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UCT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CLBQCBOsing1.74Å1.72Å
CBOCBNdoub1.33Å1.35ÅAromatic
CBOSBPsing1.76Å1.61ÅAromatic
CBNCBMsing1.38Å1.36ÅAromatic
SBPCBLsing1.76Å1.64ÅAromatic
CBMCBLdoub1.33Å1.33ÅAromatic
CBLCBJsing1.51Å1.49Å
OBICBHdoub1.21Å1.19Å
CBCAsing1.53Å1.52Å
CBCBDsing1.53Å1.50Å
CBHCBJsing1.51Å1.52Å
CBHNsing1.35Å1.34Å
CANsing1.47Å1.50Å
CACsing1.51Å1.46Å
CBJCBKsing1.53Å1.57Å
NCBFsing1.47Å1.50Å
CBDCBEsing1.53Å1.53Å
CBECBFsing1.53Å1.50Å
OCdoub1.21Å1.23Å
CAJOAIsing1.43Å1.41Å
COAOsing1.34Å1.39Å
OAICABsing1.36Å1.38Å
OAGCAHsing1.43Å1.49Å
OAGCAAsing1.36Å1.39Å
OAOCAMsing1.45Å1.50Å
CABCAAdoub1.39Å1.40ÅAromatic
CABCACsing1.39Å1.40ÅAromatic
CAACAFsing1.39Å1.39ÅAromatic
CACCADdoub1.38Å1.40ÅAromatic
CAMCALsing1.53Å1.56Å
CAMCANsing1.51Å1.44Å
CAFCAEdoub1.38Å1.42ÅAromatic
CALCAKsing1.53Å1.56Å
CADCAEsing1.38Å1.41ÅAromatic
CADCAKsing1.51Å1.44Å
CANCATdoub1.38Å1.40ÅAromatic
CANCAPsing1.38Å1.40ÅAromatic
CATCASsing1.38Å1.37ÅAromatic
CAPCAQdoub1.39Å1.40ÅAromatic
CASCARdoub1.38Å1.38ÅAromatic
CAQCARsing1.39Å1.39ÅAromatic
CAQOAUsing1.36Å1.40Å
OAUCAVsing1.43Å1.50Å
CAVCAWsing1.51Å1.61Å
CAWOAXdoub1.21Å1.27Å
CAWOAYsing1.34Å1.27Å
CAJHALsing1.09Å1.10Å
CAJHAMsing1.09Å1.10Å
CAJHAKsing1.09Å1.10Å
CACHACsing1.08Å1.08Å
CAHHAHsing1.09Å1.10Å
CAHHAIsing1.09Å1.10Å
CAHHAJsing1.09Å1.10Å
CAFHAFsing1.08Å1.08Å
CAEHAEsing1.08Å1.08Å
CAKHAOsing1.09Å1.10Å
CAKHANsing1.09Å1.10Å
CALHAQsing1.09Å1.10Å
CALHAPsing1.09Å1.10Å
CAMHARsing1.09Å1.10Å
CAPHASsing1.08Å1.08Å
CATHAVsing1.08Å1.08Å
CASHAUsing1.08Å1.08Å
CARHATsing1.08Å1.08Å
CAVHAWsing1.09Å1.10Å
CAVHAXsing1.09Å1.10Å
OAYH1sing0.97Å0.95Å
CAHAsing1.09Å1.10Å
CBHB2sing1.09Å1.10Å
CBHB1sing1.09Å1.10Å
CBDHBDsing1.09Å1.10Å
CBDHB3sing1.09Å1.10Å
CBEHBEsing1.09Å1.10Å
CBEHB4sing1.09Å1.10Å
CBFHB5sing1.09Å1.10Å
CBFHBFsing1.09Å1.10Å
CBJHBJsing1.09Å1.10Å
CBKHBKsing1.09Å1.10Å
CBKHB6sing1.09Å1.10Å
CBKHB7sing1.09Å1.10Å
CBNHBNsing1.08Å1.08Å
CBMHBMsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CLBQCBOCBN126.9°125.2°
CLBQCBOSBP121.6°125.2°
CBNCBOSBP111.5°109.6°
CBOCBNCBM112.3°114.9°
CBOCBNHBN123.8°122.6°
CBOSBPCBL93.1°91.0°
CBNCBMCBL111.6°115.0°
CBMCBNHBN123.9°122.5°
CBNCBMHBM124.2°122.6°
SBPCBLCBM111.4°109.6°
SBPCBLCBJ125.1°125.2°
CBMCBLCBJ123.4°125.2°
CBLCBMHBM124.2°122.5°
CBLCBJCBH114.2°109.4°
CBLCBJCBK104.5°109.5°
CBLCBJHBJ110.5°109.5°
OBICBHCBJ118.0°120.0°
OBICBHN122.4°120.0°
CACBCBD110.3°109.4°
CBCAN108.4°108.8°
CBCAC108.9°109.6°
CBCAHA107.8°109.7°
CACBHB2109.3°109.5°
CACBHB1109.3°109.5°
CBCBDCBE111.4°109.5°
CBDCBHB2109.2°109.5°
CBDCBHB1109.3°109.5°
CBCBDHBD109.0°109.5°
CBCBDHB3109.0°109.4°
CBJCBHN119.6°120.0°
CBHCBJCBK107.9°109.4°
CBHCBJHBJ110.1°109.5°
CBHNCA118.6°120.6°
CBHNCBF123.4°120.6°
NCAC115.3°109.6°
CANCBF117.9°118.7°
NCAHA107.9°109.6°
CACO119.7°120.0°
CACOAO117.6°120.0°
CCAHA108.4°109.6°
CBKCBJHBJ109.5°109.5°
CBJCBKHBK109.5°109.5°
CBJCBKHB6109.5°109.4°
CBJCBKHB7109.5°109.5°
NCBFCBE112.8°108.8°
NCBFHB5108.6°109.6°
NCBFHBF108.6°109.6°
CBDCBECBF110.2°109.3°
CBECBDHBD109.0°109.5°
CBECBDHB3109.0°109.4°
CBDCBEHBE109.3°109.5°
CBDCBEHB4109.3°109.5°
CBFCBEHBE109.3°109.5°
CBFCBEHB4109.3°109.5°
CBECBFHB5108.6°109.7°
CBECBFHBF108.7°109.6°
OCOAO122.7°120.0°
CAJOAICAB122.5°117.0°
OAICAJHAL109.5°109.5°
OAICAJHAM109.5°109.5°
OAICAJHAK109.5°109.5°
COAOCAM121.1°117.0°
OAICABCAA111.8°120.1°
OAICABCAC127.0°120.0°
CAHOAGCAA115.1°117.0°
OAGCAHHAH109.5°109.4°
OAGCAHHAI109.5°109.5°
OAGCAHHAJ109.5°109.5°
OAGCAACAB113.6°120.1°
OAGCAACAF126.4°120.1°
OAOCAMCAL105.1°109.4°
OAOCAMCAN107.4°109.5°
OAOCAMHAR109.4°109.5°
CAACABCAC121.2°119.9°
CABCAACAF119.9°119.9°
CABCACCAD120.4°120.0°
CABCACHAC119.8°120.1°
CAACAFCAE118.7°120.0°
CAACAFHAF120.7°120.0°
CACCADCAE117.9°120.1°
CACCADCAK122.3°119.9°
CADCACHAC119.8°120.0°
CALCAMCAN116.0°109.5°
CAMCALCAK115.1°109.5°
CAMCALHAQ108.1°109.5°
CAMCALHAP108.1°109.5°
CALCAMHAR108.6°109.4°
CAMCANCAT119.4°120.0°
