{ "Version": "1.1.23.12.27b", "Errors": {}, "ValidationType": "Database", "MotiveCount": 4474, "Models": [ { "ModelName": "NAP", "LongName": "nadp nicotinamide-adenine-dinucleotide phosphate", "Formula": "C{21}H{28}N{7}O{17}P{3}", "CoordinateSource": "CifModel", "ModelNames": { "1": "PA", "2": "O1A", "3": "O2A", "4": "O5B", "5": "C5B", "6": "C4B", "7": "O4B", "8": "C3B", "9": "O3B", "10": "C2B", "11": "O2B", "12": "C1B", "13": "N9A", "14": "C8A", "15": "N7A", "16": "C5A", "17": "C6A", "18": "N6A", "19": "N1A", "20": "C2A", "21": "N3A", "22": "C4A", "23": "O3", "24": "PN", "25": "O1N", "26": "O2N", "27": "O5D", "28": "C5D", "29": "C4D", "30": "O4D", "31": "C3D", "32": "O3D", "33": "C2D", "34": "O2D", "35": "C1D", "36": "N1N", "37": "C2N", "38": "C3N", "39": "C7N", "40": "O7N", "41": "N7N", "42": "C4N", "43": "C5N", "44": "C6N", "45": "P2B", "46": "O1X", "47": "O2X", "48": "O3X" }, "ModelAtomTypes": { "1": "P", "2": "O", "3": "O", "4": "O", "5": "C", "6": "C", "7": "O", "8": "C", "9": "O", "10": "C", "11": "O", "12": "C", "13": "N", "14": "C", "15": "N", "16": "C", "17": "C", "18": "N", "19": "N", "20": "C", "21": "N", "22": "C", "23": "O", "24": "P", "25": "O", "26": "O", "27": "O", "28": "C", "29": "C", "30": "O", "31": "C", "32": "O", "33": "C", "34": "O", "35": "C", "36": "N", "37": "C", "38": "C", "39": "C", "40": "O", "41": "N", "42": "C", "43": "C", "44": "C", "45": "P", "46": "O", "47": "O", "48": "O" }, "PlanarAtoms": [], "ChiralAtoms": [ 1, 6, 8, 10, 12, 29, 31, 33, 35 ], "ChiralAtomsInfo": { "Planar": [], "Carbon": [ 6, 8, 10, 12, 29, 31, 33, 35 ], "Metal": [], "NonSingleBond": [ 1 ] }, "AtomNamingEquivalence": { "Charge": { "C5B": "C5B", "C5D": "C5B", "H51A": "H51A", "H51N": "H51A", "H52A": "H51A", "H52N": "H51A", "H3D": "H3D", "H4B": "H3D", "H4D": "H3D", "H61A": "H61A", "H62A": "H61A", "H71N": "H71N", "H72N": "H71N", "HO3A": "HO3A", "HO3N": "HO3A", "HOA2": "HOA2", "HOP2": "HOA2", "HOP3": "HOA2", "O3B": "O3B", "O3D": "O3B", "O2X": "O2X", "O3X": "O2X" }, "ChargeIgnoreBondTypes": { "O2B": "O2B", "O5B": "O2B", "O1A": "O1A", "O1N": "O1A", "O2A": "O1A", "O2N": "O1A", "O1X": "O1X", "O2X": "O1X", "O3X": "O1X" } }, "ModelBonds": { "1-2": 2, "1-3": 1, "1-4": 1, "1-23": 1, "4-5": 1, "5-6": 1, "6-7": 1, "6-8": 1, "7-12": 1, "8-9": 1, "8-10": 1, "10-11": 1, "10-12": 1, "11-45": 1, "12-13": 1, "13-14": 1, "13-22": 1, "14-15": 2, "15-16": 1, "16-17": 1, "16-22": 2, "17-18": 1, "17-19": 2, "19-20": 1, "20-21": 2, "21-22": 1, "23-24": 1, "24-25": 2, "24-26": 1, "24-27": 1, "27-28": 1, "28-29": 1, "29-30": 1, "29-31": 1, "30-35": 1, "31-32": 1, "31-33": 1, "33-34": 1, "33-35": 1, "35-36": 1, "36-37": 1, "36-44": 2, "37-38": 2, "38-39": 1, "38-42": 1, "39-40": 2, "39-41": 1, "42-43": 2, "43-44": 1, "45-46": 2, "45-47": 1, "45-48": 1 }, "Summary": { "Analyzed": 4474, "HasAll": 4142, "HasAll_BadChirality": 1368, "HasAll_BadChirality_Carbon": 32, "HasAll_BadChirality_Metal": 0, "HasAll_BadChirality_NonSingleBond": 1344, "HasAll_BadChirality_Other": 0, 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{ "ModelName": "NAP", "Id": "4nmj_7_30616", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 500 H", "ResidueCount": 1, "Residues": [ "NAP 500 H" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 30618", "3": "O1A O 30617", "47": "O3X O 30663", "48": "O2X O 30662" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "47": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.067 }, { "ModelName": "NAP", "Id": "4nx6_1_2546", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_NonSingleBond", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 203 A", "ResidueCount": 1, "Residues": [ "NAP 203 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 7, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 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"HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 204 A", "ResidueCount": 