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8SW

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAECBKdoub1.22Å1.22Å
CAWCAQdoub1.38Å1.39ÅAromatic
CAWCBVsing1.40Å1.40ÅAromatic
CAQCATsing1.39Å1.40ÅAromatic
CBKCBVsing1.48Å1.38Å
CBKNBGsing1.35Å1.35Å
CBVCBSdoub1.40Å1.39ÅAromatic
CBXNBGsing1.47Å1.49Å
CBXCBAsing1.53Å1.55Å
CBXCBLsing1.51Å1.55Å
CBANBEsing1.47Å1.48Å
CATCBPdoub1.38Å1.40ÅAromatic
CBLNBBsing1.35Å1.34Å
CBLOAFdoub1.21Å1.23Å
CBSCBPsing1.39Å1.38ÅAromatic
CBSOAMsing1.36Å1.36Å
NBBCAXsing1.47Å1.47Å
CBPOAJsing1.36Å1.37Å
NBECsing1.35Å1.36Å
CANCAAtrip1.17Å1.22Å
CANCAXsing1.47Å1.49Å
OCdoub1.21Å1.23Å
CCAsing1.51Å1.55Å
OADCBJdoub1.22Å1.23Å
CAPCASdoub1.38Å1.39ÅAromatic
CAPCAVsing1.38Å1.40ÅAromatic
CASCBOsing1.38Å1.39ÅAromatic
OAICBOsing1.36Å1.36Å
CAVCBUdoub1.40Å1.40ÅAromatic
CBOCBRdoub1.39Å1.38ÅAromatic
CBRCBUsing1.40Å1.40ÅAromatic
CBROALsing1.36Å1.36Å
CBUCBJsing1.48Å1.41Å
CBJNsing1.35Å1.34Å
CANsing1.46Å1.48Å
CACBsing1.53Å1.54Å
NBDCBsing1.46Å1.48Å
NBDCBHsing1.35Å1.34Å
OAKCBQsing1.36Å1.36Å
OAHCBNsing1.36Å1.37Å
CAYCBHsing1.51Å1.54Å
CAYNBCsing1.46Å1.49Å
CBHOABdoub1.21Å1.23Å
NBCCBIsing1.35Å1.36Å
CBQCBNdoub1.39Å1.39ÅAromatic
CBQCBTsing1.40Å1.41ÅAromatic
CBNCARsing1.38Å1.40ÅAromatic
CBICBTsing1.48Å1.42Å
CBIOACdoub1.22Å1.23Å
CBTCAUdoub1.40Å1.40ÅAromatic
CARCAOdoub1.39Å1.39ÅAromatic
CAUCAOsing1.38Å1.40ÅAromatic
OAMH1sing0.97Å0.95Å
OAJH2sing0.97Å0.95Å
CATH3sing1.08Å1.08Å
CAQH4sing1.08Å1.08Å
CAWH5sing1.08Å1.08Å
NBGH6sing0.97Å1.00Å
CBXH7sing1.09Å1.10Å
NBBH8sing0.97Å1.00Å
CAXH9sing1.09Å1.10Å
CAXH10sing1.09Å1.10Å
CAAH11sing1.05Å1.06Å
CBAH12sing1.09Å1.10Å
CBAH13sing1.09Å1.10Å
NBEH14sing0.97Å1.00Å
CAH15sing1.09Å1.10Å
NH16sing0.97Å1.00Å
CAVH17sing1.08Å1.08Å
CAPH18sing1.08Å1.08Å
CASH19sing1.08Å1.08Å
OAIH20sing0.97Å0.95Å
OALH21sing0.97Å0.95Å
CBH22sing1.09Å1.10Å
CBH23sing1.09Å1.10Å
NBDH24sing0.97Å1.00Å
CAYH25sing1.09Å1.10Å
CAYH26sing1.09Å1.10Å
NBCH27sing0.97Å1.00Å
CAUH28sing1.08Å1.08Å
CAOH29sing1.08Å1.08Å
CARH30sing1.08Å1.08Å
OAHH31sing0.97Å0.95Å
OAKH32sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAECBKCBV117.1°120.0°
OAECBKNBG122.5°120.0°
CAQCAWCBV119.9°120.0°
CAWCAQCAT120.2°120.3°
