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BI1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBDNBCsing1.47Å1.47Å
CBDHBD1sing1.09Å1.12Å
CBDHBD2sing1.09Å1.12Å
CBDHBD3sing1.09Å1.11Å
NBCCBEsing1.47Å1.47Å
NBCCBBsing1.47Å1.48Å
CBEHBE1sing1.09Å1.12Å
CBEHBE2sing1.09Å1.11Å
CBEHBE3sing1.09Å1.12Å
CBBCBAsing1.53Å1.53Å
CBBHBB1sing1.09Å1.11Å
CBBHBB2sing1.09Å1.11Å
CBACAYsing1.53Å1.53Å
CBAHBA1sing1.09Å1.12Å
CBAHBA2sing1.09Å1.11Å
CAYNAHsing1.46Å1.47Å
CAYHAY1sing1.09Å1.11Å
CAYHAY2sing1.09Å1.11Å
NAHCAWsing1.36Å1.34ÅAromatic
NAHCAEsing1.38Å1.33ÅAromatic
CAWCAGdoub1.36Å1.33ÅAromatic
CAWHAWsing1.08Å1.10Å
CAECAFsing1.39Å1.39ÅAromatic
CAECADdoub1.41Å1.39ÅAromatic
CAFCAAdoub1.38Å1.39ÅAromatic
CAFHAFsing1.08Å1.10Å
CAACABsing1.39Å1.39ÅAromatic
CAAHAAsing1.08Å1.10Å
CABCACdoub1.38Å1.39ÅAromatic
CABHABsing1.08Å1.10Å
CACCADsing1.39Å1.39ÅAromatic
CACHACsing1.08Å1.10Å
CADCAGsing1.47Å1.39ÅAromatic
CAGCAIsing1.47Å1.39Å
CAICATsing1.48Å1.39Å
CAICAJdoub1.39Å1.39Å
CATOAZdoub1.22Å1.23Å
CATNAUsing1.34Å1.33Å
NAUCAVsing1.34Å1.33Å
NAUHAUsing0.97Å1.02Å
CAVOAXdoub1.21Å1.23Å
CAVCAJsing1.48Å1.39Å
CAJCAKsing1.47Å1.39Å
CAKCAMsing1.47Å1.39ÅAromatic
CAKCALdoub1.36Å1.33ÅAromatic
CAMCAPsing1.39Å1.39ÅAromatic
CAMCANdoub1.40Å1.39ÅAromatic
CAPCAQdoub1.38Å1.39ÅAromatic
CAPHAPsing1.08Å1.10Å
CAQCARsing1.39Å1.39ÅAromatic
CAQHAQsing1.08Å1.10Å
CARCASdoub1.38Å1.39ÅAromatic
CARHARsing1.08Å1.10Å
CASCANsing1.39Å1.39ÅAromatic
CASHASsing1.08Å1.10Å
CANNAOsing1.38Å1.33ÅAromatic
NAOCALsing1.36Å1.34ÅAromatic
NAOHAOsing0.97Å1.02Å
CALHALsing1.08Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NBCCBDHBD1117.5°109.4°
NBCCBDHBD2109.3°109.5°
NBCCBDHBD3109.3°109.5°
CBDNBCCBE117.5°106.7°
CBDNBCCBB116.2°106.7°
HBD1CBDHBD2109.3°109.4°
HBD1CBDHBD3109.3°109.4°
HBD2CBDHBD3100.8°109.5°
CBENBCCBB119.6°106.7°
NBCCBEHBE1117.5°109.5°
NBCCBEHBE2109.3°109.4°
NBCCBEHBE3109.3°109.4°
NBCCBBCBA114.3°109.4°
NBCCBBHBB1110.5°109.5°
NBCCBBHBB2110.4°109.4°
HBE1CBEHBE2109.3°109.5°
HBE1CBEHBE3109.3°109.5°
HBE2CBEHBE3100.8°109.5°
CBACBBHBB1110.5°109.5°
CBACBBHBB2110.5°109.5°
CBBCBACAY113.4°109.4°
CBBCBAHBA1110.8°109.5°
CBBCBAHBA2110.8°109.5°
HBB1CBBHBB299.8°109.5°
CAYCBAHBA1110.8°109.5°
CAYCBAHBA2110.8°109.4°
