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 306 B", "ResidueCount": 1, "Residues": [ "MLT 306 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6860", "3": "O1 O 6859" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.033 }, { "ModelName": "MLT", "Id": "6qnk_6_6888", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 304 C", "ResidueCount": 1, "Residues": [ "MLT 304 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6890", "3": "O1 O 6889", "8": "O5 O 6896", "9": "O4 O 6895" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.998 }, { "ModelName": "MLT", "Id": "6qnk_7_6897", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 305 C", "ResidueCount": 1, "Residues": [ "MLT 305 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6899", "3": "O1 O 6898", "8": "O5 O 6905", "9": "O4 O 6904" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.807 }, { "ModelName": "MLT", "Id": "6t6n_7_14829", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 H", "ResidueCount": 1, "Residues": [ "MLT 303 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 14831", "3": "O1 O 14830" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.856 }, { "ModelName": "MLT", "Id": "6t6r_0_6930", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1002 A", "ResidueCount": 1, "Residues": [ "MLT 1002 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6938", "9": "O4 O 6937" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.024 }, { "ModelName": "MLT", "Id": "6t6r_1_6939", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1003 A", "ResidueCount": 1, "Residues": [ "MLT 1003 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.121 }, { "ModelName": "MLT", "Id": "6tul_2_6429", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 HHH", "ResidueCount": 1, "Residues": [ "MLT 303 HHH" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6437", "9": "O4 O 6436" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.71 }, { "ModelName": "MLT", "Id": "6tul_3_6442", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 304 HHH", "ResidueCount": 1, "Residues": [ "MLT 304 HHH" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.695 }, { "ModelName": "MLT", "Id": "6u2t_0_29233", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1001 A", "ResidueCount": 1, "Residues": [ "MLT 1001 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 29235", "3": "O1 O 29234", "8": "O5 O 29241", "9": "O4 O 29240" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.997 }, { "ModelName": "MLT", "Id": "6u2t_1_29252", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1001 B", "ResidueCount": 1, "Residues": [ "MLT 1001 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 29254", "3": "O1 O 29253", "8": "O5 O 29260", "9": "O4 O 29259" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.091 }, { "ModelName": "MLT", "Id": "6u2t_2_29276", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1001 C", "ResidueCount": 1, "Residues": [ "MLT 1001 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 29278", "3": "O1 O 29277", "8": "O5 O 29284", "9": "O4 O 29283" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.091 }, { "ModelName": "MLT", "Id": "6u2t_3_29300", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1001 D", "ResidueCount": 1, "Residues": [ "MLT 1001 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.018 }, { "ModelName": "MLT", "Id": "6uap_12_19377", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 507 F", "ResidueCount": 1, "Residues": [ "MLT 507 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 19379", "3": "O1 O 19378" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.981 }, { "ModelName": "MLT", "Id": "6uap_15_19422", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 503 H", "ResidueCount": 1, "Residues": [ "MLT 503 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 19430", "9": "O4 O 19429" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.855 }, { "ModelName": "MLT", "Id": "6uap_3_19225", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 505 B", "ResidueCount": 1, "Residues": [ "MLT 505 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 19227", "3": "O1 O 19226" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.134 }, { "ModelName": "MLT", "Id": "6uap_7_19305", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 510 D", "ResidueCount": 1, "Residues": [ "MLT 510 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 19307", "3": "O1 O 19306", "8": "O5 O 19313", "9": "O4 O 19312" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.146 }, { "ModelName": "MLT", "Id": "6uap_8_19314", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 511 D", "ResidueCount": 1, "Residues": [ "MLT 511 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 19322", "9": "O4 O 19321" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.989 }, { "ModelName": "MLT", "Id": "6v3m_1_3627", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 206 A", "ResidueCount": 1, "Residues": [ "MLT 206 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3635", "9": "O4 O 3634" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.939 }, { "ModelName": "MLT", "Id": "6vei_9_6945", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 505 B", "ResidueCount": 