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GJQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAWNAUsing1.22Å1.46Å
CASCARdoub1.38Å1.39ÅAromatic
CASCATsing1.38Å1.38ÅAromatic
NAUCATsing1.48Å1.35Å
NAUOAVdoub1.22Å1.45Å
CARCAQsing1.38Å1.37ÅAromatic
CATCAXdoub1.38Å1.41ÅAromatic
CAQCAPsing1.51Å1.41Å
CAQCAYdoub1.38Å1.41ÅAromatic
NAOCAPsing1.47Å1.45Å
NAOCAMdoub1.31Å1.34Å
CAXCAYsing1.38Å1.41ÅAromatic
CL1CABsing1.74Å1.82Å
CAPNAIsing1.47Å1.46Å
NANCAMsing1.38Å1.32Å
CAMNALsing1.34Å1.33Å
CAACABdoub1.38Å1.38ÅAromatic
CAACAHsing1.39Å1.39ÅAromatic
CABCADsing1.39Å1.40ÅAromatic
NAICAHsing1.40Å1.34Å
NAICAJsing1.38Å1.36Å
CAHCAGdoub1.39Å1.39ÅAromatic
NALCAJdoub1.32Å1.34Å
CAJNAKsing1.37Å1.35Å
CADCL2sing1.74Å1.75Å
CADCAFdoub1.38Å1.39ÅAromatic
CAGCAFsing1.38Å1.38ÅAromatic
CAAH1sing1.08Å1.08Å
CAFH2sing1.08Å1.08Å
CAGH3sing1.08Å1.08Å
NAKH5sing0.97Å1.00Å
NAKH6sing0.97Å1.00Å
NANH8sing0.97Å1.00Å
NANH9sing0.97Å1.00Å
CAPH11sing1.09Å1.10Å
CARH12sing1.08Å1.08Å
CASH13sing1.08Å1.08Å
CAXH14sing1.08Å1.08Å
CAYH15sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAWNAUCAT121.9°120.0°
OAWNAUOAV115.4°120.0°
CARCASCAT122.2°120.0°
CASCARCAQ118.4°120.0°
CASCARH12120.8°120.0°
CARCASH13118.9°120.0°
CASCATNAU116.5°120.0°
CASCATCAX119.2°120.0°
CATCASH13118.9°120.0°
CATNAUOAV122.3°120.0°
NAUCATCAX124.3°120.0°
CARCAQCAP113.0°120.0°
CARCAQCAY122.0°120.0°
CAQCARH12120.8°120.0°
CATCAXCAY119.5°120.0°
CATCAXH14120.2°120.0°
CAPCAQCAY125.1°120.0°
CAQCAPNAO110.9°109.7°
CAQCAPNAI119.1°110.0°
CAQCAPH11104.4°109.7°
CAQCAYCAX118.7°120.0°
CAQCAYH15120.6°119.9°
CAPNAOCAM118.6°120.4°
NAOCAPNAI112.8°108.1°
NAOCAPH11104.0°109.7°
NAOCAMNAN117.1°119.0°
NAOCAMNAL122.6°122.0°
CAYCAXH14120.3°120.0°
CAXCAYH15120.7°120.0°
CL1CABCAA117.6°120.0°
CL1CABCAD123.4°120.0°
CAPNAICAH115.3°121.2°
CAPNAICAJ121.0°117.6°
NAICAPH11103.8°109.5°
NANCAMNAL119.6°119.1°
CAMNANH8120.0°119.9°
CAMNANH9120.0°120.0°
CAMNALCAJ122.0°120.9°
CABCAACAH121.1°120.0°
CAACABCAD119.0°120.0°
CABCAAH1119.4°120.0°
CAACAHNAI122.0°120.1°
CAACAHCAG118.8°119.9°
CAHCAAH1119.5°120.0°
CABCADCL2121.4°119.9°
CABCADCAF120.9°120.1°
CAHNAICAJ122.8°121.2°
NAICAHCAG119.1°120.1°
NAICAJNAL118.9°118.6°
NAICAJNAK124.0°120.7°
CAHCAGCAF121.6°120.0°
CAHCAGH3119.2°120.0°
NALCAJNAK117.0°120.7°
CAJNAKH5120.0°120.1°
CAJNAKH6120.0°120.0°
CL2CADCAF117.7°120.0°
CADCAFCAG118.7°120.1°
CADCAFH2120.7°120.0°
CAGCAFH2120.7°120.0°
CAFCAGH3119.2°120.0°
H5NAKH6120.0°120.0°
H8NANH9120.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAWNAUCATCAS2.0°180.0°
OAWNAUCATOAV172.5°180.0°
OAWNAUCATCAX176.3°0.0°
CARCASCATH13180.0°179.9°
CARCASCATNAU179.2°180.0°
