{ "Version": "1.1.23.12.27b", "Errors": {}, "ValidationType": "Database", "MotiveCount": 10640, "Models": [ { "ModelName": "ATP", "LongName": "adenosine-5'-triphosphate", "Formula": "C{10}H{16}N{5}O{13}P{3}", "CoordinateSource": "CifModel", "ModelNames": { "1": "PG", "2": "O1G", "3": "O2G", "4": "O3G", "5": "PB", "6": "O1B", "7": "O2B", "8": "O3B", "9": "PA", "10": "O1A", "11": "O2A", "12": "O3A", "13": "O5'", "14": "C5'", "15": "C4'", "16": "O4'", "17": "C3'", "18": "O3'", "19": "C2'", "20": "O2'", "21": "C1'", "22": "N9", "23": "C8", "24": "N7", "25": "C5", "26": "C6", "27": "N6", "28": "N1", "29": "C2", "30": "N3", "31": "C4" }, "ModelAtomTypes": { "1": "P", "2": "O", "3": "O", "4": "O", "5": "P", "6": "O", "7": "O", "8": "O", "9": "P", "10": "O", "11": "O", "12": "O", "13": "O", "14": "C", "15": "C", "16": "O", "17": "C", "18": "O", "19": "C", "20": "O", "21": "C", "22": "N", "23": "C", "24": "N", "25": "C", "26": "C", "27": "N", "28": "N", "29": "C", "30": "N", "31": "C" }, "PlanarAtoms": [], "ChiralAtoms": [ 5, 9, 15, 17, 19, 21 ], "ChiralAtomsInfo": { "Planar": [], "Carbon": [ 15, 17, 19, 21 ], "Metal": [], "NonSingleBond": [ 5, 9 ] }, "AtomNamingEquivalence": { "Charge": { "H5'1": "H5'1", "H5'2": "H5'1", "H3'": "H3'", "H4'": "H3'", "HN61": "HN61", "HN62": "HN61", "HOA2": "HOA2", "HOB2": "HOA2", "HOG2": "HOA2", "HOG3": "HOA2", "O2G": "O2G", "O3G": "O2G" }, "ChargeIgnoreBondTypes": { "O1A": "O1A", "O2A": "O1A", "O1B": "O1B", "O2B": "O1B", "O1G": "O1G", "O2G": "O1G", "O3G": "O1G" } }, "ModelBonds": { "1-2": 2, "1-3": 1, "1-4": 1, "1-8": 1, "5-6": 2, "5-7": 1, "5-8": 1, "5-12": 1, "9-10": 2, "9-11": 1, "9-12": 1, "9-13": 1, "13-14": 1, "14-15": 1, "15-16": 1, "15-17": 1, "16-21": 1, "17-18": 1, "17-19": 1, "19-20": 1, "19-21": 1, "21-22": 1, "22-23": 1, "22-31": 1, "23-24": 2, "24-25": 1, "25-26": 1, "25-31": 2, "26-27": 1, "26-28": 2, "28-29": 1, "29-30": 2, "30-31": 1 }, "Summary": { "Analyzed": 10640, "HasAll": 10490, "HasAll_BadChirality": 7756, 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"6j17", "6j18", "6j19", "6j5i", "6j5j", "6j5k", "6j90", "6jbd", "6jbj", "6jbk", "6jcu", "6jd4", "6jd5", "6jh6", "6jh8", "6jh9", "6ji0", "6jii", "6jiu", "6jiy", "6jq0", "6jrr", "6jrs", "6jwq", "6jws", "6jwt", "6jwv", "6jww", "6jwy", "6kc0", "6kcl", "6kcm", "6kid", "6ksh", "6l57", "6l59", "6ln3", "6m2w", "6m96", "6mat", "6mbn", "6mdm", "6mdn", "6mdo", "6mdp", "6mm2", "6msb", "6msd", "6mse", "6msg", "6msh", "6msj", "6msk", "6msm", "6mt9", "6mve", "6mw7", "6n0t", "6n2y", "6n2z", "6n30", "6n8t", "6n8v", "6n8z", "6n9a", "6nas", "6nbe", "6nbj", "6nbw", "6nhx", "6nhz", "6no7", "6noo", "6nop", "6ntb", "6nud", "6nue", "6nya", "6o1v", "6o1y", "6o2p", "6o75", "6o78", "6o7d", "6oa9", "6oif", "6ojx", "6olm", "6on2", "6oqr", "6oqs", "6oqt", "6oqu", "6oqv", "6oqw", "6p07", "6p1s", "6p80", "6p8j", "6p8v", "6pan", "6pao", "6paq", "6pdt", "6pe0", "6pe3", "6peu", "6pk4", "6pmi", "6pmj", "6pqv", "6ptn", "6pto", "6pz9", "6pza", "6pzi", "6q45", "6qdv", "6qri", "6qv0", "6r4s", "6r72", "6r81", "6raf", "6rag", "6rah", "6rai", "6raj", "6rak", "6ral", "6ram", "6raw", "6rax", "6ray", "6raz", "6rd4", "6rd9", "6rdb", "6rdc", "6rde", "6rdg", "6rdh", "6rdi", "6rdj", "6rdk", "6rdl", "6rdm", "6rdn", "6rdo", "6rdp", "6rdq", "6rdr", "6rds", "6rdt", "6rdu", "6rdv", "6rdw", "6rdx", "6rdy", "6rdz", "6re0", "6re1", "6re2", "6re3", "6re4", "6re5", "6re6", "6re7", "6re8", "6re9", "6rea", "6reb", "6rec", "6red", "6ree", "6ref", "6rep", "6rer", "6res", "6ret", "6reu", "6rfu", "6riq", "6ris", "6rj4", "6rka", "6rkd", "6rke", "6rla", "6rm2", "6rmd", "6rqc", "6rw4", "6rw5", "6s2j", "6s47", "6s5c", "6s5d", "6s5e", "6s5n", "6s7p", "6sc2", "6sr6", "6sv5", "6syt", "6tax", "6tay", "6tdu", "6tdy", "6tdz", "6te0", "6tf2", "6tmh", "6tmk", "6tmt", "6tmu", "6tnm", "6tqe", "6tz2", "6u0m", "6u1d", "6u1e", "6u1f", "6u1g", "6u8n", "6u8r", "6u9d", "6u9o", "6u9w", "6ua2", "6ua4", "6uaj", "6uc2", "6udo", "6udq", "6ugd", "6uge", "6ugf", "6uhc", "6uhh", "6uk1", "6uuc", "6uy0", "6v2l", "6v2m", "6vfs", "6vfx", "6vmb", "6vmd", "6vof", "6vog", "6voh", "6voi", "6voj", "6vok", "6vol", "6vom", "6von", "6voo", "6vt6", "6vt9", "6vtb", "6vtd", "6vz4", "6vzg", "6vzt", "6w17", "6w18", "6w1z", "6w20", "6w21", "6w22", "6w23", "6w24", "6w7v", "6wa8", "6wb4", "6wbs", "6wnq", "6wnr", "6x2n", "6x43", "6x50", "6xhj", "6xrc", "6xxq", "6y8c", "6yar", "6yay", "6yb3", "6yb5", "6ybb", "6ybu", "6yii", "6ynx", "6yny", "6ynz", "6yo0", "6yp9", "6yt3", "6yw5", "6yw6", "6yw7", "6ywe", "6ywx", "6ywy", "6yx3", "6yxx", "6yxy", "6yy0", "6z1p", "6z1r", "6z1u", "6z3r", "6zce", "6ze1", "6zhu", "6zjd", "6zm5", "6zm6", "6znl", "6znm", "6znn", "6zno", "6zo4", "6zpo", "6zqm", "6zqn", "6zr2", "6zsp", "6ztq", "6zu9", "6zvj", "6zxf", "6zxg", "6zxh", "6zyw", "6zyy", "6zz6", "7a09", "7abr", "7agj", "7ahd", "7ai5", "7aip", "7aiq", "7air", "7ak5", "7ak6", "7am2", "7at1", "7b7d", "7b93", "7bg4", "7bi6", "7bkp", "7bt2", "7c1z", "7c2f", "7c2g", "7c2h", "7cag", "7cfi", "7cgn", "7ch0", "7cki", "7cm9", "7cq5", "7crc", "7cte", "7ctf", "7ctg", "7d08", "7d09", "7d4o", "7d4u", "7d7y", "7dah", "7dc7", "7dc8", "7dg0", "7dxq", "7dy1", "7dy2", "7dye", "7dyi", "7dyj", "7dyk", "7e7q", "7eer", "7ej6", "7ej7", "7ekl", "7ens", "7ent", "7esb", "7ev2", "7ev3", "7f04", "7f0b", "7fdv", "7ftr", "7ftu", "7fub", "7fui", "7fuj", "7fur", "7gqt", "7jg5", "7jga", "7jgr", "7jgs", "7jhg", "7jhh", "7jij", "7jk2", "7jk3", "7jk4", "7jk5", "7jk6", "7jlv", "7jm6", "7jm7", "7jpn", "7jpo", "7jpp", "7jpq", "7jpr", "7jps", "7ju4", "7k2t", "7k3z", "7k58", "7k5b", "7kek", "7kl1", "7ko2", "7krj", "7krt", "7kru", "7krv", "7krw", "7krz", "7ksm", "7kzi", "7kzu", "7l1q", "7l1r", "7l1s", "7lg5", "7lgm", "7lgq", "7lht", "7lhw", "7li3", "7li4", "7lj1", "7ljf", "7ljl", "7lkz", "7lmy", "7lmz", "7ln0", "7ln1", "7ln2", "7ln3", "7ln4", "7ln5", "7ln6", "7m1t", "7m33", "7m6a", "7m6l", "7m74", "7md2", "7md3", "7mgm", "7mi3", "7mi6", "7mir", "7mis", "7mit", "7mjo", "7mjp", "7mjq", "7moq", "7mq8", "7mq9", "7mqa", "7msu", "7n1p", "7n2c", "7n2u", "7n2v", "7n30", "7n31", "7n6i", "7n74", "7ng4", "7ng5", "7ngf", "7nhk", "7nhl", "7nhn", "7njk", "7njl", "7njm", "7njn", "7njo", "7njp", "7njq", "7njr", "7njs", "7nk7", "7nkh", "7nkj", "7nsd", "7nu0", "7nu2", "7nu3", "7nu6", "7nu7", "7nu8", "7nu9", "7nuc", "7nxv", "7nyw", "7nyx", "7nyz", "7nz0", "7nz2", "7nz3", "7nzm", "7o17", "7oat", "7oik", "7oim", "7oj8", "7ojh", "7oji", "7oqh", "7orj", "7ork", "7orn", "7otc", "7ou4", "7ow8", "7oz1", "7p04", "7p05", "7p06", "7p09", "7p0m", "7p1h", "7p2e", "7p2y", "7p30", "7p37", "7p3f", "7p3n", "7p3q", "7p3w", "7p48", "7p50", "7p52", "7p5z", "7p7q", "7p7r", "7p7s", "7p7t", "7pem", "7pji", "7plj", "7pmz", "7pnt", "7pnu", "7pnv", "7pnw", "7pnx", "7pny", "7pnz", "7po0", "7po1", "7po2", "7po3", "7pr1", "7psa", "7pua", "7pub", "7pup", "7pvn", "7pw4", "7pw5", "7pw7", "7pw8", "7pw9", "7px9", "7pxb", "7pxc", "7pxd", "7q6d", "7q6f", "7q6i", "7q7d", "7q7e", "7q92", "7qba", "7qdx", "7qen", "7qhs", "7qi4", "7qi5", "7qi6", "7qk9", "7qo4", "7qo5", "7qo6", "7qxn", "7qxp", "7qxu", "7qxw", "7qxx", "7qy7", "7qya", "7qyb", "7r2y", "7r2z", "7r31", "7r8e", "7rak", "7rav", "7rax", "7rci", "7rck", "7res", "7rfe", "7rfg", "7rfh", "7rgd", "7rgm", "7rgq", "7rkh", "7rl0", "7rmk", "7rmv", "7rnr", "7ru9", "7rua", "7ruc", "7rut", "7rzy", "7s5v", "7s5x", "7s5y", "7s5z", "7s60", "7s61", "7s65", "7s66", "7s67", "7sgl", "7shm", "7spy", "7ste", "7su3", "7sud", "7sv7", "7svd", "7svu", "7swl", "7sxo", "7sz2", "7t0v", "7t3i", "7t3p", "7t3q", "7t3r", "7t3t", "7t3u", "7t4t", "7t54", "7t55", "7t56", "7t57", "7t5q", "7t65", "7tbw", "7tch", "7tgk", "7tjf", "7tjh", "7tji", "7tjj", "7tjk", "7tjs", "7tjt", "7tju", "7tjv", "7tjw", "7tjx", "7tmo", "7to3", "7tqd", "7tve", "7txu", "7txv", "7tys", "7tyt", "7tzc", "7u1e", "7u1q", "7u1s", "7u24", "7u2x", "7u6y", "7u7m", "7u9k", "7u9q", "7u9r", "7u9t", "7u9x", "7u9z", "7ua1", "7ua3", "7ua4", "7ua5", "7ua9", "7uaa", "7ufi", "7ufm", "7uir", "7ujp", "7ujt", "7uo7", "7upr", "7upt", "7ut8", "7ut9", "7uux", "7uxw", "7v00", "7v01", "7v2z", "7v3w", "7v3x", "7val", "7vam", "7van", "7vao", "7vap", "7vaq", "7var", "7vas", "7vat", "7vau", "7vav", "7vfp", "7vhv", "7vlr", "7vls", "7vlt", "7vlu", "7vvy", "7vvz", "7vx0", "7vx8", "7w02", "7w1y", "7w37", "7w38", "7w39", "7w3a", "7w3b", "7w3c", "7w3f", "7w3g", "7w3h", "7w3i", "7w3j", "7w3k", "7w3m", "7w4o", "7w4p", "7w52", "7w59", "7w5a", "7w5b", "7w79", "7waj", "7wbb", "7wd3", "7wdc", "7whf", "7whp", "7wit", "7wiw", "7wj4", "7wpl", "7wpm", "7wpn", "7wpt", "7wpx", "7wq0", "7wtd", "7wte", "7wyu", "7wyv", "7wyx", "7x0t", "7x0z", "7x1w", "7x1y", "7x1z", "7x3j", "7xa9", "7xbk", "7xc2", "7xdv", "7xe0", "7xec", "7xf0", "7xjp", "7xkq", "7xkr", "7xn2", "7xx2", "7xzo", "7y1h", "7y1j", "7y1k", "7y1l", "7y1m", "7y1n", "7y1w", "7y28", "7y38", "7y3s", "7y46", "7y59", "7y5a", "7y5b", "7y5c", "7y77", "7y7t", "7yfn", "7yfp", "7ykk", "7ykl", "7ykt", "7ykz", "7yry", "7ywm", "7z13", "7z15", "7z18", "7z37", "7z38", "7z3n", "7z3o", "7z5j", "7z6r", "7z8f", "7z8g", "7z8h", "7z8l", "7z8m", "7z8u", "7z9t", "7zda", "7zdb", "7zdt", "7zdu", "7ze5", "7zec", "7zh9