1, "Residues": [ "MLT 505 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6947", "3": "O1 O 6946" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.004 }, { "ModelName": "MLT", "Id": "6yak_11_20422", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 304 CCC", "ResidueCount": 1, "Residues": [ "MLT 304 CCC" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 20430", "9": "O4 O 20429" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.267 }, { "ModelName": "MLT", "Id": "6yak_12_20435", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 305 CCC", "ResidueCount": 1, "Residues": [ "MLT 305 CCC" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 20443", "9": "O4 O 20442" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.963 }, { "ModelName": "MLT", "Id": "6yak_13_20448", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 306 CCC", "ResidueCount": 1, "Residues": [ "MLT 306 CCC" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 20450", "3": "O1 O 20449" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.172 }, { "ModelName": "MLT", "Id": "6yak_14_20461", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 307 CCC", "ResidueCount": 1, "Residues": [ "MLT 307 CCC" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 20463", "3": "O1 O 20462" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.096 }, { "ModelName": "MLT", "Id": "6yak_15_20474", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 308 CCC", "ResidueCount": 1, "Residues": [ "MLT 308 CCC" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 20476", "3": "O1 O 20475" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.979 }, { "ModelName": "MLT", "Id": "6yak_1_20259", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 304 AAA", "ResidueCount": 1, "Residues": [ "MLT 304 AAA" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 20261", "3": "O1 O 20260", "8": "O5 O 20267", "9": "O4 O 20266" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.603 }, { "ModelName": "MLT", "Id": "6yak_2_20272", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 305 AAA", "ResidueCount": 1, "Residues": [ "MLT 305 AAA" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 20274", "3": "O1 O 20273", "8": "O5 O 20280", "9": "O4 O 20279" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.065 }, { "ModelName": "MLT", "Id": "6yak_6_20325", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 BBB", "ResidueCount": 1, "Residues": [ "MLT 501 BBB" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 20333", "9": "O4 O 20332" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.086 }, { "ModelName": "MLT", "Id": "6yak_7_20338", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 502 BBB", "ResidueCount": 1, "Residues": [ "MLT 502 BBB" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.883 }, { "ModelName": "MLT", "Id": "6yak_8_20351", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 503 BBB", "ResidueCount": 1, "Residues": [ "MLT 503 BBB" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 20359", "9": "O4 O 20358" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.114 }, { "ModelName": "MLT", "Id": "6yak_9_20364", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 504 BBB", "ResidueCount": 1, "Residues": [ "MLT 504 BBB" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 20366", "3": "O1 O 20365" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.998 }, { "ModelName": "MLT", "Id": "6z72_4_5249", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 402 D", "ResidueCount": 1, "Residues": [ "MLT 402 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.684 }, { "ModelName": "MLT", "Id": "7a0k_0_20758", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 20766", "9": "O4 O 20765" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.897 }, { "ModelName": "MLT", "Id": "7b2d_0_1274", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.129 }, { "ModelName": "MLT", "Id": "7b2d_1_1283", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 302 A", "ResidueCount": 1, "Residues": [ "MLT 302 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1285", "3": "O1 O 1284", "8": "O5 O 1291", "9": "O4 O 1290" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.984 }, { "ModelName": "MLT", "Id": "7bjt_0_11703", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 803 A", "ResidueCount": 1, "Residues": [ "MLT 803 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.891 }, { "ModelName": "MLT", "Id": "7bjt_1_11727", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 803 B", "ResidueCount": 1, "Residues": [ "MLT 803 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 11729", "3": "O1 O 11728", "8": "O5 O 11735", "9": "O4 O 11734" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.943 }, { "ModelName": "MLT", "Id": "7c72_0_10070", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 10078", "9": "O4 O 10077" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.97 }, { "ModelName": "MLT", "Id": "7clz_1_9116", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 403 A", "ResidueCount": 1, "Residues": [ "MLT 403 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.975 }, { "ModelName": "MLT", "Id": "7clz_2_9130", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 