1, "Residues": [ "NAP 204 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 7, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 2549", "3": "O1A O 2548", "25": "O2N O 2572", "26": "O1N O 2571", "46": "O3X O 2594", "47": "O1X O 2592", "48": "O2X O 2593" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "26": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "25": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "47": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "46": [ 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"O2N O 3967", "26": "O1N O 3966", "46": "O3X O 3989", "48": "O1X O 3987" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "26": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "25": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "46": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.116 }, { "ModelName": "NAP", "Id": "4nz9_3_4013", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 302 B", "ResidueCount": 1, "Residues": [ "NAP 302 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"NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.083 }, { "ModelName": "NAP", "Id": "9xax_7_21069", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 302 D", "ResidueCount": 1, "Residues": [ "NAP 302 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "25": "O2N O 21094", "26": "O1N O 21093" }, "NameMismatchFlags": { "26": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "25": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.106 }, { "ModelName": "NAP", "Id": "9xax_9_21125", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 302 E", "ResidueCount": 1, "Residues": [ "NAP 302 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "25": "O2N O 21150", "26": "O1N O 21149", "47": "O3X O 21172", "48": "O2X O 21171" }, "NameMismatchFlags": { "26": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "25": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "47": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.103 }, { "ModelName": "NAP", "Id": "9yha_0_6313", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_NonSingleBond", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 1001 A", "ResidueCount": 1, "Residues": [ "NAP 1001 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 3, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "46": "O3X O 6360", "47": "O1X O 6358", "48": "O2X O 6359" }, "NameMismatchFlags": { "47": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "46": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "1": "PA P 6313" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 2.729 }, { "ModelName": "NAP", "Id": "9yha_1_6361", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_NonSingleBond", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 1001 B", "ResidueCount": 1, "Residues": [ "NAP 1001 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 3, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "46": "O3X O 6408", "47": "O1X O 6406", "48": "O2X O 6407" }, "NameMismatchFlags": { "47": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "46": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "1": "PA P 6361" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 2.734 }, { "ModelName": "NAP", "Id": "9yhb_0_6313", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_NonSingleBond", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 1001 A", "ResidueCount": 1, "Residues": [ "NAP 1001 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 3, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "46": "O3X O 6360", "47": "O1X O 6358", "48": "O2X O 6359" }, "NameMismatchFlags": { "47": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "46": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "1": "PA P 6313" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 2.685 }, { "ModelName": "NAP", "Id": "9yhb_1_6361", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_NonSingleBond", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 1001 B", "ResidueCount": 1, "Residues": [ "NAP 1001 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 3, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "46": "O3X O 6408", "47": "O1X O 6406", "48": "O2X O 6407" }, "NameMismatchFlags": { "47": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "46": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "1": "PA P 6361" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 2.69 }, { "ModelName": "NAP", "Id": "9yit_11_21596", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 502 F", "ResidueCount": 1, "Residues": [ "NAP 502 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 21598", "3": "O1A O 21597", "46": "O2X O 21642", "47": "O1X O 21641" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "47": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "46": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.081 }, { "ModelName": "NAP", "Id": "9yit_1_21291", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 502 A", "ResidueCount": 1, "Residues": [ "NAP 502 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 21293", "3": "O1A O 21292", "47": "O3X O 21338", "48": "O2X O 21337" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "47": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.075 }, { "ModelName": "NAP", "Id": "9yit_3_21352", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 502 B", "ResidueCount": 1, "Residues": [ "NAP 502 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 21354", "3": "O1A O 21353", "47": "O3X O 21399", "48": "O2X O 21398" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "47": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.111 }, { "ModelName": "NAP", "Id": "9yit_5_21413", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 502 C", "ResidueCount": 1, "Residues": [ "NAP 502 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 21415", "3": "O1A O 21414", "47": "O3X O 21460", "48": "O2X O 21459" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "47": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.056 }, { "ModelName": "NAP", "Id": "9yit_7_21474", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 502 D", "ResidueCount": 1, "Residues": [ "NAP 502 D" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 21476", "3": "O1A O 21475" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.078 }, { "ModelName": "NAP", "Id": "9yit_9_21535", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "NAP 502 E", "ResidueCount": 1, "Residues": [ "NAP 502 E" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2A O 21537", "3": "O1A O 21536", "47": "O3X O 21582", "48": "O2X O 21581" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "48": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "47": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 3.076 } ], "Warnings": { "5kvs": [ "Residue NAP 401 B: Skipped alternate location(s) 'B'." ], "5kvs_2_11548": [ "Residue NAP 401 B: Skipped alternate location(s) 'B'." ], "1rx9": [ "Residue NAP 164 A: Skipped alternate location(s) '2'." ], "1rx9_0_1272": [ "Residue NAP 164 A: Skipped alternate location(s) '2'." ], "6u4j": [ "Residue NAP 501 A: Skipped alternate location(s) 'B'." ], "6u4j_0_6650": [ "Residue NAP 501 A: Skipped alternate location(s) 'B'." ], "6u5u_0_28167": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond CD1 C 3959-O5D O 28193 (1.588 ang), extra bond CG2 C 5358-C3N C 28204 (1.410 ang), extra bond CD1 C 5359-C2N C 28203 (1.551 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "6u5w_0_27356": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond CG C 4473-CD2 C 4475 (1.520 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "5ldq": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'.", "Residue NAP 201 C: Skipped alternate location(s) 'B'." ], "5ldq_0_6060": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "5ldq_5_6269": [ "Residue NAP 201 C: Skipped alternate location(s) 'B'." ], "4r3n": [ "Residue NAP 403 B: 'NAP 402 B' and 'NAP 403 B' are too close to each other (0.562 ang). 