", "7zk4", "7zk5", "7zk6", "7zk8", "7zka", "7zpu", "7zqq", "7zr0", "7zr4", "7zr5", "7zr6", "7zrg", "7zse", "7zvw", "7zy2", "7zyd", "7zyo", "7zyr", "7zz3", "7zz4", "8a22", "8a3u", "8a52", "8a5a", "8a5p", "8a5q", "8a6x", "8a7f", "8a7h", "8aaz", "8aec", "8aek", "8aem", "8amz", "8any", "8ap6", "8apa", "8apb", "8apc", "8apd", "8ape", "8apf", "8apg", "8aph", "8apj", "8apk", "8apn", "8apo", "8av6", "8avy", "8azg", "8b6h", "8bd4", "8bd5", "8bd6", "8bht", "8bi0", "8bjj", "8bkz", "8bl2", "8bl7", "8blc", "8bld", "8ble", "8blf", "8bly", "8bm0", "8bm1", "8bmd", "8bmo", "8bmp", "8bms", "8bmt", "8bo1", "8bq2", "8bqs", "8br1", "8br2", "8btg", "8buu", "8bwo", "8bwy", "8bx8", "8c08", "8c0v", "8c0w", "8c1e", "8c47", "8c4o", "8c51", "8c53", "8c6j", "8cas", "8ce5", "8cgy", "8csp", "8csq", "8csr", "8css", "8cst", "8csu", "8cvt", "8d8k", "8d8l", "8dar", "8das", "8dat", "8dau", "8dav", "8daw", "8dbg", "8dbh", "8dbi", "8dbj", "8dbk", "8dbn", "8dbp", "8dbq", "8dbr", "8dbs", "8dbt", "8dbu", "8dbv", "8dbw", "8dck", 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1.316 }, { "ModelName": "ATP", "Id": "3jzm_17_23258", "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": "ATP 903 F", "ResidueCount": 1, "Residues": [ "ATP 903 F" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 5, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2G O 23260", "3": "O3G O 23261", "4": "O1G O 23259", "10": "O2A O 23268", "11": "O1A O 23267" }, "NameMismatchFlags": { "4": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "3": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "11": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "10": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "5": "PB P 23262" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.578 }, { "ModelName": "ATP", "Id": "3jzm_1_22903", "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": "ATP 901 A", "ResidueCount": 1, "Residues": [ "ATP 901 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 5, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, 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"AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.599 }, { "ModelName": "ATP", "Id": "3jzm_4_22969", "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": "ATP 901 B", "ResidueCount": 1, "Residues": [ "ATP 901 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 5, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2G O 22971", "3": "O3G O 22972", "4": "O1G O 22970", "10": "O2A O 22979", "11": "O1A O 22978" }, 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"HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquiv", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "ATP 901 C", "ResidueCount": 1, "Residues": [ "ATP 901 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 5, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 1, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2G O 23035", "3": "O3G O 23036", "4": "O1G O 23034", "10": "O2A O 23043", "11": "O1A O 23042" }, "NameMismatchFlags": { "4": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "3": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "11": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "10": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "5": "PB P 23037" }, 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"HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "ATP 2703 A", "ResidueCount": 1, "Residues": [ "ATP 2703 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2G O 66796", "3": "O1G O 66795", "6": "O2B O 66800", "7": "O1B O 66799" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "7": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "6": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], 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0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "3": "O3G O 18304", "4": "O2G O 18303" }, "NameMismatchFlags": { "4": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "3": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.91 }, { "ModelName": "ATP", "Id": "9zjw_1_18333", "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": "ATP 1601 B", "ResidueCount": 1, "Residues": [ "ATP 1601 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 4, "ForeignAtomCount": 0, "ChiralityMismatchCount": 1, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "3": "O3G O 18336", "4": "O2G O 18335", "10": "O2A O 18343", "11": "O1A O 