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Y0X

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O2Sdoub1.42Å1.48Å
CAXSsing1.76Å1.64Å
SO1doub1.42Å1.47Å
SO4sing1.52Å1.47Å
O4HO4sing0.97Å0.95Å
CAAOBGsing1.43Å1.46Å
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CABOBHsing1.43Å1.44Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
NACCBIsing1.39Å1.37Å
NACHNACsing0.97Å1.00Å
NACHNAAsing0.97Å1.00Å
CBJNADsing1.39Å1.40Å
NADHNADsing0.97Å1.00Å
NADHNABsing0.97Å1.00Å
OAESCBdoub1.42Å1.50Å
OAFSCBdoub1.42Å1.50Å
OAGSCCdoub1.42Å1.46Å
SCCOAHdoub1.42Å1.42Å
SCDOAIdoub1.42Å1.45Å
OAJSCDdoub1.42Å1.43Å
OAKCBMsing1.36Å1.37Å
OAKHOAKsing0.97Å0.95Å
CBNOALsing1.36Å1.37Å
OALHOALsing0.97Å0.95Å
OAMSCBsing1.52Å1.50Å
OAMHOAMsing0.97Å0.95Å
SCCOANsing1.52Å1.44Å
OANHOANsing0.97Å0.95Å
SCDOAOsing1.52Å1.46Å
OAOHOAOsing0.97Å0.95Å
CARCAPdoub1.38Å1.42ÅAromatic
CAPCBKsing1.39Å1.42ÅAromatic
CAPHAPsing1.08Å1.08Å
CBLCAQdoub1.40Å1.41ÅAromatic
CAQCASsing1.38Å1.41ÅAromatic
CAQHAQsing1.08Å1.08Å
OBGCARsing1.36Å1.39Å
CARCBQsing1.40Å1.41ÅAromatic
CASCBRdoub1.40Å1.39ÅAromatic
CASHASsing1.08Å1.08Å
CAWCATdoub1.36Å1.38ÅAromatic
CBOCATsing1.41Å1.41ÅAromatic
CATHATsing1.08Å1.08Å
CAUCBPdoub1.41Å1.40ÅAromatic
CAUCAYsing1.36Å1.40ÅAromatic
CAUHAUsing1.08Å1.08Å
CBUCAVdoub1.39Å1.41ÅAromatic
CAVCAXsing1.36Å1.40ÅAromatic
CAVHAVsing1.08Å1.08Å
CBXCAWsing1.41Å1.41ÅAromatic
CAWHAWsing1.08Å1.08Å
CAXCBXdoub1.40Å1.49ÅAromatic
CAYCBYdoub1.41Å1.41ÅAromatic
CAYHAYsing1.08Å1.08Å
CBSCAZsing1.38Å1.42ÅAromatic
CBKCAZdoub1.40Å1.41ÅAromatic
CAZHAZsing1.08Å1.08Å
CBLCBAsing1.40Å1.41ÅAromatic
CBACBTdoub1.38Å1.43ÅAromatic
CBAHBAsing1.08Å1.08Å
CBWCBBdoub1.36Å1.41ÅAromatic
CBBCBVsing1.39Å1.43ÅAromatic
CBBHBBsing1.08Å1.08Å
CBONBCsing1.36Å1.41Å
NBENBCdoub1.29Å1.32Å
NBFNBDdoub1.29Å1.38Å
NBDCBPsing1.36Å1.33Å
NBECBQsing1.36Å1.42Å
CBRNBFsing1.36Å1.39Å
CBTOBHsing1.36Å1.41Å
CBUCBIsing1.38Å1.48ÅAromatic
CBICBZdoub1.41Å1.51ÅAromatic
CCACBJsing1.41Å1.44ÅAromatic
CBJCBVdoub1.38Å1.40ÅAromatic
CBKCBLsing1.48Å1.51Å
CBZCBMsing1.41Å1.40ÅAromatic
CBMCBOdoub1.40Å1.41ÅAromatic
