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SummaryGeometryRelated PDB entries

WP5

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
CAPOAOsing1.45Å1.45Å
OAOCsing1.34Å1.34Å
COdoub1.21Å1.23Å
CCAsing1.51Å1.52Å
CANsing1.47Å1.50Å
NCAUsing1.37Å1.44Å
NCAKsing1.47Å1.50Å
CAUCAWsing1.51Å1.53Å
CAUNATdoub1.30Å1.41Å
NATCASsing1.37Å1.42Å
CASCARsing1.40Å1.40ÅAromatic
CASCAJdoub1.40Å1.41ÅAromatic
CARCAQdoub1.38Å1.38ÅAromatic
CAQCAHsing1.38Å1.40ÅAromatic
CAHBRAsing1.89Å1.90Å
CAHCAIdoub1.38Å1.40ÅAromatic
CAICAJsing1.38Å1.39ÅAromatic
CAJCAKsing1.51Å1.53Å
CAKCAEsing1.51Å1.52Å
CAECAFsing1.38Å1.39ÅAromatic
CAECADdoub1.38Å1.39ÅAromatic
CAFCACdoub1.38Å1.38ÅAromatic
CACCABsing1.38Å1.40ÅAromatic
CABCAAdoub1.38Å1.39ÅAromatic
CAACADsing1.38Å1.39ÅAromatic
CAPHAP1sing1.09Å1.10Å
CAPHAP2sing1.09Å1.10Å
CAPHAP3sing1.09Å1.10Å
CAHA1Csing1.09Å1.10Å
CAHA2Csing1.09Å1.10Å
CAKHAKsing1.09Å1.10Å
CAWHAW1sing1.09Å1.10Å
CAWHAW2sing1.09Å1.10Å
CAWHAW3sing1.09Å1.10Å
CARHARsing1.08Å1.08Å
CAQHAQsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CAAHAAsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
CAPOAOC104.1°117.0°
OAOCAPHAP1109.5°109.6°
OAOCAPHAP2109.4°109.5°
OAOCAPHAP3109.5°109.5°
OAOCO118.7°120.0°
OAOCCA118.1°120.0°
OCCA123.0°120.0°
CCAN112.2°109.5°
CCAHA1C108.6°109.4°
CCAHA2C108.0°109.5°
CANCAU120.9°120.7°
CANCAK117.1°120.7°
NCAHA1C108.6°109.4°
NCAHA2C108.0°109.4°
CAUNCAK121.8°118.7°
NCAUCAW120.6°119.7°
NCAUNAT120.1°120.5°
NCAKCAJ113.4°107.8°
NCAKCAE105.9°109.9°
NCAKHAK109.3°109.8°
CAWCAUNAT119.2°119.7°
CAUCAWHAW1109.5°109.5°
CAUCAWHAW2109.5°109.5°
CAUCAWHAW3109.5°109.5°
CAUNATCAS120.4°121.1°
NATCASCAR118.4°120.4°
NATCASCAJ121.6°120.0°
CARCASCAJ119.8°119.5°
CASCARCAQ120.1°119.8°
CASCARHAR120.0°120.1°
CASCAJCAI120.2°120.2°
CASCAJCAK120.9°119.0°
CARCAQCAH119.8°120.3°
CAQCARHAR120.0°120.2°
CARCAQHAQ120.1°119.8°
CAQCAHBRA117.7°119.9°
CAQCAHCAI120.9°120.2°
CAHCAQHAQ120.1°119.9°
BRACAHCAI121.4°119.9°
CAHCAICAJ119.1°119.9°
CAHCAIHAI120.5°120.1°
CAICAJCAK118.8°120.8°
CAJCAIHAI120.4°120.0°
CAJCAKCAE109.4°109.6°
CAJCAKHAK105.8°109.8°
CAKCAECAF119.3°120.0°
CAKCAECAD119.9°120.0°
CAECAKHAK113.2°109.9°
CAFCAECAD120.8°120.0°
CAECAFCAC119.9°120.0°
CAECAFHAF120.1°120.0°
CAECADCAA119.6°120.0°
CAECADHAD120.2°120.0°
CAFCACCAB119.6°120.0°
CACCAFHAF120.1°120.0°
CAFCACHAC120.2°120.0°
CACCABCAA120.6°120.0°
CABCACHAC120.2°120.0°
CACCABHAB119.7°120.0°
CABCAACAD119.5°120.0°
CAACABHAB119.7°120.0°
CABCAAHAA120.3°120.0°
CAACADHAD120.2°120.0°
CADCAAHAA120.3°120.0°
HAP1CAPHAP2109.5°109.5°
HAP1CAPHAP3109.5°109.4°
HAP2CAPHAP3109.5°109.4°
HA1CCAHA2C111.6°109.5°
HAW1CAWHAW2109.5°109.5°
HAW1CAWHAW3109.4°109.4°
HAW2CAWHAW3109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
CAPOAOCO30.3°0.1°
CAPOAOCCA146.2°180.0°
OAOCAPHAP1HAP2120.0°120.1°
OAOCAPHAP1HAP3120.0°120.0°
OAOCAPHAP2HAP3120.0°120.0°
OAOCOCA176.4°179.9°
OAOCCAN116.7°180.0°
COAOCAPHAP153.1°180.0°