18342" }, "NameMismatchFlags": { "4": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "3": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "11": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "10": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "9": "PA P 18341" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.898 }, { "ModelName": "ATP", "Id": "9zjz_0_9180", "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": "ATP 1601 A", "ResidueCount": 1, "Residues": [ "ATP 1601 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 6, "ForeignAtomCount": 0, "ChiralityMismatchCount": 2, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "3": "O3G O 9183", "4": "O2G O 9182", "6": "O2B O 9186", "7": "O1B O 9185", "10": "O2A O 9190", "11": "O1A O 9189" }, "NameMismatchFlags": { "4": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "3": [ "ChargeEquiv", "ChargeEquivIgnoreBonds" ], "7": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "6": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "11": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "10": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "5": "PB P 9184", "9": "PA P 9188" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.943 }, { "ModelName": "ATP", "Id": "9zoi_0_11595", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "ATP 401 A", "ResidueCount": 1, "Residues": [ "ATP 401 A" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 3, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O3G O 11598", "4": "O1G O 11596" }, "NameMismatchFlags": { "4": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.564 }, { "ModelName": "ATP", "Id": "9zoi_5_11693", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_GoodChirality", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "ATP 401 C", "ResidueCount": 1, "Residues": [ "ATP 401 C" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 2, "ForeignAtomCount": 0, "ChiralityMismatchCount": 0, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 2, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O3G O 11696", "4": "O1G O 11694" }, "NameMismatchFlags": { "4": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": {}, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.499 }, { "ModelName": "ATP", "Id": "9zwl_1_10900", "State": "Validated", "Flags": [ "Analyzed", "HasAll", "HasAll_BadChirality", "HasAll_BadChirality_NonSingleBond", "HasAll_GoodChirality_IgnorePlanarAndNonSingleBondErrors", "HasAll_NameMismatch", "HasAll_NameMismatch_ChargeEquivIgnoreBondType", "HasAll_NameMismatch_NonChargeEquiv" ], "MainResidue": "ATP 702 B", "ResidueCount": 1, "Residues": [ "ATP 702 B" ], "MissingAtomCount": 0, "MissingRingCount": 0, "WrongBondCount": 0, "HasBondDiscrepancy": false, "NameMismatchCount": 6, "ForeignAtomCount": 0, "ChiralityMismatchCount": 2, "SubstitutionCount": 0, "UnmatchedMotiveAtomCount": 0, "MissingAtoms": [], "MissingRings": "", "WrongBonds": [], "NameMismatches": { "2": "O2G O 10902", "3": "O1G O 10901", "6": "O2B O 10906", "7": "O1B O 10905", "10": "O2A O 10910", "11": "O1A O 10909" }, "NameMismatchFlags": { "3": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "2": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "7": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "6": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "11": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ], "10": [ "ChargeEquivIgnoreBonds", "NonChargeEquiv" ] }, "ForeignAtoms": {}, "ChiralityMismatches": { "5": "PB P 10904", "9": "PA P 10908" }, "Substitutions": {}, "AlternateLocationCount": 0, "DuplicateNames": [], "NonBoundarySubstitutionAndForeignAtoms": [], "UnmatchedModelNames": [], "ModelRmsd": 1.981 } ], "Warnings": { "3zs7": [ "Residue ATP 1301 A: Skipped alternate location(s) 'B'." ], "3zs7_0_2167": [ "Residue ATP 1301 A: Skipped alternate location(s) 'B'." ], "2kmx": [ "Line 5169: Only the first model was loaded (the input contains multiple models)." ], "1tqp": [ "Residue ATP 283 A: Skipped alternate location(s) 'B'." ], "1tqp_0_2194": [ "Residue ATP 283 A: Skipped alternate location(s) 'B'." ], "4at1_0_7108": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond C8 C 7130-N7 N 7131 (1.330 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "3h1q_1_3921": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond C5 C 3945-C4 C 3950 (1.453 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1g5t": [ "Residue ATP 999 A: Skipped alternate location(s) 'B'." ], "1g5t_0_1214": [ "Residue ATP 999 A: Skipped alternate location(s) 'B'." ], "4co4": [ "Residue ATP 120 A: Skipped alternate location(s) 'B'.", "Residue ATP 120 