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JJH

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFCBFdoub1.22Å1.25Å
OAECBDdoub1.22Å1.23Å
CBFOAGsing1.35Å1.25Å
CBFCBBsing1.47Å1.40Å
CBDCBBsing1.47Å1.39Å
CBDCBAsing1.47Å1.39Å
CBECBAdoub1.40Å1.39ÅAromatic
CBECBCsing1.37Å1.39ÅAromatic
CBBCAXdoub1.38Å1.39Å
FAACBCsing1.35Å1.35Å
CBACATsing1.41Å1.39ÅAromatic
CBCCAWdoub1.40Å1.39ÅAromatic
CAXNAKsing1.34Å1.40Å
CATNAKsing1.38Å1.35Å
CATCAZdoub1.39Å1.40ÅAromatic
CAWCAZsing1.39Å1.39ÅAromatic
CAWNALsing1.39Å1.34Å
NAKCANsing1.46Å1.49Å
CARCAUsing1.53Å1.47Å
CARCAQsing1.53Å1.54Å
NALCAUsing1.47Å1.47Å
NALCAVsing1.47Å1.48Å
CANCAPsing1.53Å1.53Å
CANCAOsing1.53Å1.53Å
CASCAVsing1.53Å1.48Å
CASCAQsing1.53Å1.54Å
CAYCAQsing1.53Å1.54Å
CAYOADsing1.43Å1.43Å
CAQOACsing1.43Å1.43Å
CBPOAIsing1.43Å1.43Å
CBPCBLsing1.53Å1.53Å
CBKCBLsing1.54Å1.48Å
CBKNAMsing1.47Å1.47Å
CAPCAOsing1.53Å1.52Å
CBICBNdoub1.38Å1.39ÅAromatic
CBICBGsing1.39Å1.39ÅAromatic
CBNCBJsing1.39Å1.39ÅAromatic
CBLOAHsing1.46Å1.43Å
OADCBGsing1.36Å1.36Å
CBGCBHdoub1.39Å1.39ÅAromatic
CBJNAMsing1.40Å1.33Å
CBJCBMdoub1.39Å1.39ÅAromatic
NAMCBOsing1.34Å1.34Å
CBHCBMsing1.38Å1.39ÅAromatic
CBHFABsing1.35Å1.30Å
OAHCBOsing1.34Å1.37Å
CBOOAJdoub1.22Å1.23Å
CANHANsing1.09Å1.10Å
CARHASsing1.09Å1.10Å
CARHATsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAOHAPsing1.09Å1.10Å
CAUHAXsing1.09Å1.10Å
CAUHAWsing1.09Å1.10Å
CAYHA2sing1.09Å1.10Å
CAYHA1sing1.09Å1.10Å
CAVHAYsing1.09Å1.10Å
CAVHAZsing1.09Å1.10Å
OAIHAIsing0.97Å0.95Å
CAXHA0sing1.08Å1.08Å
CAZHA3sing1.08Å1.08Å
CAPHAQsing1.09Å1.10Å
CAPHARsing1.09Å1.10Å
CASHAUsing1.09Å1.10Å
CASHAVsing1.09Å1.10Å
OACHACsing0.97Å0.95Å
OAGH1sing0.97Å0.95Å
CBEHBEsing1.08Å1.08Å
CBIHBIsing1.08Å1.08Å
CBKHBLsing1.09Å1.10Å
CBKHBKsing1.09Å1.10Å
CBLHBMsing1.09Å1.10Å
CBMHBNsing1.08Å1.08Å
CBNHBOsing1.08Å1.08Å
CBPHBPsing1.09Å1.10Å
CBPHBQsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFCBFOAG119.1°120.0°
OAFCBFCBB121.6°120.0°