COAOCAPHAP266.8°59.9°
COAOCAPHAP3173.1°60.0°
OAOCCAHA1C123.3°60.1°
OAOCCAHA2C2.2°60.0°
OCCAN66.9°0.1°
OCCAHA1C53.0°120.0°
OCCAHA2C174.2°119.9°
CCANHA1C120.0°119.9°
CCANHA2C118.8°120.1°
CCANCAU91.6°90.0°
CCANCAK91.8°90.3°
CCAHA1CHA2C118.9°120.1°
CANCAUCAK176.5°179.8°
CANCAUCAW3.4°30.8°
CANCAUNAT173.1°149.2°
CANCAKCAJ175.3°138.8°
CANCAKCAE64.7°101.8°
NCAHA1CHA2C118.9°120.0°
CANCAKHAK57.6°19.2°
NCAUCAWNAT176.5°180.0°
NCAUNATCAS11.7°0.1°
CAUNCAKCAJ8.1°41.0°
CAUNCAKCAE111.9°78.4°
CAUNCAHA1C148.4°30.0°
CAUNCAHA2C27.3°150.0°
CAUNCAKHAK125.8°160.6°
NCAUCAWHAW1108.6°90.0°
NCAUCAWHAW211.4°150.0°
NCAUCAWHAW3131.4°30.0°
CAKNCAUCAW179.9°149.4°
CAKNCAUNAT3.4°30.6°
NCAKCAJCAS12.4°25.8°
NCAKCAJCAI169.7°154.1°
NCAKCAJCAE118.0°119.6°
NCAKCAJHAK119.7°119.6°
NCAKCAEHAK119.7°120.9°
NCAKCAECAF105.7°140.0°
NCAKCAECAD72.3°39.7°
CAKNCAHA1C28.2°149.8°
CAKNCAHA2C149.4°29.8°
CAWCAUNATCAS171.7°179.9°
CAUCAWHAW1HAW2120.0°120.0°
CAUCAWHAW1HAW3120.0°120.0°
CAUCAWHAW2HAW3120.0°120.0°
CAUNATCASCAR167.2°164.7°
CAUNATCASCAJ7.5°15.3°
NATCAUCAWHAW167.9°90.0°
NATCAUCAWHAW2172.1°30.0°
NATCAUCAWHAW352.1°150.0°
NATCASCARCAJ174.8°180.0°
NATCASCARCAQ177.2°180.0°
NATCASCAJCAI176.9°180.0°
NATCASCAJCAK5.1°0.0°
NATCASCARHAR2.8°0.0°
CASCARCAQHAR180.0°180.0°
CASCARCAQCAH1.2°0.0°
CARCASCAJCAI2.3°0.0°
CARCASCAJCAK179.7°179.9°
CASCARCAQHAQ178.8°180.0°
CAJCASCARCAQ2.4°0.0°
CASCAJCAICAH1.1°0.0°
CASCAJCAICAK178.0°179.9°
CASCAJCAKCAE105.6°93.8°
CASCAJCAKHAK132.1°145.4°
CAJCASCARHAR177.6°180.0°
CASCAJCAIHAI178.9°179.9°
CARCAQCAHHAQ180.0°180.0°
CARCAQCAHBRA179.4°180.0°
CARCAQCAHCAI0.1°0.0°
CAQCAHBRACAI179.4°180.0°
CAQCAHCAICAJ0.1°0.0°
CAHCAQCARHAR178.8°180.0°
CAQCAHCAIHAI179.9°179.9°
BRACAHCAICAJ179.5°180.0°
BRACAHCAQHAQ0.6°0.1°
BRACAHCAIHAI0.5°0.0°
CAHCAICAJHAI180.0°180.0°
CAHCAICAJCAK179.0°179.9°
CAICAHCAQHAQ179.9°180.0°
CAICAJCAKCAE72.3°86.3°
CAICAJCAKHAK50.0°34.5°
CAJCAKCAEHAK117.7°120.7°
CAJCAKCAECAF131.7°101.6°
CAJCAKCAECAD50.3°78.7°
CAKCAJCAIHAI1.0°0.0°
CAKCAECAFCAD178.0°179.7°
CAKCAECAFCAC178.8°180.0°
CAKCAECADCAA179.1°179.8°
CAKCAECAFHAF1.2°0.0°
CAKCAECADHAD0.9°0.0°
CAECAFCACHAF180.0°180.0°
CAECAFCACCAB0.2°0.0°
CAFCAECADCAA1.1°0.5°
CAFCAECAKHAK14.0°19.1°
CAFCAECADHAD178.9°179.7°
CAECAFCACHAC179.8°180.0°
CADCAECAFCAC0.8°0.3°
CAECADCAACAB0.4°0.5°
CAECADCAAHAD180.0°179.8°
CADCAECAKHAK168.0°160.6°
CADCAECAFHAF179.2°179.7°
CAECADCAAHAA179.6°179.7°
CAFCACCABHAC180.0°179.9°
CAFCACCABCAA0.8°0.0°
CAFCACCABHAB179.2°179.9°
CACCABCAAHAB180.0°179.9°
CACCABCAACAD0.5°0.3°
CABCACCAFHAF179.8°179.9°
CACCABCAAHAA179.5°179.9°
CABCAACADHAA180.0°179.8°
CABCAACADHAD179.6°179.7°
CAACABCACHAC179.2°180.0°
CADCAACABHAB179.5°179.9°
HAP1CAPHAP2HAP3120.0°119.9°
HAW1CAWHAW2HAW3120.0°120.0°
HARCARCAQHAQ1.2°0.0°
HAFCAFCACHAC0.2°0.0°
HADCADCAAHAA0.4°0.1°
HACCACCABHAB0.8°0.1°
HABCABCAAHAA0.5°0.1°

219869

PDB entries from 2024-05-15

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