CAWCAQH4119.9°119.8°
CAQCAWH5120.0°120.0°
CAWCBVCBK119.8°120.2°
CAWCBVCBS119.1°119.7°
CBVCAWH5120.0°120.0°
CAQCATCBP120.1°120.3°
CAQCATH3120.0°119.8°
CATCAQH4119.9°119.8°
CBVCBKNBG119.4°120.0°
CBKCBVCBS120.7°120.2°
CBKNBGCBX118.5°120.0°
CBKNBGH6120.8°120.0°
CBVCBSCBP121.5°119.6°
CBVCBSOAM120.0°120.1°
NBGCBXCBA113.8°109.5°
NBGCBXCBL108.4°109.5°
CBXNBGH6120.8°120.0°
NBGCBXH7108.4°109.5°
CBACBXCBL111.0°109.5°
CBXCBANBE113.0°109.4°
CBACBXH7107.6°109.5°
CBXCBAH12108.6°109.5°
CBXCBAH13108.6°109.5°
CBXCBLNBB114.8°120.0°
CBXCBLOAF122.1°120.0°
CBLCBXH7107.5°109.4°
CBANBEC125.3°120.0°
NBECBAH12108.6°109.4°
NBECBAH13108.6°109.5°
CBANBEH14117.3°120.0°
CATCBPCBS119.1°120.0°
CATCBPOAJ124.6°120.0°
CBPCATH3120.0°119.9°
NBBCBLOAF123.0°120.0°
CBLNBBCAX124.5°120.0°
CBLNBBH8117.7°120.0°
CBPCBSOAM118.4°120.2°
CBSCBPOAJ116.2°120.0°
CBSOAMH1109.5°114.0°
NBBCAXCAN103.9°109.5°
CAXNBBH8117.8°120.0°
NBBCAXH9110.9°109.5°
NBBCAXH10110.8°109.5°
CBPOAJH2109.5°114.0°
NBECO124.0°120.0°
NBECCA115.3°120.0°
CNBEH14117.3°120.0°
CAACANCAX172.8°179.9°
CANCAAH11180.0°180.0°
CANCAXH9110.9°109.5°
CANCAXH10110.9°109.5°
OCCA120.6°120.0°
CCAN109.2°109.5°
CCACB110.3°109.5°
CCAH15108.2°109.4°
OADCBJCBU120.1°120.0°
OADCBJN121.6°120.0°
CASCAPCAV120.5°120.3°
CAPCASCBO119.1°120.4°
CASCAPH18119.8°119.8°
CAPCASH19120.5°119.9°
CAPCAVCBU121.0°120.0°
CAPCAVH17119.5°120.0°
CAVCAPH18119.7°119.9°
CASCBOOAI123.5°120.0°
CASCBOCBR120.1°120.0°
CBOCASH19120.4°119.8°
OAICBOCBR116.4°120.0°
CBOOAIH20109.5°114.0°
CAVCBUCBR117.2°119.7°
CAVCBUCBJ118.4°120.1°
CBUCAVH17119.5°120.0°
CBOCBRCBU122.0°119.6°
CBOCBROAL116.6°120.2°
CBUCBROAL121.4°120.2°
CBRCBUCBJ124.3°120.2°
CBROALH21109.5°114.0°
CBUCBJN118.1°120.0°
CBJNCA120.1°120.0°
CBJNH16120.0°120.0°
NCACB111.5°109.5°
NCAH15109.1°109.5°
CANH16119.9°120.0°
CACBNBD112.5°109.5°
CBCAH15108.3°109.5°
CACBH22108.7°109.5°
CACBH23108.7°109.5°
CBNBDCBH119.3°120.1°
NBDCBH22108.7°109.5°
NBDCBH23108.7°109.4°
CBNBDH24120.3°120.0°
NBDCBHCAY117.6°120.0°
NBDCBHOAB121.5°120.0°
CBHNBDH24120.3°120.0°
OAKCBQCBN116.4°120.1°
OAKCBQCBT120.9°120.2°
CBQOAKH32109.5°114.0°
OAHCBNCBQ116.0°120.0°
OAHCBNCAR123.6°120.0°