OAECBDCBB121.5°121.4°
OAECBDCBA119.3°121.4°
OAGCBFCBB119.4°120.0°
CBFOAGH1109.5°116.9°
CBFCBBCBD123.0°120.5°
CBFCBBCAX118.3°120.5°
CBBCBDCBA119.1°117.2°
CBDCBBCAX118.7°118.9°
CBDCBACBE118.3°121.1°
CBDCBACAT121.5°118.6°
CBACBECBC120.5°119.8°
CBECBACAT120.3°120.4°
CBACBEHBE119.8°120.1°
CBECBCFAA119.6°119.8°
CBECBCCAW119.8°120.3°
CBCCBEHBE119.8°120.1°
CBBCAXNAK121.3°122.2°
CBBCAXHA0119.3°118.9°
FAACBCCAW120.5°119.9°
CBACATNAK119.5°120.3°
CBACATCAZ118.8°119.2°
CBCCAWCAZ119.8°120.5°
CBCCAWNAL121.0°119.7°
CAXNAKCAT119.9°122.7°
CAXNAKCAN118.4°118.7°
NAKCAXHA0119.4°118.9°
NAKCATCAZ121.7°120.5°
CATNAKCAN121.6°118.6°
CATCAZCAW120.8°119.8°
CATCAZHA3119.6°120.0°
CAZCAWNAL119.2°119.7°
CAWCAZHA3119.6°120.1°
CAWNALCAU118.9°111.0°
CAWNALCAV122.3°111.0°
NAKCANCAP119.2°117.5°
NAKCANCAO117.1°117.5°
NAKCANHAN116.7°115.6°
CAUCARCAQ108.2°109.3°
CARCAUNAL113.0°109.5°
CAUCARHAS109.8°109.5°
CAUCARHAT109.8°109.6°
CARCAUHAX108.6°109.4°
CARCAUHAW108.6°109.4°
CARCAQCAS109.5°109.1°
CARCAQCAY109.0°109.5°
CARCAQOAC110.2°109.5°
CAQCARHAS109.8°109.4°
CAQCARHAT109.8°109.5°
CAUNALCAV118.5°111.2°
NALCAUHAX108.6°109.5°
NALCAUHAW108.6°109.5°
NALCAVCAS112.8°109.5°
NALCAVHAY108.7°109.4°
NALCAVHAZ108.7°109.4°
CAPCANCAO59.6°60.0°
CANCAPCAO59.9°60.0°
CAPCANHAN115.9°117.5°
CANCAPHAQ120.0°117.5°
CANCAPHAR120.0°117.5°
CANCAOCAP60.5°60.0°
CAOCANHAN116.1°117.5°
CANCAOHAO119.9°117.5°
CANCAOHAP119.9°117.5°
CAVCASCAQ108.1°109.3°
CASCAVHAY108.7°109.5°
CASCAVHAZ108.6°109.5°
CAVCASHAU109.8°109.5°
CAVCASHAV109.8°109.5°
CASCAQCAY108.9°109.6°
CASCAQOAC110.4°109.6°
CAQCASHAU109.8°109.5°
CAQCASHAV109.8°109.5°
CAQCAYOAD110.0°109.5°
CAYCAQOAC108.9°109.5°
CAQCAYHA2109.4°109.5°
CAQCAYHA1109.4°109.5°
CAYOADCBG108.0°117.0°
OADCAYHA2109.3°109.4°
OADCAYHA1109.3°109.5°
CAQOACHAC109.5°113.9°
OAICBPCBL109.6°109.5°
CBPOAIHAI109.5°114.0°
OAICBPHBP109.4°109.4°
OAICBPHBQ109.4°109.5°
CBPCBLCBK111.7°110.5°
CBPCBLOAH115.4°110.5°
CBPCBLHBM109.3°110.5°