CASCARCAQH12180.0°179.9°
CARCASCATCAX0.8°0.1°
CASCARCAQCAP178.6°180.0°
CASCARCAQCAY1.4°0.4°
CASCATNAUCAX178.4°180.0°
CASCATNAUOAV174.5°0.0°
CATCASCARCAQ1.2°0.1°
CASCATCAXCAY0.4°0.3°
CATCASCARH12178.8°180.0°
CASCATCAXH14179.6°180.0°
NAUCATCAXCAY178.7°179.7°
NAUCATCASH130.8°0.0°
NAUCATCAXH141.3°0.0°
OAVNAUCATCAX3.8°180.0°
CARCAQCAPCAY180.0°179.7°
CARCAQCAPNAO94.0°150.3°
CARCAQCAYCAX1.1°0.6°
CARCAQCAPNAI132.6°31.5°
CARCAQCAPH1117.4°89.1°
CAQCARCASH13178.8°180.0°
CARCAQCAYH15178.9°179.7°
CATCAXCAYCAQ0.6°0.5°
CATCAXCAYH14180.0°179.7°
CAXCATCASH13179.3°180.0°
CATCAXCAYH15179.4°179.8°
CAQCAPNAONAI136.5°120.0°
CAQCAPNAOH11111.7°120.6°
CAQCAPNAOCAM158.4°92.6°
CAPCAQCAYCAX178.9°179.8°
CAQCAPNAIH11115.5°120.7°
CAQCAPNAICAH37.8°100.5°
CAQCAPNAICAJ153.0°79.3°
CAPCAQCARH121.4°0.0°
CAPCAQCAYH151.1°0.1°
CAYCAQCAPNAO86.0°30.1°
CAQCAYCAXH15180.0°179.7°
CAYCAQCAPNAI47.4°148.9°
CAYCAQCAPH11162.6°90.6°
CAYCAQCARH12178.6°179.7°
CAQCAYCAXH14179.4°179.8°
NAOCAPNAIH11111.9°119.5°
CAPNAOCAMNAN172.0°177.6°
CAPNAOCAMNAL17.7°2.4°
NAOCAPNAICAH170.4°139.7°
NAOCAPNAICAJ20.3°40.5°
CAMNAOCAPNAI21.9°27.4°
NAOCAMNANNAL170.6°180.0°
NAOCAMNALCAJ9.6°12.9°
NAOCAMNANH80.0°179.9°
NAOCAMNANH9180.0°0.0°
CAMNAOCAPH1189.9°146.8°
CL1CABCAACAD178.3°180.0°
CL1CABCAACAH177.6°180.0°
CL1CABCADCL21.5°0.1°
CL1CABCADCAF179.3°180.0°
CL1CABCAAH12.4°0.3°
CAPNAICAHCAA52.6°112.4°
CAPNAICAHCAJ169.0°179.8°
CAPNAICAHCAG125.1°67.6°
CAPNAICAJNAL13.5°29.6°
CAPNAICAJNAK170.7°150.4°
NANCAMNALCAJ179.7°167.1°
CAMNANH8H9180.0°180.0°
CAMNALCAJNAI7.2°1.3°
CAMNALCAJNAK176.7°178.7°
NALCAMNANH8170.6°0.0°
NALCAMNANH99.4°180.0°
CABCAACAHH1180.0°179.7°
CABCAACAHNAI179.9°180.0°
CABCAACAHCAG2.4°0.0°
CAACABCADCL2179.7°179.9°
CAACABCADCAF1.1°0.0°
CAHCAACABCAD0.8°0.0°
CAACAHNAICAG177.7°180.0°
CAACAHNAICAJ116.5°67.3°
CAACAHCAGCAF2.3°0.0°
CAACAHCAGH3177.7°180.0°
CABCADCL2CAF179.2°179.9°
CABCADCAFCAG1.2°0.1°
CADCABCAAH1179.2°179.8°
CABCADCAFH2178.8°180.0°
CAHNAICAJNAL178.1°150.6°
CAHNAICAJNAK2.2°29.4°
NAICAHCAGCAF180.0°180.0°
NAICAHCAAH10.1°0.2°
NAICAHCAGH30.0°0.0°
CAHNAICAPH1177.7°20.2°
CAJNAICAHCAG65.9°112.6°
NAICAJNALNAK176.2°180.0°
NAICAJNAKH5175.9°5.0°
NAICAJNAKH64.0°174.9°
CAJNAICAPH1191.6°160.0°
CAHCAGCAFCAD0.5°0.0°
CAHCAGCAFH3180.0°180.0°
CAGCAHCAAH1177.6°179.7°
CAHCAGCAFH2179.5°180.0°
NALCAJNAKH50.0°174.9°
NALCAJNAKH6180.0°5.1°
CAJNAKH5H6180.0°179.9°
CL2CADCAFCAG179.6°179.9°
CL2CADCAFH20.4°0.1°
CADCAFCAGH2180.0°180.0°
CADCAFCAGH3179.5°180.0°
H2CAFCAGH30.5°0.0°
H12CARCASH131.2°0.1°
H14CAXCAYH150.6°0.1°

222624

PDB entries from 2024-07-17

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