CBNOAHH31109.5°114.0°
CBHCAYNBC110.3°109.5°
CAYCBHOAB120.9°120.0°
CBHCAYH25109.2°109.5°
CBHCAYH26109.2°109.5°
CAYNBCCBI123.9°120.1°
NBCCAYH25109.3°109.4°
NBCCAYH26109.3°109.4°
CAYNBCH27118.0°120.0°
NBCCBICBT118.6°120.0°
NBCCBIOAC121.9°120.0°
CBINBCH27118.0°120.0°
CBNCBQCBT122.7°119.7°
CBQCBNCAR120.4°120.0°
CBQCBTCBI125.7°120.1°
CBQCBTCAU115.7°119.7°
CBNCARCAO118.3°120.3°
CBNCARH30120.9°119.9°
CBTCBIOAC119.5°120.0°
CBICBTCAU118.6°120.2°
CBTCAUCAO122.2°120.0°
CBTCAUH28118.9°120.0°
CARCAOCAU120.7°120.3°
CARCAOH29119.6°119.9°
CAOCARH30120.8°119.8°
CAOCAUH28118.9°119.9°
CAUCAOH29119.6°119.8°
H9CAXH10109.5°109.4°
H12CBAH13109.4°109.5°
H22CBH23109.5°109.4°
H25CAYH26109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAECBKCBVCAW36.6°180.0°
OAECBKCBVNBG169.0°180.0°
OAECBKCBVCBS136.5°0.5°
OAECBKNBGCBX2.1°0.0°
OAECBKNBGH6177.9°180.0°
CAQCAWCBVH5180.0°179.8°
CAWCAQCATH4180.0°180.0°
CAQCAWCBVCBK176.7°180.0°
CAQCAWCBVCBS3.5°0.5°
CAWCAQCATCBP0.0°0.0°
CAWCAQCATH3179.9°180.0°
CBVCAWCAQCAT1.6°0.2°
CAWCBVCBKCBS173.1°179.5°
CAWCBVCBKNBG154.4°0.0°
CAWCBVCBSCBP3.7°0.5°
CAWCBVCBSOAM179.0°179.7°
CBVCAWCAQH4178.4°179.7°
CAQCATCBPH3180.0°180.0°
CAQCATCBPCBS0.2°0.0°
CAQCATCBPOAJ179.2°180.0°
CATCAQCAWH5178.4°180.0°
CBVCBKNBGCBX170.4°180.0°
CBKCBVCBSCBP176.9°180.0°
CBKCBVCBSOAM5.8°0.2°
CBKCBVCAWH53.3°0.2°
CBVCBKNBGH69.5°0.1°
NBGCBKCBVCBS32.5°179.4°
CBKNBGCBXH6180.0°179.9°
CBKNBGCBXCBA159.7°155.1°
CBKNBGCBXCBL76.3°85.0°
CBKNBGCBXH740.1°35.0°
CBVCBSCBPCAT2.1°0.2°
CBVCBSCBPOAM177.3°179.8°
CBVCBSCBPOAJ178.8°179.7°
CBVCBSOAMH1180.0°90.3°
CBSCBVCAWH5176.5°179.7°
NBGCBXCBACBL122.6°120.0°
NBGCBXCBAH7120.0°120.1°
NBGCBXCBLH7116.9°120.0°
NBGCBXCBANBE68.5°55.0°
NBGCBXCBLNBB159.6°180.0°
NBGCBXCBLOAF24.0°0.0°
NBGCBXCBAH12171.0°65.0°
NBGCBXCBAH1352.1°175.0°
CBACBXCBLH7117.4°120.0°
CBXCBANBEH12120.5°120.0°
CBXCBANBEH13120.6°120.0°
CBACBXCBLNBB33.9°60.0°
CBACBXCBLOAF149.7°119.9°
CBXCBANBEC101.3°180.0°
CBACBXNBGH620.3°25.0°
CBXCBAH12H13118.4°120.0°
CBXCBANBEH1478.7°0.0°
CBLCBXCBANBE54.2°175.0°
CBXCBLNBBOAF176.4°179.9°
CBXCBLNBBCAX176.9°180.0°
CBLCBXNBGH6103.7°95.0°
CBXCBLNBBH83.1°0.1°
CBLCBXCBAH1266.4°55.0°