B: Skipped alternate location(s) 'B'." ], "4co4_0_2057": [ "Residue ATP 120 A: Skipped alternate location(s) 'B'." ], "4co4_1_2103": [ "Residue ATP 120 B: Skipped alternate location(s) 'B'." ], "1xdp_1_11378": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond O2G O 11380-O O 11485 (1.592 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1jkn": [ "Line 4794: Only the first model was loaded (the input contains multiple models)." ], "4u0m": [ "Residue ATP 502 B: Skipped alternate location(s) 'B'." ], "4u0m_4_6395": [ "Residue ATP 502 B: Skipped alternate location(s) 'B'." ], "1xsc": [ "Line 4725: Only the first model was loaded (the input contains multiple models)." ], "4dtl": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "4dtl_0_2773": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "6fvf_1_2850": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond N9 N 2851-C8 C 2852 (1.371 ang), extra bond C2 C 2858-N3 N 2859 (1.337 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1yun": [ "Residue ATP 223 A: Skipped alternate location(s) 'B'." ], "1yun_0_3338": [ "Residue ATP 223 A: Skipped alternate location(s) 'B'." ], "4edg": [ "Residue ATP 503 A: Skipped alternate location(s) 'B'." ], "4edg_2_2644": [ "Residue ATP 503 A: Skipped alternate location(s) 'B'." ], "1mb9_1_7460": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond C8 C 7482-N7 N 7483 (1.300 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "1mo8": [ "Line 6229: Only the first model was loaded (the input contains multiple models)." ], "5mvv": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "5mvv_0_4242": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "6vz4": [ "Line 42374: Only the first model was loaded (the input contains multiple models)." ], "6vzg": [ "Line 23694: Only the first model was loaded (the input contains multiple models)." ], "1pk8": [ "Residue ATP 800 A: Skipped alternate location(s) 'B'.", "Residue ATP 801 B: Skipped alternate location(s) 'B'.", "Residue ATP 802 C: Skipped alternate location(s) 'B'.", "Residue ATP 803 D: Skipped alternate location(s) 'B'.", "Residue ATP 804 E: Skipped alternate location(s) 'B'.", "Residue ATP 805 F: Skipped alternate location(s) 'B'.", "Residue ATP 806 G: Skipped alternate location(s) 'B'.", "Residue ATP 807 H: Skipped alternate location(s) 'B'." ], "1pk8_0_18533": [ "Residue ATP 800 A: Skipped alternate location(s) 'B'." ], "1pk8_1_18600": [ "Residue ATP 801 B: Skipped alternate location(s) 'B'." ], "1pk8_2_18667": [ "Residue ATP 802 C: Skipped alternate location(s) 'B'." ], "1pk8_3_18730": [ "Residue ATP 803 D: Skipped alternate location(s) 'B'." ], "1pk8_4_18793": [ "Residue ATP 804 E: Skipped alternate location(s) 'B'." ], "1pk8_5_18856": [ "Residue ATP 805 F: Skipped alternate location(s) 'B'." ], "1pk8_6_18919": [ "Residue ATP 806 G: Skipped alternate location(s) 'B'." ], "1pk8_7_18982": [ "Residue ATP 807 H: Skipped alternate location(s) 'B'." ], "1px2": [ "Residue ATP 800 A: Skipped alternate location(s) 'B'.", "Residue ATP 800 B: Skipped alternate location(s) 'B'." ], "1px2_0_4689": [ "Residue ATP 800 A: Skipped alternate location(s) 'B'." ], "1px2_1_4752": [ "Residue ATP 800 B: Skipped alternate location(s) 'B'." ], "2b6f": [ "Line 3750: Only the first model was loaded (the input contains multiple models)." ], "6gvt": [ "Line 4848: Only the first model was loaded (the input contains multiple models)." ], "2c01": [ "Residue ATP 1136 X: Skipped alternate location(s) 'B'." ], "2c01_0_1100": [ "Residue ATP 1136 X: Skipped alternate location(s) 'B'." ], "2cch": [ "Residue ATP 1297 A: Skipped alternate location(s) 'B'.", "Residue ATP 1297 C: Skipped alternate location(s) 'B'." ], "2cch_1_9341": [ "Residue ATP 1297 A: Skipped alternate location(s) 'B'." ], "2cch_3_9420": [ "Residue ATP 1297 C: Skipped alternate location(s) 'B'." ], "2hs0": [ "Residue ATP 1066 A: Skipped alternate location(s) 'B'." ], "2hs0_1_4507": [ "Residue ATP 1066 A: Skipped alternate location(s) 'B'." ], "3lev": [ "Residue ATP 219 H: Skipped alternate location(s) 'B'." ], "3lev_0_4838": [ "Residue ATP 219 H: Skipped alternate location(s) 'B'." ], "2p0x": [ "Line 3325: Only the first model was loaded (the input contains multiple models)." ], "2qrd": [ "Residue ATP 1501 G: 'ATP 1001 G' and 'ATP 1501 G' are too close to each other (0.329 ang). 'ATP 1501 G' ignored.", "Residue ATP 1502 E: 'ATP 1002 E' and 'ATP 1502 E' are too close to each other (0.593 ang). 