CAMCANCAP122.9°120.0°
CANCAMHAR110.2°109.5°
CAFCAECAD121.8°120.2°
CAECAFHAF120.7°120.0°
CAFCAEHAE119.1°119.9°
CALCAKCAD114.0°109.5°
CALCAKHAO108.4°109.5°
CALCAKHAN108.3°109.5°
CAKCALHAQ108.1°109.5°
CAKCALHAP108.1°109.5°
CAECADCAK119.7°119.9°
CADCAEHAE119.1°119.9°
CADCAKHAO108.3°109.5°
CADCAKHAN108.3°109.5°
CATCANCAP117.6°120.0°
CANCATCAS122.6°120.1°
CANCATHAV118.7°119.9°
CANCAPCAQ119.9°120.0°
CANCAPHAS120.1°120.0°
CATCASCAR118.9°120.0°
CASCATHAV118.7°119.9°
CATCASHAU120.5°120.0°
CAPCAQCAR120.3°119.9°
CAPCAQOAU119.2°120.1°
CAQCAPHAS120.0°120.0°
CASCARCAQ120.6°119.9°
CARCASHAU120.5°120.0°
CASCARHAT119.7°120.1°
CARCAQOAU120.6°120.1°
CAQCARHAT119.7°120.0°
CAQOAUCAV125.2°117.0°
OAUCAVCAW118.3°109.5°
OAUCAVHAW107.2°109.5°
OAUCAVHAX107.2°109.5°
CAVCAWOAX121.1°120.0°
CAVCAWOAY116.2°120.0°
CAWCAVHAW107.2°109.5°
CAWCAVHAX107.2°109.4°
OAXCAWOAY122.5°120.0°
CAWOAYH1109.5°116.9°
HALCAJHAM109.5°109.5°
HALCAJHAK109.5°109.4°
HAMCAJHAK109.4°109.5°
HAHCAHHAI109.5°109.5°
HAHCAHHAJ109.4°109.5°
HAICAHHAJ109.5°109.4°
HAOCAKHAN109.5°109.4°
HAQCALHAP109.4°109.4°
HAWCAVHAX109.5°109.5°
HB2CBHB1109.5°109.5°
HBDCBDHB3109.5°109.4°
HBECBEHB4109.5°109.5°
HB5CBFHBF109.5°109.6°
HBKCBKHB6109.5°109.5°
HBKCBKHB7109.5°109.5°
HB6CBKHB7109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CLBQCBOCBNSBP178.6°179.7°
CLBQCBOCBNCBM177.4°180.0°
CLBQCBOSBPCBL176.8°179.7°
CLBQCBOCBNHBN2.7°0.3°
CBOCBNCBMHBN180.0°179.7°
CBNCBOSBPCBL1.9°0.0°
CBOCBNCBMCBL0.4°0.5°
CBOCBNCBMHBM179.7°179.9°
SBPCBOCBNCBM1.3°0.3°
CBOSBPCBLCBM2.2°0.3°
CBOSBPCBLCBJ174.7°180.0°
SBPCBOCBNHBN178.7°180.0°
CBNCBMCBLSBP1.8°0.5°
CBNCBMCBLHBM180.0°179.6°
CBNCBMCBLCBJ175.1°179.8°
SBPCBLCBMCBJ176.9°179.7°
SBPCBLCBJCBH44.2°60.0°
SBPCBLCBJCBK73.4°59.9°
SBPCBLCBJHBJ168.9°180.0°
SBPCBLCBMHBM178.2°180.0°
CBMCBLCBJCBH139.3°120.3°
CBMCBLCBJCBK103.1°119.7°
CBMCBLCBJHBJ14.6°0.3°
CBLCBMCBNHBN179.7°179.8°
CBLCBJCBHOBI43.3°9.2°
CBLCBJCBHCBK115.7°120.0°
CBLCBJCBHHBJ124.9°120.0°
