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241

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAAOAVsing1.43Å1.42Å
CAAHAA1sing1.09Å1.10Å
CAAHAA2sing1.09Å1.10Å
CAAHAA3sing1.09Å1.10Å
OAVCBCsing1.36Å1.36Å
CBCCANdoub1.39Å1.39ÅAromatic
CBCCAMsing1.39Å1.40ÅAromatic
CAMCAOdoub1.38Å1.40ÅAromatic
CAMHAMsing1.08Å1.08Å
CAOCBFsing1.40Å1.40ÅAromatic
CAOHAOsing1.08Å1.08Å
CANCAPsing1.38Å1.39ÅAromatic
CANHANsing1.08Å1.08Å
CAPCBFdoub1.40Å1.39ÅAromatic
CAPHAPsing1.08Å1.08Å
CBFCAZsing1.48Å1.54Å
CAZOAEdoub1.22Å1.23Å
CAZNBKsing1.35Å1.36Å
NBKCBBsing1.37Å1.34ÅAromatic
NBKCBIsing1.38Å1.34ÅAromatic
CBBCABsing1.51Å1.53Å
CBBCBGdoub1.34Å1.39ÅAromatic
CABHAB1sing1.09Å1.10Å
CABHAB2sing1.09Å1.10Å
CABHAB3sing1.09Å1.10Å
CBICBHdoub1.40Å1.40ÅAromatic
CBICARsing1.39Å1.40ÅAromatic
CARCAQdoub1.38Å1.39ÅAromatic
CARHARsing1.08Å1.08Å
CAQCBEsing1.39Å1.39ÅAromatic
CAQHAQsing1.08Å1.08Å
CBECATdoub1.38Å1.40ÅAromatic
CBEOAXsing1.36Å1.36Å
OAXCBLsing1.43Å1.45Å
CBLFAGsing1.40Å1.33Å
CBLFAIsing1.40Å1.34Å
CBLFAHsing1.40Å1.34Å
CATCBHsing1.40Å1.39ÅAromatic
CATHATsing1.08Å1.08Å
CBHCBGsing1.47Å1.39ÅAromatic
CBGCAUsing1.51Å1.55Å
CAUCBAsing1.51Å1.55Å
CAUHAU1sing1.09Å1.10Å
CAUHAU2sing1.09Å1.10Å
CBACAKdoub1.38Å1.40ÅAromatic
CBACASsing1.38Å1.40ÅAromatic
CASCBDdoub1.39Å1.40ÅAromatic
CASHASsing1.08Å1.08Å
CAKCAJsing1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CAJCALdoub1.38Å1.40ÅAromatic
CAJHAJsing1.08Å1.08Å
CALCBDsing1.39Å1.40ÅAromatic
CALHALsing1.08Å1.08Å
CBDOAWsing1.36Å1.37Å
OAWCBJsing1.43Å1.48Å
CBJCACsing1.53Å1.55Å
CBJCAYsing1.51Å1.55Å
CBJHBJsing1.09Å1.10Å
CACHAC1sing1.09Å1.10Å
CACHAC2sing1.09Å1.10Å
CACHAC3sing1.09Å1.10Å
CAYOAFdoub1.21Å1.25Å
CAYOADsing1.34Å1.25Å
OADHOADsing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAVCAAHAA1109.5°109.4°
OAVCAAHAA2109.5°109.5°
OAVCAAHAA3109.4°109.4°
CAAOAVCBC111.7°117.0°
HAA1CAAHAA2109.5°109.4°
HAA1CAAHAA3109.5°109.5°
HAA2CAAHAA3109.5°109.5°
OAVCBCCAN119.4°119.9°
OAVCBCCAM121.2°120.0°
CANCBCCAM119.4°120.2°
CBCCANCAP120.2°120.1°
CBCCANHAN119.9°120.0°
CBCCAMCAO120.1°120.1°
CBCCAMHAM120.0°119.9°
CAOCAMHAM120.0°120.0°
CAMCAOCBF120.4°119.9°
CAMCAOHAO119.8°120.1°
CBFCAOHAO119.8°120.1°
CAOCBFCAP119.1°119.8°
CAOCBFCAZ124.2°120.1°
CAPCANHAN119.9°120.0°
CANCAPCBF120.9°119.9°
CANCAPHAP119.5°120.0°