'ATP 1502 E' ignored." ], "2rsf": [ "Line 3610: Only the first model was loaded (the input contains multiple models)." ], "3ovb_0_8820": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond PB P 8824-O2B O 8826 (1.492 ang), extra bond PB P 8824-P2 P 8928 (0.357 ang), extra bond O1B O 8825-O6 O 8931 (0.903 ang), extra bond O3A O 8831-O5 O 8930 (0.642 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "3ovb_1_8873": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond PB P 8877-P2 P 8909 (1.461 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "2zsf_1_2486": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond PB P 2490-PB P 2517 (0.641 ang), extra bond O1B O 2491-PB P 2517 (1.057 ang), extra bond O2B O 2492-O1B O 2518 (0.916 ang), extra bond O3B O 2493-O3A O 2524 (0.617 ang), extra bond O3A O 2497-O3B O 2520 (0.790 ang), extra bond C1' C 2506-O4' O 2528 (1.475 ang), extra bond N9 N 2507-C8 C 2508 (1.332 ang), extra bond N9 N 2507-N3 N 2542 (0.898 ang), extra bond N7 N 2509-N1 N 2540 (0.970 ang), extra bond C4 C 2516-C4 C 2543 (0.370 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "3umo": [ "Residue ATP 315 A: Skipped alternate location(s) 'B'.", "Residue ATP 312 B: Skipped alternate location(s) 'B'." ], "3umo_0_4563": [ "Residue ATP 312 B: Skipped alternate location(s) 'B'." ], "3umo_1_4596": [ "Residue ATP 315 A: Skipped alternate location(s) 'B'." ], "3umo_2_4658": [ "Residue ATP 312 B: Skipped alternate location(s) 'B'." ], "3umo_3_4721": [ "Residue ATP 315 A: Skipped alternate location(s) 'B'." ], "3ump": [ "Residue ATP 314 A: Skipped alternate location(s) 'B'.", "Residue ATP 312 B: Skipped alternate location(s) 'B'." ], "3ump_0_4559": [ "Residue ATP 312 B: Skipped alternate location(s) 'B'." ], "3ump_1_4594": [ "Residue ATP 314 A: Skipped alternate location(s) 'B'." ], "3ump_2_4656": [ "Residue ATP 312 B: Skipped alternate location(s) 'B'." ], "3ump_3_4719": [ "Residue ATP 314 A: Skipped alternate location(s) 'B'." ], "9dsv": [ "Residue ATP 405 B: 'TXA 401 B' and 'ATP 405 B' are too close to each other (0.383 ang). 'ATP 405 B' ignored." ], "7q7d": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "7q7d_0_4515": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "7q7e": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "7q7e_0_4496": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "4wtv": [ "Residue ATP 1201 A: Skipped alternate location(s) 'B'.", "Residue ATP 1201 B: Skipped alternate location(s) 'B'." ], "4wtv_0_7012": [ "Residue ATP 1201 A: Skipped alternate location(s) 'B'." ], "4wtv_1_7098": [ "Residue ATP 1201 B: Skipped alternate location(s) 'B'." ], "5d15": [ "Residue ATP 301 B: Skipped alternate location(s) 'B'." ], "5d15_1_4976": [ "Residue ATP 301 B: Skipped alternate location(s) 'B'." ], "7qo6_0_112743": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond C5 C 112767-C6 C 112768 (1.463 ang), extra bond C5 C 112767-C4 C 112773 (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)." ], "5ecn_1_15975": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond C5' C 15988-C3' C 15991 (1.745 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "6az0": [ "Line 26641: Only the first model was loaded (the input contains multiple models)." ], "9fhl": [ "Residue ATP 1 5: Skipped alternate location(s) 'B'." ], "9fhl_77_62164": [ "Residue ATP 1 5: Skipped alternate location(s) 'B'." ], "6zjd": [ "Residue ATP 301 A: Skipped alternate location(s) 'B'." ], "6zjd_0_1773": [ "Residue ATP 301 A: Skipped alternate location(s) 'B'." ], "6ojx": [ "Residue ATP 406 A: Skipped alternate location(s) 'B'.", "Residue ATP 404 B: Skipped alternate location(s) 'B'.", "Residue ATP 404 C: Skipped alternate location(s) 'B'." ], "6ojx_0_8353": [ "Residue ATP 406 A: Skipped alternate location(s) 'B'." ], "6ojx_1_8424": [ "Residue ATP 404 B: Skipped alternate location(s) 'B'." ], "6ojx_2_8495": [ "Residue ATP 404 C: Skipped alternate location(s) 'B'." ], "6p07_5_14014": [ "ATP: Model/Input Motif bond discrepancy: different bond count, extra bond PB P 14018-O2B O 14020 (1.510 ang), extra bond PA P 14022-PA P 14049 (1.185 ang), extra bond O2A O 14024-O1A O 14050 (1.237 ang), extra bond O3A O 14025-O5' O 14053 (1.481 ang), extra bond O5' O 14026-C5' C 14054 (0.816 ang), extra bond C5' C 14027-C5' C 14054 (1.171 ang), extra bond C4' C 14028-C3' C 14057 (1.094 ang), extra bond C3' C 14030-C3' C 14057 (1.328 ang), extra bond O3' O 14031-O2' O 14060 (0.944 ang). Likely causes: 1) Degenerate motif (i.e. misplaced atoms), 2) Wrong CONECT record(s) in the parent PDB (if PDB format was used)." ], "6p1s": [ "Residue ATP 501 A: Skipped alternate location(s) 'B'." ], "6p1s_0_3026": [ "Residue ATP 501 A: Skipped alternate location(s) 'B'." ], "6rka": [ "Residue ATP 402 B: 'SAM 401 B' and 'ATP 402 B' are too close to each other (0.527 ang). 