'NAP 403 B' ignored." ], "4r4j": [ "Residue NAP 403 B: 'NAP 402 B' and 'NAP 403 B' are too close to each other (0.345 ang). 'NAP 403 B' ignored." ], "4r54": [ "Residue NAP 403 B: 'NAP 402 B' and 'NAP 403 B' are too close to each other (0.433 ang). 'NAP 403 B' ignored." ], "4r5h": [ "Residue NAP 405 B: Skipped alternate location(s) 'B'." ], "4r5h_2_5588": [ "Residue NAP 405 B: Skipped alternate location(s) 'B'." ], "2kgk": [ "Line 5201: Only the first model was loaded (the input contains multiple models)." ], "1tll_2_10002": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond O2A O 10004-O3D O 10033 (1.552 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1tll_5_10138": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond O2A O 10140-O3D O 10169 (1.425 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1d4o_0_1344": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond C4B C 1349-O3B O 1352 (1.656 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1ddi_1_2950": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond C8A C 2962-N7A N 2963 (1.334 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "3h7r": [ "Residue NAP 401 A: Skipped alternate location(s) 'B'." ], "3h7r_0_2586": [ "Residue NAP 401 A: Skipped alternate location(s) 'B'." ], "1e6u_0_2519": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond C2B C 2528-O O 2958 (0.848 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "3icc_0_3867": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond O2N O 3892-O O 4113 (0.771 ang), extra bond O2X O 3913-O3 O 3923 (1.172 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1i36_0_3927": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond C4B C 3932-O3B O 3935 (1.699 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1i36_1_3975": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond C4B C 3980-O3B O 3983 (1.684 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1w6u": [ "Residue NAP 1329 A: Skipped alternate location(s) 'B'.", "Residue NAP 1330 B: Skipped alternate location(s) 'B'.", "Residue NAP 1329 C: Skipped alternate location(s) 'B'.", "Residue NAP 1328 D: Skipped alternate location(s) 'B'." ], "1w6u_0_8617": [ "Residue NAP 1329 A: Skipped alternate location(s) 'B'." ], "1w6u_2_8728": [ "Residue NAP 1330 B: Skipped alternate location(s) 'B'." ], "1w6u_4_8839": [ "Residue NAP 1329 C: Skipped alternate location(s) 'B'." ], "1w6u_6_8950": [ "Residue NAP 1328 D: Skipped alternate location(s) 'B'." ], "1lwi": [ "Residue NAP 350 A: Skipped alternate location(s) 'B'.", "Residue NAP 350 B: Skipped alternate location(s) 'B'." ], "1lwi_0_4907": [ "Residue NAP 350 A: Skipped alternate location(s) 'B'." ], "1lwi_1_5003": [ "Residue NAP 350 B: Skipped alternate location(s) 'B'." ], "2bru": [ "Line 13848: Only the first model was loaded (the input contains multiple models)." ], "1qga_1_4855": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond CG C 2438-CD1 C 2439 (1.384 ang), extra bond CD2 C 2440-C2N C 4891 (1.126 ang), extra bond NE1 N 2441-C2D C 4887 (0.996 ang), extra bond CE2 C 2442-N1N N 4890 (0.850 ang), extra bond C2D C 4887-O2D O 4888 (1.427 ang), extra bond N1N N 4890-C2N C 4891 (1.395 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1qga_3_4956": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond CG C 4787-CD1 C 4788 (1.377 ang), extra bond CD1 C 4788-O2D O 4989 (1.554 ang), extra bond CD2 C 4789-CE3 C 4792 (1.398 ang), extra bond NE1 N 4790-C2D C 4988 (1.205 ang), extra bond CE2 C 4791-C2N C 4992 (1.170 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "4iiv_1_7121": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond O1X O 7166-O O 