B", "ResidueCount": 1, "Residues": [ "MLT 402 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9132", "3": "O1 O 9131", "8": "O5 O 9138", "9": "O4 O 9137" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.832 }, { "ModelName": "MLT", "Id": "7clz_3_9143", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 B", "ResidueCount": 1, "Residues": [ "MLT 403 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 9151", "9": "O4 O 9150" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.572 }, { "ModelName": "MLT", "Id": "7clz_6_9242", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 D", "ResidueCount": 1, "Residues": [ "MLT 403 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 9244", "3": "O1 O 9243", "8": "O5 O 9250", "9": "O4 O 9249" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.95 }, { "ModelName": "MLT", "Id": "7dyc_0_1284", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 101 A", "ResidueCount": 1, "Residues": [ "MLT 101 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1286", "3": "O1 O 1285" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.027 }, { "ModelName": "MLT", "Id": "7jwf_0_18537", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 701 A", "ResidueCount": 1, "Residues": [ "MLT 701 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.067 }, { "ModelName": "MLT", "Id": "7jwf_2_18744", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 C", "ResidueCount": 1, "Residues": [ "MLT 702 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 18746", "3": "O1 O 18745" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.881 }, { "ModelName": "MLT", "Id": "7jwf_3_18834", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 701 D", "ResidueCount": 1, "Residues": [ "MLT 701 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.035 }, { "ModelName": "MLT", "Id": "7jwf_8_18961", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 749 D", "ResidueCount": 1, "Residues": [ "MLT 749 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 18963", "3": "O1 O 18962", "8": "O5 O 18969", "9": "O4 O 18968" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.069 }, { "ModelName": "MLT", "Id": "7ncc_0_4289", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.902 }, { "ModelName": "MLT", "Id": "7p5l_1_9387", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 B", "ResidueCount": 1, "Residues": [ "MLT 401 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 9395", "9": "O4 O 9394" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.929 }, { "ModelName": "MLT", "Id": "7pho_7_9635", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 605 B", "ResidueCount": 1, "Residues": [ "MLT 605 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.128 }, { "ModelName": "MLT", "Id": "7ps3_0_3388", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 H", "ResidueCount": 1, "Residues": [ "MLT 401 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3390", "3": "O1 O 3389", "8": "O5 O 3396", "9": "O4 O 3395" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.982 }, { "ModelName": "MLT", "Id": "7ps3_1_3409", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 404 H", "ResidueCount": 1, "Residues": [ "MLT 404 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3411", "3": "O1 O 3410", "8": "O5 O 3417", "9": "O4 O 3416" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.028 }, { "ModelName": "MLT", "Id": "7sfn_0_2442", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 A", "ResidueCount": 1, "Residues": [ "MLT 201 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2444", "3": "O1 O 2443", "8": "O5 O 2450", "9": "O4 O 2449" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.028 }, { "ModelName": "MLT", "Id": "7ury_0_7037", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 701 A", "ResidueCount": 1, "Residues": [ "MLT 701 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7045", "9": "O4 O 7044" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.67 }, { "ModelName": "MLT", "Id": "7ury_1_7046", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 701 D", "ResidueCount": 1, "Residues": [ "MLT 701 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7048", "3": "O1 O 7047", "8": "O5 O 7054", "9": "O4 O 7053" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.929 }, { "ModelName": "MLT", "Id": "7ury_2_7055", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 701 E", "ResidueCount": 1, "Residues": [ "MLT 701 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 7063", "9": "O4 O 7062" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.61 }, { "ModelName": "MLT", "Id": "7ury_3_7064", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 701 F", "ResidueCount": 1, "Residues": [ "MLT 701 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7066", "3": "O1 O 7065", "8": "O5 O 7072", "9": "O4 O 7071" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.908 }, { "ModelName": "MLT", "Id": "7v6u_0_2010", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 A", "ResidueCount": 1, "Residues": [ "MLT 201 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2018", "9": "O4 O 2017" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.241 }, { "ModelName": "MLT", "Id": "7v6u_1_2023", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 