CBLCBJCBHN134.5°170.7°
CBLCBJCBKHBJ118.3°120.1°
CBLCBJCBKHBK180.0°173.8°
CBLCBJCBKHB660.0°66.2°
CBLCBJCBKHB760.0°53.8°
CBJCBLCBMHBM4.8°0.3°
OBICBHCBJN177.8°179.9°
OBICBHNCA0.9°4.1°
OBICBHCBJCBK72.5°110.8°
OBICBHNCBF176.8°175.8°
OBICBHCBJHBJ168.2°129.2°
CACBCBDHB2120.1°120.0°
CACBCBDHB1120.1°120.0°
CBCANCBH134.5°126.4°
CBCANC122.3°119.8°
CBCANHA116.5°119.9°
CBCACHA117.0°120.4°
CBCANCBF49.4°53.5°
CACBCBDCBE62.7°61.3°
CBCACO48.3°53.7°
CBCACOAO130.0°126.3°
CACBHB2HB1119.6°120.0°
CACBCBDHBD57.6°178.6°
CACBCBDHB3177.0°58.6°
CBDCBCAN56.2°54.6°
CBDCBCAC69.9°174.4°
CBCBDCBEHBD120.3°120.1°
CBCBDCBEHB3120.3°120.0°
CBCBDCBECBF57.0°61.3°
CBDCBCAHA172.7°65.2°
CBDCBHB2HB1119.6°120.1°
CBCBDHBDHB3119.1°119.9°
CBCBDCBEHBE177.1°58.6°
CBCBDCBEHB463.1°178.7°
CBJCBHNCA178.6°175.9°
CBHCBJCBKHBJ119.8°120.0°
CBJCBHNCBF5.6°4.3°
CBHCBJCBKHBK58.1°53.8°
CBHCBJCBKHB6178.1°173.8°
CBHCBJCBKHB761.9°66.2°
CBHNCACBF176.1°179.9°
CBHNCAC103.2°6.5°
NCBHCBJCBK109.8°69.3°
CBHNCBFCBE138.0°126.4°
CBHNCAHA18.0°113.8°
CBHNCBFHB517.5°6.5°
CBHNCBFHBF101.5°113.8°
NCBHCBJHBJ9.6°50.7°
NCACHA121.0°120.3°
CANCBFCBE46.2°53.5°
NCACO170.3°65.6°
NCACOAO8.0°114.4°
NCACBHB2176.3°65.4°
NCACBHB163.9°174.6°
CANCBFHB5166.6°173.4°
CANCBFHBF74.3°66.3°
CCANCBF72.9°173.3°
CACOOAO178.2°180.0°
CACOAOCAM171.4°180.0°
CCACBHB250.2°54.4°
CCACBHB1170.0°65.6°
CBJCBKHBKHB6120.0°120.0°
CBJCBKHBKHB7120.0°120.0°
CBJCBKHB6HB7120.0°120.0°
NCBFCBECBD47.0°54.6°
NCBFCBEHB5120.5°119.8°
NCBFCBEHBF120.5°119.9°
CBFNCAHA165.9°66.4°
NCBFCBEHBE167.1°65.3°
NCBFCBEHB473.1°174.6°
NCBFHB5HBF118.5°120.3°
CBDCBECBFHBE120.1°119.9°
CBDCBECBFHB4120.1°120.0°
CBECBDCBHB2177.2°58.6°
CBECBDCBHB157.4°178.7°
CBECBDHBDHB3119.1°120.0°
CBDCBEHBEHB4119.7°120.1°
CBDCBECBFHB5167.5°174.4°
CBDCBECBFHBF73.5°65.3°
CBFCBECBDHBD63.3°178.6°
CBFCBECBDHB3177.3°58.6°
CBFCBEHBEHB4119.7°120.1°
CBECBFHB5HBF118.5°120.3°
OCOAOCAM6.9°0.0°
OCCAHA68.7°174.2°
CAJOAICABCAA176.9°180.0°
CAJOAICABCAC3.9°0.3°