7401 (1.335 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "2esd": [ "Residue NAP 1476 A: Skipped alternate location(s) 'B'.", "Residue NAP 2476 B: Skipped alternate location(s) 'B'.", "Residue NAP 3476 C: Skipped alternate location(s) 'B'.", "Residue NAP 4476 D: Skipped alternate location(s) 'B'." ], "2esd_1_14393": [ "Residue NAP 1476 A: Skipped alternate location(s) 'B'." ], "2esd_3_14499": [ "Residue NAP 2476 B: Skipped alternate location(s) 'B'." ], "2esd_5_14605": [ "Residue NAP 3476 C: Skipped alternate location(s) 'B'." ], "2esd_7_14711": [ "Residue NAP 4476 D: Skipped alternate location(s) 'B'." ], "2f1k": [ "Residue NAP 1350 A: Skipped alternate location(s) 'B'." ], "2f1k_2_8640": [ "Residue NAP 1350 A: Skipped alternate location(s) 'B'." ], "6h3f": [ "Residue NAP 600 A: Skipped alternate location(s) 'B'." ], "6h3f_0_3485": [ "Residue NAP 600 A: Skipped alternate location(s) 'B'." ], "4kjj": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4kjj_1_5479": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4kjk": [ "Residue NAP 204 A: Skipped alternate location(s) 'B'." ], "4kjk_1_5872": [ "Residue NAP 204 A: Skipped alternate location(s) 'B'." ], "4kjl": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4kjl_1_5807": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "2q46": [ "Line 5301: Only the first model was loaded (the input contains multiple models)." ], "2q4b": [ "Line 5127: Only the first model was loaded (the input contains multiple models)." ], "3nrr": [ "Residue NAP 515 A: Skipped alternate location(s) 'B'.", "Residue NAP 515 B: Skipped alternate location(s) 'B'." ], "3nrr_0_8006": [ "Residue NAP 515 A: Skipped alternate location(s) 'B'." ], "3nrr_4_8234": [ "Residue NAP 515 B: Skipped alternate location(s) 'B'." ], "4m7u": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "4m7u_0_1363": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "4m7v": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "4m7v_1_1407": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "3rho": [ "Residue NAP 903 A: Skipped alternate location(s) 'B'.", "Residue NAP 903 B: Skipped alternate location(s) 'B'.", "Residue NAP 903 C: Skipped alternate location(s) 'B'.", "Residue NAP 903 D: Skipped alternate location(s) 'B'." ], "3rho_0_15625": [ "Residue NAP 903 A: Skipped alternate location(s) 'B'." ], "3rho_1_15722": [ "Residue NAP 903 B: Skipped alternate location(s) 'B'." ], "3rho_2_15824": [ "Residue NAP 903 C: Skipped alternate location(s) 'B'." ], "3rho_3_15926": [ "Residue NAP 903 D: Skipped alternate location(s) 'B'." ], "3sc6": [ "Residue NAP 285 B: Skipped alternate location(s) 'B'." ], "3sc6_1_13731": [ "Residue NAP 285 B: Skipped alternate location(s) 'B'." ], "3uxv": [ "Residue NAP 301 B: Skipped alternate location(s) 'B'.", "Residue NAP 301 D: Skipped alternate location(s) 'B'." ], "3uxv_1_8995": [ "Residue NAP 301 B: Skipped alternate location(s) 'B'." ], "3uxv_3_9101": [ "Residue NAP 301 D: Skipped alternate location(s) 'B'." ], "4pss": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4pss_2_5614": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4pst": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4pst_2_6779": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "4p3q": [ "Line 7712: Only the first model was loaded (the input contains multiple models)." ], "4ptj": [ "Line 7621: Only the first model was loaded (the input contains multiple models)." ], "4pth": [ "Line 8692: Only the first model was loaded (the input contains multiple models)." ], "4p3r": [ "Line 7744: Only the first model was loaded (the input contains multiple models)." ], "4p3r_1_2542": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond C4D C 2570-C3D C 2572 (1.484 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "5vw2": [ "Residue NAP 404 A: Skipped alternate location(s) 'B'." ], "5vw2_1_5203": [ "Residue NAP 