B", "ResidueCount": 1, "Residues": [ "MLT 201 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2025", "3": "O1 O 2024" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.249 }, { "ModelName": "MLT", "Id": "7vpc_0_3835", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 402 A", "ResidueCount": 1, "Residues": [ "MLT 402 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3837", "3": "O1 O 3836", "8": "O5 O 3843", "9": "O4 O 3842" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.035 }, { "ModelName": "MLT", "Id": "7vpc_1_3868", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 B", "ResidueCount": 1, "Residues": [ "MLT 403 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3870", "3": "O1 O 3869", "8": "O5 O 3876", "9": "O4 O 3875" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.977 }, { "ModelName": "MLT", "Id": "7ysf_0_1538", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_Foreign", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "HasAll_Substitutions" ], "MainResidue": "MLT 301 A", "ResidueCount": 2, "Residues": [ "CYS 161 A", "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 3, "ForeignAtomCount": 1, "ChiralityMismatchCount": 0, "SubstitutionCount": 1, "UnmatchedMotiveAtomCount": 1, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1540", "3": "O1 O 1539", "9": "O4 O 1545" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": { "8": "SG S 403, CYS 161 A" }, "ChiralityMismatches": {}, "Substitutions": { "8": "SG S 403" }, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [ "O5" ], "ModelRmsd": 0.765 }, { "ModelName": "MLT", "Id": "7z28_2_7250", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1022 A", "ResidueCount": 1, "Residues": [ "MLT 1022 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7252", "3": "O1 O 7251" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.07 }, { "ModelName": "MLT", "Id": "8cgp_10_14910", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1105 B", "ResidueCount": 1, "Residues": [ "MLT 1105 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 14918", "9": "O4 O 14917" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.0 }, { "ModelName": "MLT", "Id": "8cgp_3_14803", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1104 A", "ResidueCount": 1, "Residues": [ "MLT 1104 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 14805", "3": "O1 O 14804", "8": "O5 O 14811", "9": "O4 O 14810" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.917 }, { "ModelName": "MLT", "Id": "8e1u_0_71190", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1202 A", "ResidueCount": 1, "Residues": [ "MLT 1202 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.143 }, { "ModelName": "MLT", "Id": "8e1u_1_71200", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1202 B", "ResidueCount": 1, "Residues": [ "MLT 1202 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 71202", "3": "O1 O 71201", "8": "O5 O 71208", "9": "O4 O 71207" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.757 }, { "ModelName": "MLT", "Id": "8e1u_2_71210", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1202 C", "ResidueCount": 1, "Residues": [ "MLT 1202 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 71212", "3": "O1 O 71211", "8": "O5 O 71218", "9": "O4 O 71217" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.175 }, { "ModelName": "MLT", "Id": "8e1u_3_71222", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1202 F", "ResidueCount": 1, "Residues": [ "MLT 1202 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 71230", "9": "O4 O 71229" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.058 }, { "ModelName": "MLT", "Id": "8e1u_4_71232", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1202 G", "ResidueCount": 1, "Residues": [ "MLT 1202 G" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 71234", "3": "O1 O 71233", "8": "O5 O 71240", "9": "O4 O 71239" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.187 }, { "ModelName": "MLT", "Id": "8e1u_5_71242", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1202 H", "ResidueCount": 1, "Residues": [ "MLT 1202 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 71244", "3": "O1 O 71243", "8": "O5 O 71250", "9": "O4 O 71249" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.938 }, { "ModelName": "MLT", "Id": "8g1y_1_8072", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 511 A", "ResidueCount": 1, "Residues": [ "MLT 511 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 8074", "3": "O1 O 8073" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.999 }, { "ModelName": "MLT", "Id": "8hgn_0_2719", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 A", "ResidueCount": 1, "Residues": [ "MLT 401 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2727", "9": "O4 O 2726" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.834 }, { "ModelName": "MLT", "Id": "8hx6_1_10141", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.884 }, { "ModelName": "MLT", "Id": "8rdo_2_2706", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 406 A", "ResidueCount": 1, "Residues": [ "MLT 406 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2708", "3": "O1 O 2707", "8": "O5 O 2714", "9": "O4 O 