CBPCBNsing1.40Å1.51ÅAromatic
CBNCCAdoub1.41Å1.47ÅAromatic
CBQCBSdoub1.40Å1.41ÅAromatic
CBTCBRsing1.40Å1.38ÅAromatic
CBSHBSsing1.08Å1.08Å
SCBCBUsing1.76Å1.63Å
CBVSCDsing1.76Å1.66Å
CBYCBWsing1.40Å1.44ÅAromatic
SCCCBWsing1.76Å1.69Å
CBZCBXsing1.42Å1.40ÅAromatic
CBYCCAsing1.42Å1.42ÅAromatic
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O2SCAX106.3°106.4°
O2SO1109.2°123.1°
O2SO4107.8°106.3°
CAXSO1106.7°106.4°
CAXSO4109.3°107.2°
SCAXCAV121.6°120.0°
SCAXCBX118.8°120.0°
O1SO4117.1°106.4°
SO4HO4109.5°114.0°
OBGCAAHAA109.5°109.4°
OBGCAAHAAA109.5°109.4°
OBGCAAHAAB109.5°109.5°
CAAOBGCAR124.4°117.0°
HAACAAHAAA109.5°109.6°
HAACAAHAAB109.4°109.5°
HAAACAAHAAB109.5°109.5°
OBHCABHAB109.5°109.5°
OBHCABHABA109.5°109.5°
OBHCABHABB109.5°109.5°
CABOBHCBT118.0°117.0°
HABCABHABA109.4°109.4°
HABCABHABB109.5°109.4°
HABACABHABB109.5°109.5°
CBINACHNAC109.5°120.0°
CBINACHNAA109.4°120.1°
NACCBICBU119.2°120.3°
NACCBICBZ122.8°120.3°
HNACNACHNAA109.4°120.0°
CBJNADHNAD109.5°120.0°
CBJNADHNAB109.5°120.1°
NADCBJCCA120.5°120.3°
NADCBJCBV118.3°120.3°
HNADNADHNAB109.4°119.9°
OAESCBOAF105.9°123.2°
OAESCBOAM114.1°106.4°
OAESCBCBU103.0°106.4°
OAFSCBOAM118.6°106.4°
OAFSCBCBU112.3°106.4°
OAGSCCOAH111.1°123.2°
OAGSCCOAN109.5°106.4°
OAGSCCCBW109.5°106.4°
OAHSCCOAN116.1°106.4°
OAHSCCCBW104.2°106.4°
OAISCDOAJ111.8°123.2°
OAISCDOAO110.0°106.4°
OAISCDCBV107.7°106.4°
OAJSCDOAO108.6°106.4°
OAJSCDCBV110.0°106.4°
CBMOAKHOAK109.5°114.0°
OAKCBMCBZ118.2°120.3°
OAKCBMCBO121.1°120.4°
CBNOALHOAL109.5°114.0°
OALCBNCBP118.6°120.4°
OALCBNCCA122.3°120.3°
SCBOAMHOAM109.5°113.9°
OAMSCBCBU101.9°107.2°
SCCOANHOAN109.5°114.0°
OANSCCCBW106.1°107.2°
SCDOAOHOAO109.5°114.0°
OAOSCDCBV108.7°107.2°
CARCAPCBK118.3°119.9°
CARCAPHAP120.8°120.0°
CAPCAROBG120.9°120.1°
CAPCARCBQ119.6°119.8°
CBKCAPHAP120.9°120.1°
CAPCBKCAZ121.8°120.2°
CAPCBKCBL114.1°119.9°
CBLCAQCAS117.7°120.2°
CBLCAQHAQ121.1°119.9°
CAQCBLCBA121.9°120.1°
CAQCBLCBK125.2°120.0°
CASCAQHAQ121.1°119.9°
CAQCASCBR120.7°120.0°
CAQCASHAS119.7°120.0°
OBGCARCBQ119.6°120.1°