CBLCBPHBP109.5°109.5°
CBLCBPHBQ109.5°109.5°
CBLCBKNAM98.1°103.8°
CBKCBLOAH99.3°104.0°
CBLCBKHBL112.2°110.6°
CBLCBKHBK112.2°110.6°
CBKCBLHBM110.1°110.5°
CBKNAMCBJ126.9°125.6°
CBKNAMCBO105.0°108.9°
NAMCBKHBL112.2°110.5°
NAMCBKHBK112.2°110.6°
CAPCAOHAO119.9°117.5°
CAPCAOHAP119.9°117.5°
CAOCAPHAQ120.0°117.5°
CAOCAPHAR120.0°117.5°
CBNCBICBG119.5°120.1°
CBICBNCBJ120.2°120.0°
CBNCBIHBI120.2°120.0°
CBICBNHBO119.9°120.0°
CBICBGOAD122.6°120.0°
CBICBGCBH120.6°119.9°
CBGCBIHBI120.2°119.9°
CBNCBJNAM120.5°120.0°
CBNCBJCBM119.8°120.0°
CBJCBNHBO119.9°120.0°
CBLOAHCBO101.0°109.5°
OAHCBLHBM110.7°110.5°
OADCBGCBH116.7°120.0°
CBGCBHCBM119.8°120.0°
CBGCBHFAB119.6°120.0°
NAMCBJCBM119.7°120.0°
CBJNAMCBO128.0°125.6°
CBJCBMCBH120.1°119.9°
CBJCBMHBN120.0°120.0°
NAMCBOOAH110.9°113.8°
NAMCBOOAJ123.5°123.1°
CBMCBHFAB120.6°120.0°
CBHCBMHBN120.0°120.0°
OAHCBOOAJ125.5°123.1°
HASCARHAT109.5°109.5°
HAOCAOHAP109.5°115.6°
HAXCAUHAW109.5°109.5°
HA2CAYHA1109.4°109.5°
HAYCAVHAZ109.4°109.4°
HAQCAPHAR109.5°115.6°
HAUCASHAV109.5°109.5°
HBLCBKHBK109.5°110.6°
HBPCBPHBQ109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFCBFOAGCBB179.6°179.9°
OAFCBFCBBCBD2.6°179.6°
OAFCBFCBBCAX177.4°0.0°
OAFCBFOAGH10.0°0.0°
OAECBDCBBCBF0.2°0.1°
OAECBDCBBCBA179.9°179.9°
OAECBDCBACBE0.0°0.1°
OAECBDCBBCAX179.8°179.8°
OAECBDCBACAT179.9°180.0°
OAGCBFCBBCBD177.9°0.3°
OAGCBFCBBCAX2.1°180.0°
CBFCBBCBDCAX180.0°179.6°
CBFCBBCBDCBA179.9°179.8°
CBFCBBCAXNAK179.4°180.0°
CBFCBBCAXHA00.6°0.4°
CBBCBFOAGH1179.6°180.0°
CBBCBDCBACBE179.9°180.0°
CBBCBDCBACAT0.1°0.0°
CBDCBBCAXNAK0.6°0.4°
CBDCBBCAXHA0179.4°180.0°
CBDCBACBECAT179.9°180.0°
CBDCBACBECBC180.0°180.0°
CBACBDCBBCAX0.1°0.2°
CBDCBACATNAK0.3°0.0°
CBDCBACATCAZ179.9°179.7°
CBDCBACBEHBE0.0°0.0°
CBACBECBCHBE180.0°179.9°
CBACBECBCFAA180.0°180.0°
CBACBECBCCAW0.2°0.2°
CBECBACATNAK179.8°180.0°
CBECBACATCAZ0.0°0.2°
CBECBCFAACAW179.8°179.8°
CBCCBECBACAT0.1°0.0°
CBECBCCAWCAZ0.7°0.2°