OAICAJHALHAM120.0°120.1°
OAICAJHALHAK120.0°120.0°
OAICAJHAMHAK120.0°120.0°
COAOCAMCAL114.7°150.0°
COAOCAMCAN121.3°90.0°
COAOCAMHAR1.7°30.0°
OAOCCAHA113.0°5.9°
OAICABCAAOAG1.3°0.0°
OAICABCAACAC179.2°179.7°
OAICABCAACAF179.0°180.0°
OAICABCACCAD178.3°180.0°
CABOAICAJHAL180.0°180.0°
CABOAICAJHAM60.0°60.0°
CABOAICAJHAK60.0°60.0°
OAICABCACHAC1.7°0.0°
CAHOAGCAACAB173.0°180.0°
CAHOAGCAACAF7.3°0.0°
OAGCAHHAHHAI120.0°120.0°
OAGCAHHAHHAJ120.0°120.0°
OAGCAHHAIHAJ120.0°120.0°
OAGCAACABCAF179.7°180.0°
OAGCAACABCAC179.4°179.7°
OAGCAACAFCAE179.4°180.0°
CAAOAGCAHHAH180.0°60.0°
CAAOAGCAHHAI60.0°60.0°
CAAOAGCAHHAJ60.0°179.9°
OAGCAACAFHAF0.5°0.1°
OAOCAMCALCAN118.4°120.0°
OAOCAMCALHAR116.9°120.0°
OAOCAMCANHAR119.1°120.0°
OAOCAMCALCAK158.6°65.0°
OAOCAMCANCAT51.5°40.0°
OAOCAMCANCAP126.2°139.8°
OAOCAMCALHAQ80.5°55.0°
OAOCAMCALHAP37.8°175.0°
CAACABCACCAD0.8°0.3°
CABCAACAFCAE0.9°0.0°
CAACABCACHAC179.2°179.7°
CABCAACAFHAF179.1°180.0°
CACCABCAACAF0.3°0.3°
CABCACCADHAC180.0°180.0°
CABCACCADCAE0.2°0.0°
CABCACCADCAK178.3°180.0°
CAACAFCAEHAF180.0°180.0°
CAACAFCAECAD1.5°0.3°
CAACAFCAEHAE178.4°180.0°
CACCADCAECAF1.0°0.3°
CACCADCAKCAL74.8°90.0°
CACCADCAECAK178.5°180.0°
CACCADCAEHAE179.0°180.0°
CACCADCAKHAO164.5°150.0°
CACCADCAKHAN45.9°30.0°
CALCAMCANHAR123.8°120.0°
CAMCALCAKHAQ120.8°120.0°
CAMCALCAKHAP120.8°120.0°
CAMCALCAKCAD75.9°180.0°
CALCAMCANCAT65.6°80.0°
CALCAMCANCAP116.7°100.3°
CAMCALCAKHAO44.8°60.0°
CAMCALCAKHAN163.5°60.0°
CAMCALHAQHAP117.5°120.0°
CANCAMCALCAK83.0°175.0°
CAMCANCATCAP177.8°179.7°
CAMCANCATCAS176.4°180.0°
CAMCANCAPCAQ179.1°180.0°
CANCAMCALHAQ37.9°65.0°
CANCAMCALHAP156.2°55.0°
CAMCANCAPHAS0.9°0.0°
CAMCANCATHAV3.6°0.0°
CAFCAECADHAE180.0°179.7°
CAFCAECADCAK179.5°179.7°
CALCAKCADCAE106.7°90.0°
CALCAKCADHAO120.7°120.0°
CALCAKCADHAN120.7°120.0°
CALCAKHAOHAN118.0°120.0°
CAKCALHAQHAP117.4°120.0°
CAKCALCAMHAR41.7°55.0°
CAECADCACHAC179.8°180.0°
CADCAECAFHAF178.5°179.7°
CAECADCAKHAO13.9°30.0°
CAECADCAKHAN132.6°150.0°