CBFCAPHAP119.6°120.1°
CAPCBFCAZ116.7°120.1°
CBFCAZOAE118.4°120.0°
CBFCAZNBK121.9°120.0°
OAECAZNBK119.7°120.0°
CAZNBKCBB126.4°125.1°
CAZNBKCBI124.5°125.2°
CBBNBKCBI109.1°109.6°
NBKCBBCAB126.5°125.0°
NBKCBBCBG109.7°109.9°
NBKCBICBH108.1°107.2°
NBKCBICAR132.4°133.3°
CABCBBCBG123.8°125.1°
CBBCABHAB1109.5°109.5°
CBBCABHAB2109.4°109.5°
CBBCABHAB3109.5°109.5°
CBBCBGCBH105.5°107.2°
CBBCBGCAU127.2°126.4°
HAB1CABHAB2109.5°109.4°
HAB1CABHAB3109.4°109.4°
HAB2CABHAB3109.5°109.4°
CBHCBICAR119.5°119.5°
CBICBHCAT119.6°120.0°
CBICBHCBG107.6°106.1°
CBICARCAQ120.7°120.0°
CBICARHAR119.7°120.0°
CAQCARHAR119.7°120.0°
CARCAQCBE119.9°120.6°
CARCAQHAQ120.1°119.7°
CBECAQHAQ120.0°119.7°
CAQCBECAT119.8°120.2°
CAQCBEOAX119.4°119.9°
CATCBEOAX120.8°119.9°
CBECATCBH120.5°119.6°
CBECATHAT119.8°120.2°
CBEOAXCBL115.9°117.0°
OAXCBLFAG107.7°109.4°
OAXCBLFAI112.3°109.5°
OAXCBLFAH109.3°109.5°
FAGCBLFAI109.7°109.5°
FAGCBLFAH110.0°109.4°
FAICBLFAH107.9°109.5°
CBHCATHAT119.8°120.2°
CATCBHCBG132.8°133.8°
CBHCBGCAU127.2°126.4°
CBGCAUCBA116.7°109.5°
CBGCAUHAU1107.1°109.5°
CBGCAUHAU2105.5°109.5°
CBACAUHAU1107.1°109.5°
CBACAUHAU2105.5°109.5°
CAUCBACAK116.4°120.0°
CAUCBACAS124.1°120.0°
HAU1CAUHAU2115.3°109.5°
CAKCBACAS119.5°120.0°
CBACAKCAJ120.6°120.1°
CBACAKHAK119.7°120.0°
CBACASCBD120.1°120.0°
CBACASHAS119.9°120.0°
CBDCASHAS119.9°120.0°
CASCBDCAL119.5°119.9°
CASCBDOAW122.2°120.1°
CAJCAKHAK119.7°119.9°
CAKCAJCAL119.7°120.1°
CAKCAJHAJ120.2°120.0°
CALCAJHAJ120.2°119.9°
CAJCALCBD120.6°119.9°
CAJCALHAL119.7°120.0°
CBDCALHAL119.7°120.1°
CALCBDOAW118.3°120.1°
CBDOAWCBJ123.9°117.0°
OAWCBJCAC114.3°109.5°
OAWCBJCAY112.2°109.4°
OAWCBJHBJ105.6°109.5°
CACCBJCAY113.8°109.5°
CACCBJHBJ103.7°109.5°
CBJCACHAC1109.5°109.4°
CBJCACHAC2109.5°109.4°
CBJCACHAC3109.4°109.5°
CAYCBJHBJ106.2°109.5°
CBJCAYOAF118.9°120.0°
CBJCAYOAD117.8°120.0°
HAC1CACHAC2109.5°109.5°
HAC1CACHAC3109.4°109.5°
HAC2CACHAC3109.5°109.5°
OAFCAYOAD123.3°120.0°
CAYOADHOAD109.5°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAVCAAHAA1HAA2120.0°120.0°
OAVCAAHAA1HAA3120.0°119.9°
OAVCAAHAA2HAA3120.0°120.0°
CAAOAVCBCCAN10.7°180.0°
CAAOAVCBCCAM170.4°0.3°
HAA1CAAHAA2HAA3120.0°120.0°
HAA1CAAOAVCBC122.9°60.0°
HAA2CAAOAVCBC2.9°59.9°
HAA3CAAOAVCBC117.1°180.0°
OAVCBCCANCAM178.9°179.7°