CBECBCCAWNAL179.5°180.0°
CBBCAXNAKHA0180.0°179.6°
CBBCAXNAKCAT0.9°0.5°
CBBCAXNAKCAN179.7°179.5°
FAACBCCAWCAZ179.5°180.0°
FAACBCCAWNAL0.7°0.1°
FAACBCCBEHBE0.0°0.0°
CBACATNAKCAX0.8°0.3°
CBACATNAKCAZ179.8°179.7°
CBACATCAZCAW0.5°0.3°
CBACATNAKCAN179.6°179.7°
CBACATCAZHA3179.5°179.7°
CATCBACBEHBE179.9°180.0°
CBCCAWCAZCAT0.8°0.1°
CBCCAWCAZNAL178.9°179.9°
CBCCAWNALCAU123.9°120.0°
CBCCAWNALCAV63.0°115.8°
CBCCAWCAZHA3179.1°179.9°
CAWCBCCBEHBE179.8°179.8°
CAXNAKCATCAN178.8°180.0°
CAXNAKCATCAZ179.4°180.0°
CAXNAKCANCAP38.6°54.7°
CAXNAKCANCAO107.1°13.9°
CAXNAKCANHAN108.8°159.6°
NAKCATCAZCAW179.3°180.0°
CATNAKCANCAP142.6°125.4°
CATNAKCANCAO74.1°166.0°
CATNAKCANHAN70.0°20.3°
CATNAKCAXHA0179.1°179.9°
NAKCATCAZHA30.7°0.0°
CATCAZCAWHA3180.0°180.0°
CATCAZCAWNAL179.7°179.8°
CAZCATNAKCAN0.7°0.0°
CAZCAWNALCAU55.0°60.1°
CAZCAWNALCAV118.2°64.1°
CAWNALCAUCAR143.6°174.2°
CAWNALCAUCAV173.4°124.1°
CAWNALCAVCAS144.2°174.2°
CAWNALCAUHAX23.1°54.2°
CAWNALCAUHAW95.8°65.8°
CAWNALCAVHAY23.7°65.8°
CAWNALCAVHAZ95.3°54.1°
NALCAWCAZHA30.3°0.2°
NAKCANCAPCAO106.0°107.5°
NAKCANCAPHAN147.7°145.0°
NAKCANCAOHAN144.3°145.0°
NAKCANCAOHAO140.8°145.0°
NAKCANCAOHAP0.1°0.0°
CANNAKCAXHA00.3°0.0°
NAKCANCAPHAQ3.4°0.1°
NAKCANCAPHAR144.5°145.0°
CAUCARCAQHAS119.8°119.9°
CAUCARCAQHAT119.8°120.0°
CARCAUNALHAX120.5°120.0°
CARCAUNALHAW120.5°120.0°
CARCAUNALCAV42.9°61.8°
CAUCARCAQCAS63.8°57.6°
CAUCARCAQCAY177.2°177.6°
CAUCARCAQOAC57.7°62.3°
CAUCARHASHAT120.6°120.2°
CARCAUHAXHAW118.4°119.9°
CAQCARCAUNAL51.8°59.2°
CARCAQCASCAV63.6°57.6°
CARCAQCASCAY119.0°119.9°
CARCAQCASOAC121.4°119.9°
CARCAQCAYOAC120.2°120.1°
CARCAQCAYOAD146.1°179.9°
CAQCARHASHAT120.6°120.1°
CAQCARCAUHAX172.3°179.2°
CAQCARCAUHAW68.8°60.9°
CARCAQCAYHA226.0°60.1°
CARCAQCAYHA193.8°59.9°
CARCAQCASHAU56.3°177.6°
CARCAQCASHAV176.7°62.3°
CARCAQOACHAC180.0°180.0°
CAUNALCAVCAS42.6°61.8°
NALCAUCARHAS171.5°60.7°
NALCAUCARHAT68.0°179.2°
NALCAUHAXHAW118.4°120.0°
CAUNALCAVHAY163.1°58.3°