CARCBQNBE119.5°120.0°
CARCBQCBS121.6°119.9°
CBRCASHAS119.7°120.0°
CASCBRNBF122.1°120.1°
CASCBRCBT121.5°119.9°
CAWCATCBO119.0°120.9°
CAWCATHAT120.5°119.5°
CATCAWCBX120.0°120.2°
CATCAWHAW120.0°120.0°
CBOCATHAT120.5°119.6°
CATCBONBC119.2°119.8°
CATCBOCBM120.5°120.3°
CBPCAUCAY119.6°120.9°
CBPCAUHAU120.2°119.6°
CAUCBPNBD119.8°119.8°
CAUCBPCBN119.3°120.3°
CAYCAUHAU120.2°119.5°
CAUCAYCBY123.5°120.2°
CAUCAYHAY118.2°119.9°
CBUCAVCAX123.8°121.1°
CBUCAVHAV118.1°119.5°
CAVCBUCBI118.4°120.7°
CAVCBUSCB120.4°119.7°
CAXCAVHAV118.1°119.5°
CAVCAXCBX119.6°120.1°
CBXCAWHAW120.0°119.8°
CAWCBXCAX119.1°120.9°
CAWCBXCBZ121.8°119.7°
CAXCBXCBZ119.1°119.4°
CBYCAYHAY118.2°119.8°
CAYCBYCBW119.0°120.9°
CAYCBYCCA120.3°119.7°
CBSCAZCBK119.2°120.2°
CBSCAZHAZ120.4°120.0°
CAZCBSCBQ119.2°120.0°
CAZCBSHBS120.4°120.0°
CBKCAZHAZ120.4°119.9°
CAZCBKCBL123.5°120.0°
CBLCBACBT118.1°120.0°
CBLCBAHBA120.9°120.0°
CBACBLCBK112.6°119.9°
CBTCBAHBA120.9°120.0°
CBACBTOBH120.7°120.1°
CBACBTCBR119.8°119.8°
CBWCBBCBV121.1°121.1°
CBWCBBHBB119.4°119.4°
CBBCBWCBY118.8°120.0°
CBBCBWSCC118.7°120.0°
CBVCBBHBB119.4°119.4°
CBBCBVCBJ119.4°120.6°
CBBCBVSCD118.7°119.7°
CBONBCNBE121.9°120.0°
NBCCBOCBM120.2°119.9°
NBCNBECBQ121.0°120.0°
NBFNBDCBP124.1°120.0°
NBDNBFCBR121.9°120.0°
NBDCBPCBN120.9°119.9°
NBECBQCBS118.4°120.1°
NBFCBRCBT116.4°120.0°
OBHCBTCBR119.5°120.1°
CBUCBICBZ118.0°119.4°
CBICBUSCB121.1°119.7°
CBICBZCBM121.0°121.1°
CBICBZCBX121.1°119.4°
CCACBJCBV121.2°119.4°
CBJCCACBN122.9°121.1°
CBJCCACBY118.8°119.4°
CBJCBVSCD122.0°119.6°
CBZCBMCBO120.7°119.3°
CBMCBZCBX117.9°119.6°
CBPCBNCCA119.0°119.3°
CBNCCACBY118.2°119.6°
CBQCBSHBS120.4°120.0°
CBYCBWSCC122.5°120.0°
CBWCBYCCA120.7°119.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O2SCAXO1116.4°132.9°
O2SCAXO4116.1°113.5°
O2SO1O4122.8°122.9°
O2SO4HO40.0°66.5°
O2SCAXCAV4.7°143.5°
O2SCAXCBX175.4°36.5°
CAXSO1O4122.7°114.2°
CAXSO4HO4115.1°179.9°
SCAXCAVCBU179.6°179.7°
SCAXCAVCBX179.9°180.0°
SCAXCAVHAV0.3°0.0°
SCAXCBXCAW0.9°0.0°
SCAXCBXCBZ179.8°180.0°
O1SO4HO4123.5°66.3°
O1SCAXCAV111.7°83.6°
