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268

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAECACdoub1.38Å1.39ÅAromatic
CAECAJsing1.39Å1.39ÅAromatic
CACCABsing1.38Å1.39ÅAromatic
CABCADdoub1.38Å1.39ÅAromatic
CADCAFsing1.38Å1.39ÅAromatic
CAFCAJdoub1.39Å1.38ÅAromatic
CAJOAIsing1.36Å1.36Å
OAICAHsing1.43Å1.44Å
CAHCAGsing1.53Å1.52Å
CAGOAAsing1.43Å1.41Å
CAEHAEsing1.08Å1.08Å
CACHACsing1.08Å1.08Å
CABHABsing1.08Å1.08Å
CADHADsing1.08Å1.08Å
CAFHAFsing1.08Å1.08Å
CAHHAH1sing1.09Å1.10Å
CAHHAH2sing1.09Å1.10Å
CAGHAG1sing1.09Å1.10Å
CAGHAG2sing1.09Å1.10Å
OAAHAAsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CACCAECAJ119.5°119.9°
CAECACCAB119.5°120.0°
CACCAEHAE120.2°120.0°
CAECACHAC120.3°119.9°
CAECAJCAF120.8°119.9°
CAECAJOAI123.5°120.0°
CAJCAEHAE120.3°120.1°
CACCABCAD120.9°120.1°
CABCACHAC120.3°120.0°
CACCABHAB119.6°119.9°
CABCADCAF119.6°120.1°
CADCABHAB119.6°120.0°
CABCADHAD120.2°119.9°
CADCAFCAJ119.6°119.9°
CAFCADHAD120.1°120.0°
CADCAFHAF120.2°120.0°
CAFCAJOAI115.7°120.0°
CAJCAFHAF120.2°120.1°
CAJOAICAH114.3°117.0°
OAICAHCAG106.8°109.5°
OAICAHHAH1110.4°109.4°
OAICAHHAH2110.9°109.5°
CAHCAGOAA108.0°109.5°
CAGCAHHAH1110.4°109.5°
CAGCAHHAH2111.0°109.6°
CAHCAGHAG1110.0°109.4°
CAHCAGHAG2110.3°109.5°
OAACAGHAG1110.0°109.5°
OAACAGHAG2110.3°109.5°
CAGOAAHAA109.5°114.0°
HAH1CAHHAH2107.4°109.4°
HAG1CAGHAG2108.3°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CACCAECAJHAE180.0°179.8°
CAECACCABHAC180.0°179.9°
CAECACCABCAD0.8°0.0°
CACCAECAJCAF0.2°0.0°
CACCAECAJOAI178.6°180.0°
CAECACCABHAB179.2°180.0°
CAJCAECACCAB0.5°0.0°
CAECAJCAFCAD0.3°0.1°
CAECAJCAFOAI178.9°179.9°
CAECAJOAICAH13.7°179.9°
CAJCAECACHAC179.5°179.9°
CAECAJCAFHAF179.7°180.0°
CACCABCADHAB180.0°180.0°
CACCABCADCAF0.8°0.0°
CABCACCAEHAE179.5°179.8°
CACCABCADHAD179.2°180.0°
CABCADCAFHAD180.0°180.0°
CABCADCAFCAJ0.5°0.0°
CADCABCACHAC179.3°179.9°
CABCADCAFHAF179.5°180.0°
CADCAFCAJHAF180.0°179.9°
CADCAFCAJOAI178.7°180.0°
CAFCADCABHAB179.2°180.0°
CAFCAJOAICAH165.2°0.0°
CAFCAJCAEHAE179.7°179.7°
CAJCAFCADHAD179.5°180.0°
CAJOAICAHCAG162.5°180.0°
OAICAJCAEHAE1.4°0.2°
OAICAJCAFHAF1.4°0.1°
CAJOAICAHHAH142.5°60.0°
CAJOAICAHHAH276.5°59.9°
OAICAHCAGHAH1120.0°119.9°
OAICAHCAGHAH2121.0°120.1°
OAICAHCAGOAA168.2°65.0°
OAICAHHAH1HAH2121.1°120.0°
OAICAHCAGHAG148.2°175.0°
OAICAHCAGHAG271.3°55.1°
CAHCAGOAAHAG1120.0°120.0°
CAHCAGOAAHAG2120.6°120.1°
CAGCAHHAH1HAH2121.1°120.1°
CAHCAGHAG1HAG2120.6°119.9°
CAHCAGOAAHAA4.1°180.0°
OAACAGCAHHAH171.9°55.0°
OAACAGCAHHAH247.1°175.0°
OAACAGHAG1HAG2120.6°120.0°
HAECAECACHAC0.5°0.3°
HACCACCABHAB0.7°0.1°
HABCABCADHAD0.8°0.0°
HADCADCAFHAF0.5°0.1°
HAH1CAHCAGHAG1168.1°65.1°
HAH1CAHCAGHAG248.7°175.0°
HAH2CAHCAGHAG172.9°54.9°
HAH2CAHCAGHAG2167.7°65.0°
HAG1CAGOAAHAA124.1°59.9°
HAG2CAGOAAHAA116.5°60.0°

220113

PDB entries from 2024-05-22

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