2713" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.743 }, { "ModelName": "MLT", "Id": "8sfx_1_10612", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 A", "ResidueCount": 1, "Residues": [ "MLT 303 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10614", "3": "O1 O 10613" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.905 }, { "ModelName": "MLT", "Id": "8sfx_3_10667", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 B", "ResidueCount": 1, "Residues": [ "MLT 303 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10669", "3": "O1 O 10668" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.813 }, { "ModelName": "MLT", "Id": "8twn_1_2003", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 302 A", "ResidueCount": 1, "Residues": [ "MLT 302 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 2011", "9": "O4 O 2010" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.944 }, { "ModelName": "MLT", "Id": "8twt_1_3943", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 302 A", "ResidueCount": 1, "Residues": [ "MLT 302 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.906 }, { "ModelName": "MLT", "Id": "8twt_4_3978", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 302 B", "ResidueCount": 1, "Residues": [ "MLT 302 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3980", "3": "O1 O 3979" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.836 }, { "ModelName": "MLT", "Id": "8udt_0_13603", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1001 A", "ResidueCount": 1, "Residues": [ "MLT 1001 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 13611", "9": "O4 O 13610" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.94 }, { "ModelName": "MLT", "Id": "8udt_1_13612", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1002 A", "ResidueCount": 1, "Residues": [ "MLT 1002 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 13614", "3": "O1 O 13613" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.9 }, { "ModelName": "MLT", "Id": "8v3m_0_4068", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv", "Has_AlternateLocation" ], "MainResidue": "MLT 701 A", "ResidueCount": 1, "Residues": [ "MLT 701 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4072", "3": "O1 O 4070" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 1, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.972 }, { "ModelName": "MLT", "Id": "8v3m_1_4086", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4088", "3": "O1 O 4087" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.884 }, { "ModelName": "MLT", "Id": "8v3n_0_3911", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3913", "3": "O1 O 3912" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.775 }, { "ModelName": "MLT", "Id": "8v3n_1_3920", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 703 A", "ResidueCount": 1, "Residues": [ "MLT 703 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3928", "9": "O4 O 3927" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.043 }, { "ModelName": "MLT", "Id": "8v3o_0_3819", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3821", "3": "O1 O 3820", "8": "O5 O 3827", "9": "O4 O 3826" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.088 }, { "ModelName": "MLT", "Id": "8v3o_1_3828", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 703 A", "ResidueCount": 1, "Residues": [ "MLT 703 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 3836", "9": "O4 O 3835" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.24 }, { "ModelName": "MLT", "Id": "8zte_2_6264", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 603 A", "ResidueCount": 1, "Residues": [ "MLT 603 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.629 }, { "ModelName": "MLT", "Id": "8ztg_6_6507", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 604 B", "ResidueCount": 1, "Residues": [ "MLT 604 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6509", "3": "O1 O 6508" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.95 }, { "ModelName": "MLT", "Id": "8zti_0_6057", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 601 A", "ResidueCount": 1, "Residues": [ "MLT 601 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6065", "9": "O4 O 6064" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.184 }, { "ModelName": "MLT", "Id": "8zti_2_6119", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 603 A", "ResidueCount": 1, "Residues": [ "MLT 603 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6121", "3": "O1 O 6120" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.162 }, { "ModelName": "MLT", "Id": "8zti_4_6164", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 601 B", "ResidueCount": 1, "Residues": [ "MLT 601 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6166", "3": "O1 O 6165" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.137 }, { "ModelName": "MLT", "Id": "8ztj_1_6214", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 602 A", "ResidueCount": 1, "Residues": [ "MLT 602 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6222", "9": "O4 O 6221" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.892 }, { "ModelName": "MLT", "Id": "8ztl_3_6266", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 