'ATP 402 B' ignored." ], "9fra": [ "Residue ATP 1 5: Skipped alternate location(s) 'B'." ], "9fra_79_63581": [ "Residue ATP 1 5: Skipped alternate location(s) 'B'." ], "9fsf": [ "Residue ATP 102 5: Skipped alternate location(s) 'B'." ], "9fsf_82_65434": [ "Residue ATP 102 5: Skipped alternate location(s) 'B'." ], "8c51": [ "Residue ATP 602 A: Skipped alternate location(s) 'B'.", "Residue ATP 604 A: Skipped alternate location(s) 'B'." ], "8c51_1_13535": [ "Residue ATP 602 A: Skipped alternate location(s) 'B'." ], "8c51_2_13626": [ "Residue ATP 604 A: Skipped alternate location(s) 'B'." ], "8c53": [ "Residue ATP 602 A: Skipped alternate location(s) 'B'.", "Residue ATP 602 B: Skipped alternate location(s) 'B'." ], "8c53_1_13529": [ "Residue ATP 602 A: Skipped alternate location(s) 'B'." ], "8c53_3_13660": [ "Residue ATP 602 B: Skipped alternate location(s) 'B'." ], "8cgy": [ "Residue ATP 601 A: Skipped alternate location(s) 'B'.", "Residue ATP 601 B: Skipped alternate location(s) 'B'." ], "8cgy_0_6656": [ "Residue ATP 601 A: Skipped alternate location(s) 'B'." ], "8cgy_2_6787": [ "Residue ATP 601 B: Skipped alternate location(s) 'B'." ], "8pph": [ "Residue ATP 501 B: Skipped alternate location(s) 'B'." ], "8pph_2_4492": [ "Residue ATP 501 B: Skipped alternate location(s) 'B'." ], "8ppi": [ "Residue ATP 502 B: Skipped alternate location(s) 'B'." ], "8ppi_3_4581": [ "Residue ATP 502 B: Skipped alternate location(s) 'B'." ], "8ppd": [ "Residue ATP 505 B: Skipped alternate location(s) 'B'." ], "8ppd_3_4398": [ "Residue ATP 505 B: Skipped alternate location(s) 'B'." ], "8qfh": [ "Residue ATP 402 A: Skipped alternate location(s) 'B'." ], "8qfh_1_6091": [ "Residue ATP 402 A: Skipped alternate location(s) 'B'." ], "8qfi": [ "Residue ATP 402 A: Skipped alternate location(s) 'B'." ], "8qfi_1_5690": [ "Residue ATP 402 A: Skipped alternate location(s) 'B'." ], "8qfj": [ "Residue ATP 402 A: Skipped alternate location(s) 'B'." ], "8qfj_1_5669": [ "Residue ATP 402 A: Skipped alternate location(s) 'B'." ], "8rto": [ "Residue ATP 605 AAA: Skipped alternate location(s) 'B'.", "Residue ATP 605 BBB: Skipped alternate location(s) 'B'.", "Residue ATP 605 CCC: Skipped alternate location(s) 'B'.", "Residue ATP 605 DDD: Skipped alternate location(s) 'B'." ], "8rto_0_17257": [ "Residue ATP 605 AAA: Skipped alternate location(s) 'B'." ], "8rto_6_17309": [ "Residue ATP 605 BBB: Skipped alternate location(s) 'B'." ], "8rto_12_17359": [ "Residue ATP 605 CCC: Skipped alternate location(s) 'B'." ], "8rto_17_17411": [ "Residue ATP 605 DDD: Skipped alternate location(s) 'B'." ], "8ry5": [ "Residue ATP 502 A: Skipped alternate location(s) 'B'.", "Residue ATP 502 B: Skipped alternate location(s) 'B'.", "Residue ATP 502 C: Skipped alternate location(s) 'B'.", "Residue ATP 502 D: Skipped alternate location(s) 'B'.", "Residue ATP 502 E: Skipped alternate location(s) 'B'.", "Residue ATP 502 F: Skipped alternate location(s) 'B'.", "Residue ATP 502 G: Skipped alternate location(s) 'B'.", "Residue ATP 502 H: Skipped alternate location(s) 'B'." ], "8ry5_1_27657": [ "Residue ATP 502 A: Skipped alternate location(s) 'B'." ], "8ry5_3_27743": [ "Residue ATP 502 B: Skipped alternate location(s) 'B'." ], "8ry5_5_27829": [ "Residue ATP 502 C: Skipped alternate location(s) 'B'." ], "8ry5_7_27915": [ "Residue ATP 502 D: Skipped alternate location(s) 'B'." ], "8ry5_9_28001": [ "Residue ATP 502 E: Skipped alternate location(s) 'B'." ], "8ry5_11_28087": [ "Residue ATP 502 F: Skipped alternate location(s) 'B'." ], "8ry5_13_28173": [ "Residue ATP 502 G: Skipped alternate location(s) 'B'." ], "8ry5_15_28259": [ "Residue ATP 502 H: Skipped alternate location(s) 'B'." ], "9hg1": [ "Residue ATP 501 A: Skipped alternate location(s) 'B'.", "Residue ATP 501 B: Skipped alternate location(s) 'B'.", "Residue ATP 501 C: Skipped alternate location(s) 'B'.", "Residue ATP 501 D: Skipped alternate location(s) 'B'.", "Residue ATP 501 E: Skipped alternate location(s) 'B'.", "Residue ATP 501 F: Skipped alternate location(s) 'B'.", "Residue ATP 501 G: Skipped alternate location(s) 'B'.", "Residue ATP 501 H: Skipped alternate location(s) 'B'.", "Residue ATP 501 I: Skipped alternate location(s) 'B'.", "Residue ATP 501 J: Skipped alternate location(s) 'B'.", "Residue ATP 501 K: Skipped alternate location(s) 'B'.", "Residue ATP 502 L: Skipped alternate location(s) 'B'.", "Residue ATP 502 M: Skipped alternate location(s) 'B'.", "Residue ATP 502 N: Skipped alternate location(s) 'B'.", "Residue ATP 502 O: Skipped alternate location(s) 'B'.", "Residue ATP 502 P: Skipped alternate location(s) 'B'." ], "9hg1_0_54821": [ "Residue ATP 501 A: Skipped alternate location(s) 'B'." ], "9hg1_2_54907": [ "Residue ATP 501 B: Skipped alternate location(s) 'B'." ], "9hg1_4_54993": [ "Residue ATP 501 C: Skipped alternate location(s) 'B'." ], "9hg1_6_55079": [ "Residue ATP 501 D: Skipped alternate location(s) 'B'." ], "9hg1_8_55165": [ "Residue ATP 501 E: Skipped alternate location(s) 'B'." ], "9hg1_10_55251": [ "Residue ATP 501 F: Skipped alternate location(s) 'B'." ], "9hg1_12_55337": [ "Residue ATP 501 G: Skipped alternate location(s) 'B'." ], "9hg1_14_55423": [ "Residue ATP 501 H: Skipped alternate location(s) 'B'." ], "9hg1_16_55509": [ "Residue ATP 501 I: Skipped alternate location(s) 'B'." ], "9hg1_18_55595": [ "Residue ATP 501 J: Skipped alternate location(s) 'B'." ], "9hg1_20_55681": [ "Residue ATP 501 K: Skipped alternate location(s) 'B'." ], "9hg1_23_55791": [ "Residue ATP 502 L: Skipped alternate location(s) 'B'." ], "9hg1_25_55877": [ "Residue ATP 502 M: Skipped alternate location(s) 'B'." ], "9hg1_27_55963": [ "Residue ATP 502 N: Skipped alternate location(s) 'B'." ], "9hg1_29_56049": [ "Residue ATP 502 O: Skipped alternate location(s) 'B'." ], "9hg1_31_56135": [ "Residue ATP 502 P: Skipped alternate location(s) 'B'." ], "9hg2": [ "Residue ATP 502 A: Skipped alternate location(s) 'B'.", "Residue ATP 502 B: Skipped alternate location(s) 'B'.", "Residue ATP 502 C: Skipped alternate location(s) 'B'.", "Residue ATP 502 D: Skipped alternate location(s) 'B'.", "Residue ATP 502 E: Skipped alternate location(s) 'B'.", "Residue ATP 502 F: Skipped alternate location(s) 'B'.", "Residue ATP 502 G: Skipped alternate location(s) 'B'.", "Residue ATP 502 H: Skipped alternate location(s) 'B'.", "Residue ATP 502 I: Skipped alternate location(s) 'B'.", "Residue ATP 502 J: Skipped alternate location(s) 'B'.", "Residue ATP 502 K: Skipped alternate location(s) 'B'.", "Residue ATP 502 L: Skipped alternate location(s) 'B'.", "Residue ATP 502 M: Skipped alternate location(s) 'B'.", "Residue ATP 502 N: Skipped alternate location(s) 'B'.", "Residue ATP 502 O: Skipped alternate location(s) 'B'.", "Residue ATP 502 P: Skipped alternate location(s) 'B'." ], "9hg2_1_53563": [ "Residue ATP 502 A: Skipped alternate location(s) 'B'." ], "9hg2_3_53648": [ "Residue ATP 502 B: Skipped alternate location(s) 'B'." ], "9hg2_5_53733": [ "Residue ATP 502 C: Skipped alternate location(s) 'B'." ], "9hg2_7_53818": [ "Residue ATP 502 D: Skipped alternate location(s) 'B'." ], "9hg2_9_53903": [ "Residue ATP 502 E: Skipped alternate location(s) 'B'." ], "9hg2_11_53988": [ "Residue ATP 502 F: Skipped alternate location(s) 'B'." ], "9hg2_13_54073": [ "Residue ATP 502 G: Skipped alternate location(s) 'B'." ], "9hg2_15_54158": [ "Residue ATP 502 H: Skipped alternate location(s) 'B'." ], "9hg2_17_54243": [ "Residue ATP 502 I: Skipped alternate location(s) 'B'." ], "9hg2_19_54328": [ "Residue ATP 502 J: Skipped alternate location(s) 'B'." ], "9hg2_21_54413": [ "Residue ATP 502 K: Skipped alternate location(s) 'B'." ], "9hg2_23_54498": [ "Residue ATP 502 L: Skipped alternate location(s) 'B'." ], "9hg2_25_54583": [ "Residue ATP 502 M: Skipped alternate location(s) 'B'." ], "9hg2_27_54668": [ "Residue ATP 502 N: Skipped alternate location(s) 'B'." ], "9hg2_29_54753": [ "Residue ATP 502 O: Skipped alternate location(s) 'B'." ], "9hg2_31_54838": [ "Residue ATP 502 P: Skipped alternate location(s) 'B'." ], "8t8w": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "8t8w_0_1783": [ "Residue ATP 401 A: Skipped alternate location(s) 'B'." ], "8xm3": [ "Residue ATP 601 A: Skipped alternate location(s) 'B'." ], "8xm3_0_4202": [ "Residue ATP 601 A: Skipped alternate location(s) 'B'." ], "8xm4": [ "Residue ATP 601 A: Skipped alternate location(s) 'B'." ], "8xm4_0_4239": [ "Residue ATP 601 A: Skipped alternate location(s) 'B'." ], "9ktj": [ "Line 2517: Only the first model was loaded (the input contains multiple models)." ], "9n5g": [ "Residue ATP 2101 R: Skipped alternate location(s) 'B'." ], "9n5g_0_28928": [ "Residue ATP 2101 R: Skipped alternate location(s) 'B'." ], "9rtj": [ "Line 5101: Only the first model was loaded (the input contains multiple models)." ] }, "Errors": {} } ] }