CAUNALCAVHAZ77.9°178.2°
NALCAVCASHAY120.5°120.0°
NALCAVCASHAZ120.5°120.0°
NALCAVCASCAQ51.2°59.2°
CAVNALCAUHAX163.4°178.3°
CAVNALCAUHAW77.6°58.3°
NALCAVHAYHAZ118.5°119.9°
NALCAVCASHAU68.6°179.1°
NALCAVCASHAV171.0°60.8°
CAPCANCAOHAN106.1°107.5°
CANCAPCAOHAQ109.5°107.4°
CANCAPCAOHAR109.5°107.4°
CAPCANCAOHAO109.6°107.5°
CAPCANCAOHAP109.6°107.5°
CANCAPHAQHAR144.8°145.6°
CANCAOHAOHAP144.5°145.7°
CAVCASCAQHAU119.8°120.0°
CAVCASCAQHAV119.8°120.0°
CAVCASCAQCAY177.4°177.6°
CAVCASCAQOAC57.9°62.2°
CASCAVHAYHAZ118.5°120.0°
CAVCASHAUHAV120.6°120.1°
CASCAQCAYOAC120.4°120.2°
CASCAQCAYOAD94.6°60.2°
CASCAQCARHAS176.4°62.3°
CASCAQCARHAT55.9°177.6°
CASCAQCAYHA2145.3°179.8°
CASCAQCAYHA125.5°59.8°
CAQCASCAVHAY171.7°60.8°
CAQCASCAVHAZ69.3°179.2°
CAQCASHAUHAV120.6°120.1°
CASCAQOACHAC59.0°60.3°
CAQCAYOADHA2120.1°120.0°
CAQCAYOADHA1120.1°120.0°
CAQCAYOADCBG155.3°180.0°
CAYCAQCARHAS57.3°57.7°
CAYCAQCARHAT63.1°62.4°
CAQCAYHA2HA1119.8°120.0°
CAYCAQCASHAU62.8°62.5°
CAYCAQCASHAV57.6°57.6°
CAYCAQOACHAC60.5°60.0°
OADCAYCAQOAC25.9°60.0°
CAYOADCBGCBI83.1°0.3°
CAYOADCBGCBH96.6°180.0°
OADCAYHA2HA1119.7°120.0°
OACCAQCARHAS62.1°177.8°
OACCAQCARHAT177.5°57.7°
OACCAQCAYHA294.2°59.9°
OACCAQCAYHA1146.0°180.0°
OACCAQCASHAU177.7°57.7°
OACCAQCASHAV61.9°177.8°
OAICBPCBLHBP120.0°120.0°
OAICBPCBLHBQ120.0°120.0°
OAICBPCBLCBK179.6°175.0°
OAICBPCBLOAH67.2°70.4°
OAICBPCBLHBM58.3°52.3°
OAICBPHBPHBQ119.9°120.0°
CBPCBLCBKOAH122.2°118.7°
CBPCBLCBKHBM121.6°122.7°
CBPCBLCBKNAM169.1°118.6°
CBPCBLOAHHBM124.8°122.7°
CBPCBLOAHCBO166.7°118.6°
CBLCBPOAIHAI180.0°180.0°
CBPCBLCBKHBL72.7°0.1°
CBPCBLCBKHBK51.0°122.7°
CBLCBPHBPHBQ120.0°120.0°
CBLCBKNAMHBL118.1°118.6°
CBLCBKNAMHBK118.1°118.6°
CBKCBLOAHHBM115.7°118.6°
CBLCBKNAMCBJ152.2°179.7°
CBLCBKNAMCBO30.4°0.0°
CBKCBLOAHCBO47.2°0.0°
CBLCBKHBLHBK125.3°122.8°
CBKCBLCBPHBP60.4°55.0°
CBKCBLCBPHBQ59.6°65.0°
CBKNAMCBJCBN51.6°0.6°
NAMCBKCBLOAH47.0°0.0°
CBKNAMCBJCBO176.8°179.6°