CAKCADCACHAC1.7°0.0°
CAKCADCAEHAE0.4°0.0°
CADCAKHAOHAN117.9°120.0°
CADCAKCALHAQ163.3°60.0°
CADCAKCALHAP44.9°60.0°
CANCATCASHAV180.0°180.0°
CATCANCAPCAQ1.4°0.2°
CANCATCASCAR3.0°0.0°
CATCANCAMHAR170.6°160.0°
CATCANCAPHAS178.6°179.8°
CANCATCASHAU176.9°180.0°
CAPCANCATCAS1.4°0.2°
CANCAPCAQHAS180.0°180.0°
CANCAPCAQCAR2.4°0.0°
CANCAPCAQOAU179.3°180.0°
CAPCANCAMHAR7.1°19.7°
CAPCANCATHAV178.6°179.8°
CATCASCARHAU180.0°180.0°
CATCASCARCAQ2.0°0.2°
CATCASCARHAT178.1°179.9°
CAPCAQCARCAS0.7°0.2°
CAPCAQCAROAU178.3°180.0°
CAPCAQOAUCAV162.4°180.0°
CAPCAQCARHAT179.2°179.9°
CASCARCAQHAT180.0°179.7°
CASCARCAQOAU179.0°179.8°
CARCASCATHAV177.0°180.0°
CARCAQOAUCAV19.3°0.0°
CARCAQCAPHAS177.6°180.0°
CAQCARCASHAU178.0°179.7°
CAQOAUCAVCAW37.9°180.0°
OAUCAQCAPHAS0.7°0.0°
OAUCAQCARHAT0.9°0.1°
CAQOAUCAVHAW159.2°60.0°
CAQOAUCAVHAX83.3°60.0°
OAUCAVCAWHAW121.3°120.0°
OAUCAVCAWHAX121.3°120.0°
OAUCAVCAWOAX49.1°0.0°
OAUCAVCAWOAY135.6°180.0°
OAUCAVHAWHAX116.0°120.0°
CAVCAWOAXOAY175.1°180.0°
CAWCAVHAWHAX115.9°120.0°
CAVCAWOAYH1175.3°180.0°
OAXCAWCAVHAW72.2°120.0°
OAXCAWCAVHAX170.3°120.0°
OAXCAWOAYH10.0°0.0°
OAYCAWCAVHAW103.2°60.0°
OAYCAWCAVHAX14.3°60.0°
HALCAJHAMHAK120.0°119.9°
HAHCAHHAIHAJ120.0°120.1°
HAFCAFCAEHAE1.5°0.0°
HAOCAKCALHAQ76.1°NaN°
HAOCAKCALHAP165.6°60.0°
HANCAKCALHAQ42.6°60.0°
HANCAKCALHAP75.7°180.0°
HAQCALCAMHAR162.5°175.0°
HAPCALCAMHAR79.2°65.0°
HAVCATCASHAU3.1°0.0°
HAUCASCARHAT1.9°0.1°
HACACBHB267.2°174.8°
HACACBHB152.6°54.8°
HB2CBCBDHBD62.5°61.5°
HB2CBCBDHB356.9°178.6°
HB1CBCBDHBD177.7°58.6°
HB1CBCBDHB362.9°61.3°
HBDCBDCBEHBE56.8°61.5°
HBDCBDCBEHB4176.6°58.6°
HB3CBDCBEHBE62.6°178.6°
HB3CBDCBEHB457.2°61.4°
HBECBECBFHB572.4°54.5°
HBECBECBFHBF46.6°174.8°
HB4CBECBFHB547.4°65.6°
HB4CBECBFHBF166.5°54.7°
HBJCBJCBKHBK61.7°66.2°
HBJCBJCBKHB658.3°53.8°
HBJCBJCBKHB7178.3°173.9°
HBKCBKHB6HB7120.0°120.0°
HBNCBNCBMHBM0.3°0.2°

223532

PDB entries from 2024-08-07

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