CBACAYNAH113.9°109.5°
CBACAYHAY1110.6°109.5°
CBACAYHAY2110.6°109.4°
HBA1CBAHBA299.5°109.5°
NAHCAYHAY1110.6°109.4°
NAHCAYHAY2110.6°109.5°
CAYNAHCAW124.5°124.9°
CAYNAHCAE123.3°124.8°
HAY1CAYHAY299.7°109.5°
CAWNAHCAE112.0°110.3°
NAHCAWCAG107.8°109.7°
NAHCAWHAW126.1°125.2°
NAHCAECAF134.2°133.2°
NAHCAECAD104.9°107.4°
CAGCAWHAW126.1°125.2°
CAWCAGCAD107.4°106.6°
CAWCAGCAI120.7°126.7°
CAFCAECAD120.9°119.4°
CAECAFCAA119.3°120.0°
CAECAFHAF120.3°120.1°
CAECADCAC119.5°120.1°
CAECADCAG107.8°106.0°
CAACAFHAF120.3°120.0°
CAFCAACAB120.1°120.7°
CAFCAAHAA119.9°119.7°
CABCAAHAA120.0°119.6°
CAACABCAC120.1°120.3°
CAACABHAB119.9°119.9°
CACCABHAB119.9°119.8°
CABCACCAD120.0°119.7°
CABCACHAC120.0°120.1°
CADCACHAC120.0°120.2°
CACCADCAG132.6°134.0°
CADCAGCAI131.8°126.7°
CAGCAICAT124.2°127.0°
CAGCAICAJ128.2°126.9°
CATCAICAJ107.3°106.1°
CAICATOAZ127.9°125.7°
CAICATNAU105.7°108.7°
CAICAJCAV107.8°106.1°
CAICAJCAK127.7°127.1°
OAZCATNAU126.4°125.7°
CATNAUCAV113.6°110.6°
CATNAUHAU123.2°124.8°
CAVNAUHAU123.2°124.6°
NAUCAVOAX126.9°125.7°
NAUCAVCAJ105.5°108.6°
OAXCAVCAJ127.6°125.7°
CAVCAJCAK124.4°126.9°
CAJCAKCAM132.7°126.7°
CAJCAKCAL119.6°126.8°
CAMCAKCAL107.7°106.5°
CAKCAMCAP133.2°133.9°
CAKCAMCAN107.3°106.0°
CAKCALNAO108.1°109.7°
CAKCALHAL125.9°125.1°
CAPCAMCAN119.5°120.1°
CAMCAPCAQ119.9°119.7°
CAMCAPHAP120.0°120.2°
CAMCANCAS120.9°119.3°
CAMCANNAO105.6°107.5°
CAQCAPHAP120.1°120.1°
CAPCAQCAR120.3°120.3°
CAPCAQHAQ119.9°119.9°
CARCAQHAQ119.8°119.8°
CAQCARCAS119.9°120.6°
CAQCARHAR120.0°119.6°
CASCARHAR120.0°119.8°
CARCASCAN119.4°120.0°
CARCASHAS120.3°120.0°
CANCASHAS120.3°120.0°
CASCANNAO133.4°133.2°
CANNAOCAL111.3°110.3°
CANNAOHAO124.3°124.8°
CALNAOHAO124.4°124.9°
NAOCALHAL125.9°125.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBCCBDHBD1HBD2125.3°120.0°
NBCCBDHBD1HBD3125.3°120.0°
NBCCBDHBD2HBD3115.1°120.1°
CBDNBCCBECBB150.4°113.8°
CBDNBCCBEHBE1180.0°180.0°
CBDNBCCBEHBE254.7°60.0°
CBDNBCCBEHBE354.7°60.0°
CBDNBCCBBCBA144.3°180.0°
CBDNBCCBBHBB119.0°60.0°
CBDNBCCBBHBB290.5°60.0°
HBD1CBDHBD2HBD3115.0°120.0°
HBD1CBDNBCCBE180.0°66.2°
HBD1CBDNBCCBB28.6°180.0°
HBD2CBDNBCCBE54.7°173.8°
HBD2CBDNBCCBB96.6°60.0°
HBD3CBDNBCCBE54.7°53.7°
HBD3CBDNBCCBB153.9°60.0°