404 A: Skipped alternate location(s) 'B'." ], "5vw3": [ "Residue NAP 403 A: Skipped alternate location(s) 'B'." ], "5vw3_1_5082": [ "Residue NAP 403 A: Skipped alternate location(s) 'B'." ], "5vw8": [ "Residue NAP 402 A: Skipped alternate location(s) 'B'." ], "5vw8_0_4910": [ "Residue NAP 402 A: Skipped alternate location(s) 'B'." ], "6y4d": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'.", "Residue NAP 301 B: Skipped alternate location(s) 'B'." ], "6y4d_0_3890": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'." ], "6y4d_1_3965": [ "Residue NAP 301 B: Skipped alternate location(s) 'B'." ], "4zic": [ "Residue NAP 402 A: Skipped alternate location(s) 'B'." ], "4zic_0_31658": [ "Residue NAP 402 A: Skipped alternate location(s) 'B'." ], "5aov": [ "Residue NAP 1335 A: Skipped alternate location(s) 'B'." ], "5aov_0_5677": [ "Residue NAP 1335 A: Skipped alternate location(s) 'B'." ], "5cc9": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "5cc9_0_2761": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "5dp2_0_2839": [ "NAP: Model/Input Motif bond discrepancy: different bond count, extra bond O2X O 2885-O O 2890 (1.507 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "5ejh": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'." ], "5ejh_0_2081": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'." ], "5euy": [ "Residue NAP 500 A: Skipped alternate location(s) 'B'.", "Residue NAP 500 B: Skipped alternate location(s) 'B'.", "Residue NAP 500 C: Skipped alternate location(s) 'B'.", "Residue NAP 500 D: Skipped alternate location(s) 'B'.", "Residue NAP 500 E: Skipped alternate location(s) 'B'.", "Residue NAP 500 F: Skipped alternate location(s) 'B'.", "Residue NAP 500 G: Skipped alternate location(s) 'B'.", "Residue NAP 500 H: Skipped alternate location(s) 'B'." ], "5euy_0_30355": [ "Residue NAP 500 A: Skipped alternate location(s) 'B'." ], "5euy_1_30406": [ "Residue NAP 500 B: Skipped alternate location(s) 'B'." ], "5euy_2_30457": [ "Residue NAP 500 C: Skipped alternate location(s) 'B'." ], "5euy_3_30508": [ "Residue NAP 500 D: Skipped alternate location(s) 'B'." ], "5euy_4_30559": [ "Residue NAP 500 E: Skipped alternate location(s) 'B'." ], "5euy_5_30610": [ "Residue NAP 500 F: Skipped alternate location(s) 'B'." ], "5euy_6_30661": [ "Residue NAP 500 G: Skipped alternate location(s) 'B'." ], "5euy_7_30712": [ "Residue NAP 500 H: Skipped alternate location(s) 'B'." ], "5eyh": [ "Residue NAP 306 A: Skipped alternate location(s) 'B'." ], "5eyh_0_4161": [ "Residue NAP 306 A: Skipped alternate location(s) 'B'." ], "5f2c": [ "Residue NAP 501 A: Skipped alternate location(s) 'B'.", "Residue NAP 500 C: Skipped alternate location(s) 'B'.", "Residue NAP 500 D: Skipped alternate location(s) 'B'.", "Residue NAP 500 E: Skipped alternate location(s) 'B'.", "Residue NAP 500 F: Skipped alternate location(s) 'B'.", "Residue NAP 500 G: Skipped alternate location(s) 'B'.", "Residue NAP 500 H: Skipped alternate location(s) 'B'." ], "5f2c_0_30691": [ "Residue NAP 501 A: Skipped alternate location(s) 'B'." ], "5f2c_2_30787": [ "Residue NAP 500 C: Skipped alternate location(s) 'B'." ], "5f2c_3_30838": [ "Residue NAP 500 D: Skipped alternate location(s) 'B'." ], "5f2c_4_30889": [ "Residue NAP 500 E: Skipped alternate location(s) 'B'." ], "5f2c_5_30940": [ "Residue NAP 500 F: Skipped alternate location(s) 'B'." ], "5f2c_6_30991": [ "Residue NAP 500 G: Skipped alternate location(s) 'B'." ], "5f2c_7_31042": [ "Residue NAP 500 H: Skipped alternate location(s) 'B'." ], "5fi3": [ "Residue NAP 402 B: Skipped alternate location(s) 'B'." ], "5fi3_1_5603": [ "Residue NAP 402 B: Skipped alternate location(s) 'B'." ], "7qvs": [ "Residue NAP 402 B: Skipped alternate location(s) 'B'." ], "7qvs_1_4343": [ "Residue NAP 402 B: Skipped alternate location(s) 'B'." ], "9feb": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'." ], "9feb_0_16077": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'." ], "6c55": [ "Residue NAP 403 A: Skipped alternate location(s) 'B'." ], "6c55_0_5128": [ "Residue NAP 403 A: Skipped alternate location(s) 'B'." ], "6c7n": [ "Residue NAP 1001 C: Skipped alternate location(s) 'B'.", "Residue NAP 1001 D: Skipped alternate location(s) 'B'." ], "6c7n_3_16920": [ "Residue NAP 1001 C: Skipped alternate location(s) 'B'." ], "6c7n_4_17034": [ "Residue NAP 1001 D: Skipped alternate location(s) 'B'." ], "6tlk": [ "Residue NAP 401 F: Skipped alternate location(s) 'B'." ], "6tlk_7_12950": [ "Residue NAP 401 F: Skipped alternate location(s) 'B'." ], "7a7b": [ "Residue NAP 402 D: Skipped alternate location(s) 'B'." ], "7a7b_5_20285": [ "Residue NAP 402 D: Skipped alternate location(s) 'B'." ], "7apr": [ "Residue NAP 402 D: Skipped alternate location(s) 'B'.", "Residue NAP 402 F: Skipped alternate location(s) 'B'." ], "7apr_5_20533": [ "Residue NAP 402 D: Skipped alternate location(s) 'B'." ], "7apr_8_20735": [ "Residue NAP 402 F: Skipped alternate location(s) 'B'." ], "7bsx": [ "Residue NAP 401 A: Skipped alternate location(s) 'B'.", "Residue NAP 401 B: Skipped alternate location(s) 'B'.", "Residue NAP 401 C: Skipped alternate location(s) 'B'.", "Residue NAP 401 D: Skipped alternate location(s) 'B'.", "Residue NAP 401 E: Skipped alternate location(s) 'B'.", "Residue NAP 401 F: Skipped alternate location(s) 'B'.", "Residue NAP 401 G: Skipped alternate location(s) 'B'.", "Residue NAP 401 H: Skipped alternate location(s) 'B'." ], "7bsx_0_18694": [ "Residue NAP 401 A: Skipped alternate location(s) 'B'." ], "7bsx_1_18790": [ "Residue NAP 401 B: Skipped alternate location(s) 'B'." ], "7bsx_2_18886": [ "Residue NAP 401 C: Skipped alternate location(s) 'B'." ], "7bsx_3_18982": [ "Residue NAP 401 D: Skipped alternate location(s) 'B'." ], "7bsx_4_19078": [ "Residue NAP 401 E: Skipped alternate location(s) 'B'." ], "7bsx_5_19174": [ "Residue NAP 401 F: Skipped alternate location(s) 'B'." ], "7bsx_6_19270": [ "Residue NAP 401 G: Skipped alternate location(s) 'B'." ], "7bsx_7_19366": [ "Residue NAP 401 H: Skipped alternate location(s) 'B'." ], "7d4x": [ "Line 2570: Only the first model was loaded (the input contains multiple models)." ], "7d49": [ "Line 2604: Only the first model was loaded (the input contains multiple models)." ], "7d6g": [ "Residue NAP 203 A: Skipped alternate location(s) 'B'." ], "7d6g_1_2824": [ "Residue NAP 203 A: Skipped alternate location(s) 'B'." ], "8bcj": [ "Residue NAP 302 A: Skipped alternate location(s) 'B'.", "Residue NAP 302 D: Skipped alternate location(s) 'B'." ], "8bcj_1_16868": [ "Residue NAP 302 A: Skipped alternate location(s) 'B'." ], "8bcj_7_17274": [ "Residue NAP 302 D: Skipped alternate location(s) 'B'." ], "8ctr": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'.", "Residue NAP 302 B: Skipped alternate location(s) 'B'.", "Residue NAP 301 C: Skipped alternate location(s) 'B'.", "Residue NAP 301 D: Skipped alternate location(s) 'B'." ], "8ctr_0_9240": [ "Residue NAP 301 A: Skipped alternate location(s) 'B'." ], "8ctr_1_9353": [ "Residue NAP 302 B: Skipped alternate location(s) 'B'." ], "8ctr_2_9455": [ "Residue NAP 301 C: Skipped alternate location(s) 'B'." ], "8ctr_3_9561": [ "Residue NAP 301 D: Skipped alternate location(s) 'B'." ], "8uvz": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "8uvz_1_3596": [ "Residue NAP 202 A: Skipped alternate location(s) 'B'." ], "8wpi": [ "Residue NAP 403 A: Skipped alternate location(s) 'B'." ], "8wpi_2_4931": [ "Residue NAP 403 A: Skipped alternate location(s) 'B'." ], "9ni0": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'.", "Residue NAP 201 B: Skipped alternate location(s) 'B'." ], "9ni0_0_2612": [ "Residue NAP 201 A: Skipped alternate location(s) 'B'." ], "9ni0_1_2709": [ "Residue NAP 201 B: Skipped alternate location(s) 'B'." ] }, "Errors": {} } ] }