602 B", "ResidueCount": 1, "Residues": [ "MLT 602 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 6274", "9": "O4 O 6273" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.295 }, { "ModelName": "MLT", "Id": "9at0_2_4661", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 403 B", "ResidueCount": 1, "Residues": [ "MLT 403 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 4669", "9": "O4 O 4668" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.964 }, { "ModelName": "MLT", "Id": "9g3q_0_6464", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 501 A", "ResidueCount": 1, "Residues": [ "MLT 501 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.111 }, { "ModelName": "MLT", "Id": "9ghl_0_11068", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.059 }, { "ModelName": "MLT", "Id": "9ghl_10_11160", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 F", "ResidueCount": 1, "Residues": [ "MLT 301 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 11168", "9": "O4 O 11167" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.044 }, { "ModelName": "MLT", "Id": "9ghl_2_11090", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.061 }, { "ModelName": "MLT", "Id": "9ghl_4_11106", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 C", "ResidueCount": 1, "Residues": [ "MLT 301 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 11114", "9": "O4 O 11113" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.037 }, { "ModelName": "MLT", "Id": "9ghl_6_11122", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 D", "ResidueCount": 1, "Residues": [ "MLT 301 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.034 }, { "ModelName": "MLT", "Id": "9ghl_8_11144", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 301 E", "ResidueCount": 1, "Residues": [ "MLT 301 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.04 }, { "ModelName": "MLT", "Id": "9gk6_0_7052", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 1002 A", "ResidueCount": 1, "Residues": [ "MLT 1002 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 4, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 7054", "3": "O1 O 7053" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.893 }, { "ModelName": "MLT", "Id": "9gk6_1_7061", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1003 A", "ResidueCount": 1, "Residues": [ "MLT 1003 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.88 }, { "ModelName": "MLT", "Id": "9gpa_8_9480", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 609 A", "ResidueCount": 1, "Residues": [ "MLT 609 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.107 }, { "ModelName": "MLT", "Id": "9h4t_11_12695", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 913 A", "ResidueCount": 1, "Residues": [ "MLT 913 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 12697", "3": "O1 O 12696" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.782 }, { "ModelName": "MLT", "Id": "9h4t_12_12704", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 914 A", "ResidueCount": 1, "Residues": [ "MLT 914 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "8": "O5 O 12712", "9": "O4 O 12711" }, "NameMismatchFlags": { "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.733 }, { "ModelName": "MLT", "Id": "9h4t_13_12713", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 915 A", "ResidueCount": 1, "Residues": [ "MLT 915 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 12715", "3": "O1 O 12714", "8": "O5 O 12721", "9": "O4 O 12720" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.041 }, { "ModelName": "MLT", "Id": "9h4t_14_12722", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 916 A", "ResidueCount": 1, "Residues": [ "MLT 916 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 12724", "3": "O1 O 12723", "8": "O5 O 12730", "9": "O4 O 12729" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.119 }, { "ModelName": "MLT", "Id": "9h4t_27_12911", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 908 B", "ResidueCount": 1, "Residues": [ "MLT 908 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 12913", "3": "O1 O 12912" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.98 }, { "ModelName": "MLT", "Id": "9h4t_28_12920", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 909 B", "ResidueCount": 1, "Residues": [ "MLT 909 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.047 }, { "ModelName": "MLT", "Id": "9h4t_29_12929", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 910 B", "ResidueCount": 1, "Residues": [ "MLT 910 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 12931", "3": "O1 O 12930" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.836 }, { "ModelName": "MLT", "Id": "9hhj_1_4801", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 702 A", "ResidueCount": 1, "Residues": [ "MLT 702 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4803", "3": "O1 O 4802", "8": "O5 O 4809", "9": "O4 O 4808" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.128 }, { "ModelName": "MLT", "Id": "9hhj_2_4810", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 703 A", "ResidueCount": 1, "Residues": [ "MLT 703 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 4812", "3": "O1 O 