O1SCAXCBX68.2°96.4°
O4SCAXCAV120.8°30.0°
O4SCAXCBX59.3°150.0°
OBGCAAHAAHAAA120.0°120.0°
OBGCAAHAAHAAB120.0°119.9°
OBGCAAHAAAHAAB120.0°120.0°
CAAOBGCARCAP10.0°0.0°
CAAOBGCARCBQ170.2°180.0°
HAACAAHAAAHAAB120.0°120.1°
HAACAAOBGCAR180.0°180.0°
HAAACAAOBGCAR60.0°60.0°
HAABCAAOBGCAR60.0°60.0°
OBHCABHABHABA120.0°120.1°
OBHCABHABHABB120.0°120.0°
OBHCABHABAHABB120.0°120.1°
CABOBHCBTCBA13.6°0.0°
CABOBHCBTCBR166.1°179.2°
HABCABHABAHABB120.0°119.9°
HABCABOBHCBT180.0°60.0°
HABACABOBHCBT60.0°60.0°
HABBCABOBHCBT60.0°180.0°
CBINACHNACHNAA120.0°180.0°
NACCBICBUCAV179.4°179.4°
NACCBICBUCBZ178.7°180.0°
NACCBICBZCBM0.1°0.0°
NACCBICBUSCB0.2°0.0°
NACCBICBZCBX179.6°179.7°
HNACNACCBICBU180.0°30.5°
HNACNACCBICBZ1.3°149.5°
HNAANACCBICBU60.0°149.5°
HNAANACCBICBZ118.7°30.5°
CBJNADHNADHNAB120.0°180.0°
NADCBJCBVCBB179.5°180.0°
NADCBJCCACBV177.4°180.0°
NADCBJCCACBN2.1°0.0°
NADCBJCBVSCD1.4°0.0°
NADCBJCCACBY179.7°180.0°
HNADNADCBJCCA180.0°149.6°
HNADNADCBJCBV2.5°30.4°
HNABNADCBJCCA60.0°30.4°
HNABNADCBJCBV122.5°149.6°
OAESCBOAFOAM129.7°123.0°
OAESCBOAFCBU111.8°123.0°
OAESCBOAMCBU110.3°113.5°
OAESCBOAMHOAM0.0°66.4°
OAESCBCBUCAV7.9°83.5°
OAESCBCBUCBI173.0°97.1°
OAFSCBOAMCBU123.8°113.5°
OAFSCBOAMHOAM125.9°66.6°
OAFSCBCBUCAV121.4°143.5°
OAFSCBCBUCBI59.5°35.9°
OAGSCCOAHOAN126.0°123.0°
OAGSCCOAHCBW117.8°122.9°
OAGSCCOANCBW118.1°113.5°
OAGSCCOANHOAN0.0°66.4°
OAGSCCCBWCBB121.6°83.5°
OAGSCCCBWCBY57.8°96.4°
OAHSCCOANCBW115.2°113.5°
OAHSCCOANHOAN126.8°66.5°
OAHSCCCBWCBB2.7°143.6°
OAHSCCCBWCBY176.7°36.5°
OAISCDOAJOAO121.6°122.9°
OAISCDOAJCBV119.5°123.0°
OAISCDOAOCBV117.7°113.6°
OAISCDOAOHOAO122.7°66.5°
OAISCDCBVCBB11.3°143.5°
OAISCDCBVCBJ170.6°36.4°
OAJSCDOAOCBV119.6°113.5°
OAJSCDOAOHOAO0.0°66.5°
OAJSCDCBVCBB133.3°83.5°
OAJSCDCBVCBJ48.6°96.5°
OAKCBMCBOCAT179.8°180.0°
OAKCBMCBONBC4.1°0.0°
OAKCBMCBZCBI1.5°0.1°
OAKCBMCBZCBO178.2°179.9°
OAKCBMCBZCBX178.0°179.7°
HOAKOAKCBMCBZ180.0°90.0°
HOAKOAKCBMCBO1.8°90.0°
OALCBNCBPCAU179.4°179.9°
OALCBNCBPNBD2.4°0.0°
OALCBNCCACBJ2.6°0.0°
OALCBNCBPCCA177.9°180.0°
OALCBNCCACBY179.8°179.9°