OAVCBCCAMCAO179.5°180.0°
OAVCBCCAMHAM0.5°0.1°
OAVCBCCANCAP179.7°179.9°
OAVCBCCANHAN0.3°0.1°
CANCBCCAMCAO0.7°0.3°
CANCBCCAMHAM179.3°179.8°
CBCCANCAPHAN180.0°179.9°
CBCCANCAPCBF0.4°0.1°
CBCCANCAPHAP179.6°180.0°
CBCCAMCAOHAM180.0°179.9°
CBCCAMCAOCBF0.0°0.0°
CBCCAMCAOHAO180.0°179.9°
CAMCBCCANCAP0.9°0.2°
CAMCBCCANHAN179.1°179.6°
CAMCAOCBFHAO180.0°180.0°
CAMCAOCBFCAP0.4°0.3°
CAMCAOCBFCAZ179.3°180.0°
HAMCAMCAOCBF179.9°180.0°
HAMCAMCAOHAO0.0°0.0°
CAOCBFCAPCAN0.2°0.3°
CAOCBFCAPCAZ179.7°179.7°
CAOCBFCAPHAP179.8°179.7°
CAOCBFCAZOAE150.3°5.4°
CAOCBFCAZNBK31.9°174.7°
HAOCAOCBFCAP179.6°179.7°
HAOCAOCBFCAZ0.7°0.0°
CANCAPCBFHAP180.0°179.9°
CANCAPCBFCAZ179.5°180.0°
HANCANCAPCBF179.6°180.0°
HANCANCAPHAP0.4°0.1°
CAPCBFCAZOAE30.0°174.9°
CAPCBFCAZNBK147.8°5.0°
HAPCAPCBFCAZ0.5°0.0°
CBFCAZOAENBK177.9°179.9°
CBFCAZNBKCBB144.4°84.7°
CBFCAZNBKCBI36.4°95.0°
OAECAZNBKCBB37.8°95.4°
OAECAZNBKCBI141.4°84.9°
CAZNBKCBBCBI179.3°179.8°
CAZNBKCBBCAB0.5°0.1°
CAZNBKCBBCBG179.3°180.0°
CAZNBKCBICBH179.8°180.0°
CAZNBKCBICAR0.0°0.0°
NBKCBBCABCBG179.8°179.9°
NBKCBBCABHAB19.6°90.0°
NBKCBBCABHAB2129.5°150.1°
NBKCBBCABHAB3110.4°30.1°
CBBNBKCBICBH0.5°0.2°
CBBNBKCBICAR179.3°179.8°
NBKCBBCBGCBH0.5°0.1°
NBKCBBCBGCAU178.2°180.0°
CBINBKCBBCAB179.8°179.7°
CBINBKCBBCBG0.0°0.2°
NBKCBICBHCAR179.8°180.0°
NBKCBICARCAQ179.6°180.0°
NBKCBICARHAR0.4°0.0°
NBKCBICBHCAT179.6°180.0°
NBKCBICBHCBG0.9°0.1°
CBBCABHAB1HAB2120.0°120.0°
CBBCABHAB1HAB3120.0°120.1°
CBBCABHAB2HAB3120.0°120.0°
CABCBBCBGCBH179.7°179.8°
CABCBBCBGCAU2.0°0.1°
CBGCBBCABHAB1170.2°89.9°
CBGCBBCABHAB250.3°30.1°
CBGCBBCABHAB369.8°150.0°
CBBCBGCBHCBI0.8°0.0°
CBBCBGCBHCAT179.8°179.9°
CBBCBGCBHCAU177.7°179.9°
CBBCBGCAUCBA91.8°90.0°
CBBCBGCAUHAU1148.2°149.9°
CBBCBGCAUHAU224.9°30.0°
HAB1CABHAB2HAB3120.0°119.9°
CBHCBICARCAQ0.6°0.0°
CBHCBICARHAR179.4°180.0°
CBICBHCATCBE0.1°0.1°
CBICBHCATCBG179.4°179.9°
CBICBHCATHAT179.9°180.0°
CBICBHCBGCAU178.5°179.8°
CBICARCAQHAR180.0°179.9°
CBICARCAQCBE0.1°0.1°
CBICARCAQHAQ180.0°180.0°
CARCBICBHCAT0.5°0.0°
CARCBICBHCBG179.0°179.9°
CARCAQCBEHAQ180.0°180.0°
CARCAQCBECAT0.5°0.0°
CARCAQCBEOAX179.4°180.0°
HARCARCAQCBE180.0°180.0°
HARCARCAQHAQ0.0°0.1°
CAQCBECATOAX178.8°180.0°
CAQCBEOAXCBL92.0°0.0°
CAQCBECATCBH0.6°0.1°
CAQCBECATHAT179.4°179.9°
HAQCAQCBECAT179.4°180.0°