NBCCBEHBE1HBE2125.3°120.0°
NBCCBEHBE1HBE3125.3°120.0°
NBCCBEHBE2HBE3115.0°120.0°
CBENBCCBBCBA6.5°66.2°
CBENBCCBBHBB1131.7°53.8°
CBENBCCBBHBB2118.8°173.8°
CBBNBCCBEHBE129.6°66.2°
CBBNBCCBEHBE2154.9°173.8°
CBBNBCCBEHBE395.6°53.8°
NBCCBBCBAHBB1125.3°120.0°
NBCCBBCBAHBB2125.3°119.9°
NBCCBBHBB1HBB2116.3°119.9°
NBCCBBCBACAY74.4°180.0°
NBCCBBCBAHBA1160.3°60.0°
NBCCBBCBAHBA250.8°60.1°
HBE1CBEHBE2HBE3115.1°120.0°
CBACBBHBB1HBB2116.3°120.1°
CBBCBACAYHBA1125.2°120.0°
CBBCBACAYHBA2125.3°120.0°
CBBCBAHBA1HBA2116.7°120.1°
CBBCBACAYNAH79.5°180.0°
CBBCBACAYHAY1155.2°60.0°
CBBCBACAYHAY245.8°60.0°
HBB1CBBCBACAY50.9°60.0°
HBB1CBBCBAHBA174.4°180.0°
HBB1CBBCBAHBA2176.1°59.9°
HBB2CBBCBACAY160.3°60.1°
HBB2CBBCBAHBA135.1°59.9°
HBB2CBBCBAHBA274.4°180.0°
CAYCBAHBA1HBA2116.6°120.0°
CBACAYNAHHAY1125.3°120.0°
CBACAYNAHHAY2125.3°119.9°
CBACAYHAY1HAY2116.4°119.9°
CBACAYNAHCAW32.8°90.0°
CBACAYNAHCAE152.2°90.3°
HBA1CBACAYNAH45.7°60.0°
HBA1CBACAYHAY179.6°180.0°
HBA1CBACAYHAY2171.0°60.0°
HBA2CBACAYNAH155.2°60.0°
HBA2CBACAYHAY129.9°60.0°
HBA2CBACAYHAY279.5°180.0°
NAHCAYHAY1HAY2116.5°120.1°
CAYNAHCAWCAE175.5°179.7°
CAYNAHCAWCAG175.3°180.0°
CAYNAHCAWHAW4.7°0.0°
CAYNAHCAECAF2.5°0.7°
CAYNAHCAECAD175.4°179.9°
HAY1CAYNAHCAW92.5°30.0°
HAY1CAYNAHCAE82.6°149.7°
HAY2CAYNAHCAW158.0°150.0°
HAY2CAYNAHCAE26.9°29.7°
NAHCAWCAGHAW180.0°180.0°
CAWNAHCAECAF178.1°179.6°
CAWNAHCAECAD0.2°0.4°
NAHCAWCAGCAD0.1°0.0°
NAHCAWCAGCAI176.2°180.0°
CAENAHCAWCAG0.2°0.2°
CAENAHCAWHAW179.8°179.7°
NAHCAECAFCAD177.6°179.1°
NAHCAECAFCAA177.4°179.6°
NAHCAECAFHAF2.6°0.6°
NAHCAECADCAC178.1°179.9°
NAHCAECADCAG0.1°0.4°
CAWCAGCADCAE0.0°0.2°
CAWCAGCADCAC178.0°179.9°
CAWCAGCADCAI175.8°180.0°
CAWCAGCAICAT137.4°90.3°
CAWCAGCAICAJ35.9°90.0°
HAWCAWCAGCAD179.9°180.0°
HAWCAWCAGCAI3.8°0.0°
CAECAFCAAHAF180.0°179.8°
CAECAFCAACAB0.2°0.3°
CAECAFCAAHAA179.8°179.8°
CAFCAECADCAC0.1°0.6°
CAFCAECADCAG178.4°179.7°
CADCAECAFCAA0.3°0.5°
CADCAECAFHAF179.7°179.7°
CAECADCACCAB0.1°0.3°
CAECADCACCAG177.7°179.6°
CAECADCACHAC179.9°179.8°
CAECADCAGCAI175.8°179.8°
CAFCAACABHAA180.0°179.9°
CAFCAACABCAC0.1°0.0°
CAFCAACABHAB179.9°180.0°
HAFCAFCAACAB179.8°179.9°
HAFCAFCAAHAA0.2°0.0°
CAACABCACHAB180.0°180.0°
CAACABCACCAD0.2°0.1°