CBKNAMCBJCBM127.8°179.7°
CBKNAMCBOOAH1.5°0.0°
CBKNAMCBOOAJ178.2°179.8°
NAMCBKHBLHBK125.3°122.8°
NAMCBKCBLHBM69.2°118.7°
CAPCAOHAOHAP144.5°145.7°
CAOCAPHAQHAR144.7°145.8°
CBNCBICBGHBI180.0°179.9°
CBICBNCBJHBO180.0°180.0°
CBNCBICBGOAD179.7°180.0°
CBNCBICBGCBH0.0°0.2°
CBICBNCBJNAM179.9°180.0°
CBICBNCBJCBM0.4°0.3°
CBGCBICBNCBJ0.2°0.0°
CBICBGOADCBH179.8°179.7°
CBICBGCBHCBM0.1°0.3°
CBICBGCBHFAB179.8°179.8°
CBGCBICBNHBO179.8°180.0°
CBNCBJNAMCBM179.5°179.7°
CBNCBJNAMCBO131.5°179.8°
CBNCBJCBMCBH0.5°0.3°
CBJCBNCBIHBI179.8°180.0°
CBNCBJCBMHBN179.5°179.7°
CBLOAHCBONAM29.4°0.0°
CBLOAHCBOOAJ151.0°179.8°
OAHCBLCBKHBL165.1°118.6°
OAHCBLCBKHBK71.1°118.6°
OAHCBLCBPHBP172.8°169.6°
OAHCBLCBPHBQ52.8°49.6°
OADCBGCBHCBM179.6°180.0°
OADCBGCBHFAB0.0°0.1°
CBGOADCAYHA235.2°60.0°
CBGOADCAYHA184.6°60.0°
OADCBGCBIHBI0.3°0.0°
CBGCBHCBMCBJ0.3°0.0°
CBGCBHCBMFAB179.7°179.9°
CBHCBGCBIHBI180.0°179.7°
CBGCBHCBMHBN179.7°180.0°
NAMCBJCBMCBH179.9°180.0°
CBJNAMCBOOAH178.9°179.7°
CBJNAMCBOOAJ0.8°0.1°
CBJNAMCBKHBL34.1°61.7°
CBJNAMCBKHBK89.7°61.1°
NAMCBJCBMHBN0.1°0.0°
NAMCBJCBNHBO0.1°0.0°
CBMCBJNAMCBO49.0°0.1°
CBJCBMCBHHBN180.0°180.0°
CBJCBMCBHFAB180.0°180.0°
CBMCBJCBNHBO179.6°179.7°
NAMCBOOAHOAJ179.6°179.8°
CBONAMCBKHBL148.5°118.6°
CBONAMCBKHBK87.7°118.6°
FABCBHCBMHBN0.0°0.0°
CBOOAHCBLHBM68.5°118.7°
HANCANCAOHAO3.5°0.0°
HANCANCAOHAP144.3°145.1°
HANCANCAPHAQ144.2°145.0°
HANCANCAPHAR3.1°0.0°
HASCARCAUHAX67.9°59.3°
HASCARCAUHAW51.0°179.3°
HATCARCAUHAX52.5°60.9°
HATCARCAUHAW171.4°59.1°
HAOCAOCAPHAQ140.9°145.1°
HAOCAOCAPHAR0.2°0.1°
HAPCAOCAPHAQ0.1°0.0°
HAPCAOCAPHAR141.0°145.1°
HAYCAVCASHAU51.9°59.1°
HAYCAVCASHAV68.5°179.2°
HAZCAVCASHAU170.9°60.9°
HAZCAVCASHAV50.5°59.2°
HAIOAICBPHBP59.9°60.0°
HAIOAICBPHBQ60.0°60.0°
HBICBICBNHBO0.2°0.0°
HBLCBKCBLHBM48.9°122.8°
HBKCBKCBLHBM172.7°0.1°
HBMCBLCBPHBP61.7°67.7°
HBMCBLCBPHBQ178.3°172.3°

222415

PDB entries from 2024-07-10

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