HAQCAQCBEOAX0.6°0.0°
CATCBEOAXCBL89.1°180.0°
CBECATCBHHAT180.0°179.9°
CBECATCBHCBG179.4°179.8°
CBEOAXCBLFAG60.0°60.0°
CBEOAXCBLFAI60.9°59.9°
CBEOAXCBLFAH179.4°180.0°
OAXCBECATCBH179.4°180.0°
OAXCBECATHAT0.6°0.1°
OAXCBLFAGFAI122.5°120.0°
OAXCBLFAGFAH119.1°120.0°
OAXCBLFAIFAH120.5°120.1°
FAGCBLFAIFAH119.7°120.0°
CATCBHCBGCAU2.1°0.0°
HATCATCBHCBG0.5°0.1°
CBHCBGCAUCBA91.1°89.8°
CBHCBGCAUHAU128.9°30.2°
CBHCBGCAUHAU2152.3°150.2°
CBGCAUCBAHAU1120.0°120.0°
CBGCAUCBAHAU2116.7°120.0°
CBGCAUHAU1HAU2117.0°120.0°
CBGCAUCBACAK165.7°90.0°
CBGCAUCBACAS15.1°89.8°
CBACAUHAU1HAU2117.0°120.0°
CAUCBACAKCAS179.2°179.8°
CAUCBACASCBD178.8°180.0°
CAUCBACASHAS1.1°0.0°
CAUCBACAKCAJ179.6°179.9°
CAUCBACAKHAK0.4°0.0°
HAU1CAUCBACAK45.7°30.0°
HAU1CAUCBACAS135.1°150.3°
HAU2CAUCBACAK77.6°150.0°
HAU2CAUCBACAS101.6°30.3°
CAKCBACASCBD0.3°0.2°
CAKCBACASHAS179.7°179.8°
CBACAKCAJHAK180.0°179.9°
CBACAKCAJCAL0.1°0.1°
CBACAKCAJHAJ179.9°179.9°
CBACASCBDHAS180.0°179.9°
CASCBACAKCAJ0.4°0.2°
CASCBACAKHAK179.6°179.7°
CBACASCBDCAL1.3°0.0°
CBACASCBDOAW178.6°180.0°
CASCBDCALCAJ1.6°0.2°
CASCBDCALOAW177.4°180.0°
CASCBDCALHAL178.4°180.0°
CASCBDOAWCBJ87.7°177.2°
HASCASCBDCAL178.7°179.9°
HASCASCBDOAW1.4°0.1°
CAKCAJCALHAJ180.0°180.0°
CAKCAJCALCBD0.9°0.2°
CAKCAJCALHAL179.1°180.0°
HAKCAKCAJCAL179.9°179.9°
HAKCAKCAJHAJ0.1°0.1°
CAJCALCBDHAL180.0°179.8°
CAJCALCBDOAW179.0°179.8°
HAJCAJCALCBD179.1°179.7°
HAJCAJCALHAL0.9°0.0°
CALCBDOAWCBJ95.0°2.7°
HALCALCBDOAW1.0°0.0°
CBDOAWCBJCAC58.1°83.2°
CBDOAWCBJCAY73.3°156.8°
CBDOAWCBJHBJ171.4°36.9°
OAWCBJCACCAY130.6°120.0°
OAWCBJCACHBJ114.4°120.0°
OAWCBJCAYHBJ114.9°120.0°
OAWCBJCACHAC1167.0°180.0°
OAWCBJCACHAC273.0°60.0°
OAWCBJCACHAC347.0°60.0°
OAWCBJCAYOAF59.6°0.0°
OAWCBJCAYOAD119.4°180.0°
CACCBJCAYHBJ113.4°120.1°
CBJCACHAC1HAC2120.0°119.9°
CBJCACHAC1HAC3120.0°120.0°
CBJCACHAC2HAC3120.0°120.0°
CACCBJCAYOAF72.1°120.0°
CACCBJCAYOAD108.9°60.0°
CAYCBJCACHAC136.3°60.0°
CAYCBJCACHAC2156.3°180.0°
CAYCBJCACHAC383.6°60.0°
CBJCAYOAFOAD179.0°180.0°
CBJCAYOADHOAD178.9°180.0°
HBJCBJCACHAC178.6°60.0°
HBJCBJCACHAC241.4°60.0°
HBJCBJCACHAC3161.4°180.0°
HBJCBJCAYOAF174.5°120.0°
HBJCBJCAYOAD4.5°60.0°
HAC1CACHAC2HAC3120.0°120.1°
OAFCAYOADHOAD0.0°0.0°

222415

PDB entries from 2024-07-10

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