4811" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.092 }, { "ModelName": "MLT", "Id": "9hi0_0_10688", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 401 A", "ResidueCount": 1, "Residues": [ "MLT 401 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 10690", "3": "O1 O 10689" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.857 }, { "ModelName": "MLT", "Id": "9jc7_1_6755", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 509 A", "ResidueCount": 1, "Residues": [ "MLT 509 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 6757", "3": "O1 O 6756" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.35 }, { "ModelName": "MLT", "Id": "9kla_1_1098", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 303 A", "ResidueCount": 1, "Residues": [ "MLT 303 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1100", "3": "O1 O 1099", "8": "O5 O 1106", "9": "O4 O 1105" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.791 }, { "ModelName": "MLT", "Id": "9kup_0_2046", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 A", "ResidueCount": 1, "Residues": [ "MLT 301 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2048", "3": "O1 O 2047" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.239 }, { "ModelName": "MLT", "Id": "9kup_1_2060", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 301 B", "ResidueCount": 1, "Residues": [ "MLT 301 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 2062", "3": "O1 O 2061", "8": "O5 O 2068", "9": "O4 O 2067" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.219 }, { "ModelName": "MLT", "Id": "9lbg_0_5402", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 601 B", "ResidueCount": 1, "Residues": [ "MLT 601 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 5404", "3": "O1 O 5403" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.026 }, { "ModelName": "MLT", "Id": "9lqd_0_1007", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 201 A", "ResidueCount": 1, "Residues": [ "MLT 201 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.957 }, { "ModelName": "MLT", "Id": "9pct_13_3828", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 319 A", "ResidueCount": 1, "Residues": [ "MLT 319 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 3830", "3": "O1 O 3829", "8": "O5 O 3836", "9": "O4 O 3835" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "9": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "8": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.696 }, { "ModelName": "MLT", "Id": "9pct_25_4122", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 333 A", "ResidueCount": 1, "Residues": [ "MLT 333 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.458 }, { "ModelName": "MLT", "Id": "9pct_8_3672", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 311 A", "ResidueCount": 1, "Residues": [ "MLT 311 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.942 }, { "ModelName": "MLT", "Id": "9r84_0_1912", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 A", "ResidueCount": 1, "Residues": [ "MLT 201 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 1914", "3": "O1 O 1913" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.017 }, { "ModelName": "MLT", "Id": "9r84_2_1934", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 202 B", "ResidueCount": 1, "Residues": [ "MLT 202 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.058 }, { "ModelName": "MLT", "Id": "9rti_2_3374", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors" ], "MainResidue": "MLT 1015 A", "ResidueCount": 1, "Residues": [ "MLT 1015 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 0, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": {}, "NameMismatchFlags": {}, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.619 }, { "ModelName": "MLT", "Id": "9uge_0_5349", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "MLT 201 D", "ResidueCount": 1, "Residues": [ "MLT 201 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2 O 5351", "3": "O1 O 5350" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 0.274 } ], "Warnings": { "3ird": [ "Residue MLT 300 A: Skipped alternate location(s) 'B'." ], "3ird_0_2201": [ "Residue MLT 300 A: Skipped alternate location(s) 'B'." ], "6e9p": [ "Residue MLT 502 B: Skipped alternate location(s) 'B'." ], "6e9p_3_19267": [ "Residue MLT 502 B: Skipped alternate location(s) 'B'." ], "6hke_1_6622": [ "MLT: Model/Input Motif bond discrepancy: different bond count, extra bond C1 C 6622-O1 O 6623 (1.264 ang), extra bond O2 O 6624-O1B O 6633 (0.817 ang), extra bond C2 C 6625-O3 O 6626 (1.455 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "3dr3": [ "Residue MLT 337 A: Skipped alternate location(s) 'B'." ], "3dr3_0_2554": [ "Residue MLT 337 A: Skipped alternate location(s) 'B'." ], "5iqx": [ "Residue MLT 202 A: Skipped alternate location(s) 'B'." ], "5iqx_1_1500": [ "Residue MLT 202 A: Skipped alternate location(s) 'B'." ], "6qnk": [ "Residue MLT 305 B: Skipped alternate location(s) 'B'." ], "6qnk_3_6840": [ "Residue MLT 305 B: Skipped alternate location(s) 'B'." ], "8v3m": [ "Residue MLT 701 A: Skipped alternate location(s) 'B'." ], "8v3m_0_4068": [ "Residue MLT 701 A: Skipped alternate location(s) 'B'." ] }, "Errors": {} } ] }