HOALOALCBNCBP180.0°90.0°
HOALOALCBNCCA2.2°90.0°
OAMSCBCBUCAV110.7°30.0°
OAMSCBCBUCBI68.5°149.4°
HOAMOAMSCBCBU110.3°179.9°
OANSCCCBWCBB120.3°30.0°
OANSCCCBWCBY60.2°150.0°
HOANOANSCCCBW118.1°180.0°
OAOSCDCBVCBB107.9°30.0°
OAOSCDCBVCBJ70.2°150.0°
HOAOOAOSCDCBV119.6°180.0°
CARCAPCBKHAP180.0°179.7°
CAPCAROBGCBQ179.8°180.0°
CARCAPCBKCAZ3.1°0.2°
CAPCARCBQNBE178.1°180.0°
CARCAPCBKCBL174.9°179.7°
CAPCARCBQCBS6.0°0.0°
CAPCBKCBLCAQ49.5°0.0°
CBKCAPCAROBG178.2°180.0°
CBKCAPCARCBQ2.0°0.0°
CAPCBKCAZCBS4.4°0.5°
CAPCBKCAZCBL171.0°180.0°
CAPCBKCAZHAZ175.6°180.0°
CAPCBKCBLCBA124.9°180.0°
HAPCAPCAROBG1.8°0.3°
HAPCAPCARCBQ178.0°179.7°
HAPCAPCBKCAZ176.8°179.9°
HAPCAPCBKCBL5.1°0.0°
CBLCAQCASHAQ180.0°179.7°
CBLCAQCASCBR6.0°0.3°
CBLCAQCASHAS173.9°179.8°
CAQCBLCBKCAZ138.9°180.0°
CAQCBLCBACBK174.6°180.0°
CAQCBLCBACBT1.3°0.6°
CAQCBLCBAHBA178.7°179.4°
CAQCASCBRHAS180.0°179.9°
CASCAQCBLCBA4.9°0.0°
CAQCASCBRNBF175.3°180.0°
CASCAQCBLCBK178.8°180.0°
CAQCASCBRCBT3.7°0.0°
HAQCAQCASCBR174.0°180.0°
HAQCAQCASHAS6.1°0.0°
HAQCAQCBLCBA175.1°179.7°
HAQCAQCBLCBK1.2°0.2°
OBGCARCBQNBE2.1°0.0°
OBGCARCBQCBS174.2°180.0°
CARCBQCBSCAZ4.7°0.2°
CARCBQNBENBC170.5°180.0°
CARCBQNBECBS172.3°180.0°
CARCBQCBSHBS175.3°180.0°
CASCBRCBTCBA0.0°0.6°
CASCBRNBFNBD6.9°0.0°
CASCBRNBFCBT179.1°180.0°
CASCBRCBTOBH179.8°179.7°
HASCASCBRNBF4.8°0.1°
HASCASCBRCBT176.2°179.9°
CAWCATCBOHAT180.0°179.6°
CATCAWCBXHAW180.0°179.9°
CATCAWCBXCAX178.3°180.0°
CAWCATCBONBC179.2°179.7°
CAWCATCBOCBM2.9°0.3°
CATCAWCBXCBZ0.6°0.1°
CBOCATCAWCBX2.4°0.4°
CBOCATCAWHAW177.6°179.7°
CATCBONBCCBM176.2°180.0°
CATCBONBCNBE177.2°0.0°
CATCBOCBMCBZ1.6°0.0°
HATCATCAWCBX177.6°180.0°
HATCATCAWHAW2.5°0.1°
HATCATCBONBC0.8°0.0°
HATCATCBOCBM177.1°180.0°
CBPCAUCAYHAU180.0°179.8°
CBPCAUCAYCBY1.4°0.0°
CBPCAUCAYHAY178.7°179.9°
CAUCBPNBDNBF172.8°0.1°
CAUCBPNBDCBN178.2°180.0°
CAUCBPCBNCCA1.5°0.0°
CAUCAYCBYHAY180.0°180.0°
CAYCAUCBPNBD178.1°180.0°
CAYCAUCBPCBN0.2°0.0°
CAUCAYCBYCBW178.2°180.0°
CAUCAYCBYCCA0.9°0.0°
HAUCAUCAYCBY178.6°179.8°
HAUCAUCAYHAY1.3°0.3°
HAUCAUCBPNBD1.9°0.2°
HAUCAUCBPCBN179.8°179.7°