CAACABCACHAC179.8°180.0°
HAACAACABCAC179.9°179.9°
HAACAACABHAB0.1°0.1°
CABCACCADHAC180.0°179.9°
CABCACCADCAG177.6°180.0°
HABCABCACCAD179.8°179.9°
HABCABCACHAC0.2°0.0°
CACCADCAGCAI2.1°0.1°
HACCACCADCAG2.4°0.1°
CADCAGCAICAT38.0°89.7°
CADCAGCAICAJ148.8°90.0°
CAGCAICATCAJ174.5°179.8°
CAGCAICATOAZ4.0°0.2°
CAGCAICATNAU174.1°179.8°
CAGCAICAJCAV173.6°180.0°
CAGCAICAJCAK9.1°0.0°
CAICATOAZNAU177.8°179.6°
CAICATNAUCAV0.0°0.4°
CAICATNAUHAU180.0°179.9°
CATCAICAJCAV0.5°0.2°
CATCAICAJCAK176.7°179.8°
CAJCAICATOAZ178.4°180.0°
CAJCAICATNAU0.3°0.4°
CAICAJCAVNAU0.5°0.0°
CAICAJCAVOAX178.0°180.0°
CAICAJCAVCAK177.4°180.0°
CAICAJCAKCAM34.8°90.2°
CAICAJCAKCAL146.6°89.9°
OAZCATNAUCAV178.1°180.0°
OAZCATNAUHAU1.9°0.2°
CATNAUCAVHAU180.0°179.7°
CATNAUCAVOAX178.1°179.7°
CATNAUCAVCAJ0.4°0.3°
NAUCAVOAXCAJ178.2°180.0°
NAUCAVCAJCAK176.8°180.0°
HAUNAUCAVOAX1.9°0.0°
HAUNAUCAVCAJ179.6°180.0°
OAXCAVCAJCAK4.7°0.0°
CAVCAJCAKCAM142.0°89.7°
CAVCAJCAKCAL36.6°90.1°
CAJCAKCAMCAL178.7°179.9°
CAJCAKCAMCAP1.3°0.7°
CAJCAKCAMCAN179.1°179.8°
CAJCAKCALNAO179.3°179.9°
CAJCAKCALHAL0.7°0.1°
CAKCAMCAPCAN179.5°179.0°
CAKCAMCAPCAQ179.2°179.6°
CAKCAMCAPHAP0.8°0.7°
CAKCAMCANCAS179.4°179.8°
CAKCAMCANNAO0.3°0.3°
CAMCAKCALNAO0.4°0.2°
CAMCAKCALHAL179.6°179.7°
CALCAKCAMCAP180.0°179.5°
CALCAKCAMCAN0.4°0.3°
CAKCALNAOCAN0.2°0.0°
CAKCALNAOHAL180.0°179.9°
CAKCALNAOHAO179.8°179.9°
CAMCAPCAQHAP180.0°179.7°
CAMCAPCAQCAR0.2°0.3°
CAMCAPCAQHAQ179.8°179.7°
CAPCAMCANCAS0.2°0.6°
CAPCAMCANNAO180.0°179.6°
CANCAMCAPCAQ0.4°0.6°
CANCAMCAPHAP179.6°179.7°
CAMCANCASCAR0.1°0.2°
CAMCANCASNAO179.7°179.8°
CAMCANCASHAS179.9°179.7°
CAMCANNAOCAL0.1°0.2°
CAMCANNAOHAO179.9°179.7°
CAPCAQCARHAQ180.0°180.0°
CAPCAQCARCAS0.1°0.0°
CAPCAQCARHAR179.9°180.0°
HAPCAPCAQCAR179.8°180.0°
HAPCAPCAQHAQ0.2°0.0°
CAQCARCASHAR180.0°179.9°
CAQCARCASCAN0.2°0.1°
CAQCARCASHAS179.8°180.0°
HAQCAQCARCAS179.9°180.0°
HAQCAQCARHAR0.1°0.0°
CARCASCANHAS180.0°180.0°
CARCASCANNAO179.6°180.0°
HARCARCASCAN179.8°180.0°
HARCARCASHAS0.2°0.0°
CASCANNAOCAL179.6°180.0°
CASCANNAOHAO0.4°0.2°
HASCASCANNAO0.4°0.1°
CANNAOCALHAO180.0°179.9°
CANNAOCALHAL179.8°179.9°
HAONAOCALHAL0.2°0.0°

223790

PDB entries from 2024-08-14

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