CBUCAVCAXHAV180.0°179.7°
CBUCAVCAXCBX0.3°0.2°
CAVCBUCBISCB179.1°179.4°
CAVCBUCBICBZ1.9°0.5°
CAVCAXCBXCAW179.0°180.0°
CAXCAVCBUCBI1.2°0.5°
CAXCAVCBUSCB179.6°180.0°
CAVCAXCBXCBZ0.1°0.1°
HAVCAVCAXCBX179.7°179.9°
HAVCAVCBUCBI178.8°179.8°
HAVCAVCBUSCB0.3°0.3°
CAWCBXCAXCBZ178.9°179.9°
CAWCBXCBZCBI179.8°180.0°
CAWCBXCBZCBM0.8°0.2°
HAWCAWCBXCAX1.7°0.1°
HAWCAWCBXCBZ179.4°180.0°
CAXCBXCBZCBI0.9°0.1°
CAXCBXCBZCBM179.7°179.7°
CAYCBYCBWCBB178.8°180.0°
CAYCBYCCACBJ178.6°180.0°
CAYCBYCCACBN0.8°0.0°
CAYCBYCBWCCA179.0°180.0°
CAYCBYCBWSCC1.8°0.1°
HAYCAYCBYCBW1.8°0.0°
HAYCAYCBYCCA179.2°179.9°
CBSCAZCBKHAZ180.0°179.5°
CAZCBSCBQNBE176.9°179.8°
CBSCAZCBKCBL175.4°179.5°
CAZCBSCBQHBS180.0°179.7°
CAZCBKCBLCBA46.7°0.0°
CBKCAZCBSCBQ0.5°0.5°
CBKCAZCBSHBS179.5°179.8°
HAZCAZCBKCBL4.6°0.0°
HAZCAZCBSCBQ179.5°180.0°
HAZCAZCBSHBS0.5°0.3°
CBLCBACBTHBA180.0°179.9°
CBLCBACBTOBH178.6°180.0°
CBLCBACBTCBR1.2°0.9°
CBACBTCBRNBF179.1°179.4°
CBACBTOBHCBR179.8°179.1°
CBTCBACBLCBK175.9°179.5°
HBACBACBTOBH1.4°0.0°
HBACBACBLCBK4.1°0.6°
HBACBACBTCBR178.8°179.1°
CBWCBBCBVHBB180.0°180.0°
CBWCBBCBVCBJ2.8°0.0°
CBWCBBCBVSCD179.1°180.0°
CBBCBWCBYSCC179.4°179.9°
CBBCBWCBYCCA2.1°0.1°
CBBCBVCBJCCA3.1°0.1°
CBBCBVCBJSCD178.1°179.9°
CBVCBBCBWCBY2.3°0.0°
CBVCBBCBWSCC177.1°179.9°
HBBCBBCBVCBJ177.2°179.9°
HBBCBBCBVSCD0.9°0.0°
HBBCBBCBWCBY177.7°180.0°
HBBCBBCBWSCC2.9°0.1°
CBONBCNBECBQ175.2°180.0°
NBCCBOCBMCBZ177.8°180.0°
NBENBCCBOCBM0.9°180.0°
NBCNBECBQCBS17.2°0.0°
NBFNBDCBPCBN9.1°180.0°
NBDNBFCBRCBT172.2°180.0°
CBPNBDNBFCBR174.0°180.0°
NBDCBPCBNCCA179.7°180.0°
NBECBQCBSHBS3.1°0.0°
NBFCBRCBTOBH0.7°0.3°
CBUCBICBZCBM178.8°180.0°
CBUCBICBZCBX1.8°0.2°
CBICBZCBMCBX179.5°179.8°
CBICBZCBMCBO179.7°180.0°
CBZCBICBUSCB179.0°180.0°
CBJCCACBNCBP179.6°180.0°
CBJCCACBNCBY177.6°180.0°
CCACBJCBVSCD178.8°180.0°
CBJCCACBYCBW2.4°0.0°
CBVCBJCCACBN179.5°179.9°
CBVCBJCCACBY2.9°0.0°
CBOCBMCBZCBX0.3°0.2°
CBPCBNCCACBY1.9°0.0°
CBNCCACBYCBW179.9°180.0°
SCCCBWCBYCCA177.3°180.0°

224931

PDB entries from 2024-09-11

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