CBLCBXCBAH13174.7°65.0°
CBANBECH14180.0°179.9°
CBANBECO4.1°0.0°
CBANBECCA178.0°180.0°
NBECBACBXH7171.5°65.0°
NBECBAH12H13118.4°120.0°
CATCBPCBSOAJ179.1°180.0°
CATCBPCBSOAM179.4°180.0°
CATCBPOAJH2180.0°90.0°
CBPCATCAQH4180.0°180.0°
CBLNBBCAXH8180.0°179.9°
CBLNBBCAXCAN172.4°180.0°
NBBCBLCBXH783.5°60.0°
CBLNBBCAXH968.5°60.0°
CBLNBBCAXH1053.3°60.0°
OAFCBLNBBCAX0.5°0.1°
OAFCBLCBXH792.9°120.0°
OAFCBLNBBH8179.5°180.0°
CBPCBSOAMH12.6°89.9°
CBSCBPOAJH20.9°89.9°
CBSCBPCATH3179.9°180.0°
OAMCBSCBPOAJ1.5°0.1°
NBBCAXCANCAA118.2°35.1°
NBBCAXCANH9119.1°120.0°
NBBCAXCANH10119.1°120.1°
NBBCAXH9H10122.6°120.0°
OAJCBPCATH30.8°0.0°
NBECOCA177.9°180.0°
NBECCAN6.0°160.0°
NBECCACB128.9°80.0°
CNBECBAH1219.2°60.0°
CNBECBAH13138.1°60.0°
NBECCAH15112.8°40.0°
CAACANCAXH90.9°155.1°
CAACANCAXH10122.7°84.9°
CANCAXNBBH87.6°0.1°
CANCAXH9H10122.6°120.0°
CAXCANCAAH1146.0°119.3°
OCCAN172.1°20.0°
OCCACB49.2°100.0°
OCNBEH14175.9°180.0°
OCCAH1569.2°140.0°
CCANCBJ87.6°60.0°
CCANCB122.2°120.0°
CCANH15118.2°120.0°
CCACBH15118.3°120.0°
CCACBNBD58.5°175.0°
CACNBEH142.1°0.1°
CCANH1692.4°120.0°
CCACBH2262.0°55.0°
CCACBH23178.9°65.0°
OADCBJCBUCAV20.5°180.0°
OADCBJCBUCBR156.1°0.2°
OADCBJCBUN175.2°180.0°
OADCBJNCA0.4°0.0°
OADCBJNH16179.6°180.0°
CASCAPCAVH18180.0°179.9°
CAPCASCBOH19180.0°179.9°
CAPCASCBOOAI179.4°180.0°
CASCAPCAVCBU0.7°0.0°
CAPCASCBOCBR0.1°0.3°
CASCAPCAVH17179.4°180.0°
CAVCAPCASCBO0.1°0.0°
CAPCAVCBUH17180.0°179.9°
CAPCAVCBUCBR1.5°0.3°
CAPCAVCBUCBJ178.4°180.0°
CAVCAPCASH19179.9°180.0°
CASCBOOAICBR179.3°179.7°
CASCBOCBRCBU1.0°0.5°
CASCBOCBROAL180.0°180.0°
CBOCASCAPH18179.9°180.0°
CASCBOOAIH20180.0°90.0°
OAICBOCBRCBU179.7°179.8°
OAICBOCBROAL0.7°0.3°
OAICBOCASH190.6°0.1°
CAVCBUCBRCBO1.7°0.5°
CAVCBUCBRCBJ176.7°179.7°
CAVCBUCBROAL179.4°180.0°
CAVCBUCBJN164.3°0.0°
CBUCAVCAPH18179.3°180.0°
CBOCBRCBUOAL178.9°179.5°
CBOCBRCBUCBJ178.3°179.8°
CBRCBOCASH19179.9°179.8°
CBRCBOOAIH200.7°89.7°
CBOCBROALH21180.0°90.0°
CBRCBUCBJN19.0°179.7°
CBRCBUCAVH17178.5°179.8°
CBUCBROALH211.0°90.5°
OALCBRCBUCBJ2.7°0.2°
CBUCBJNCA174.7°180.0°
CBUCBJNH165.3°0.0°
CBJCBUCAVH171.6°0.1°
CBJNCAH16180.0°180.0°
CBJNCACB150.3°60.0°
CBJNCAH1530.6°180.0°
NCACBH15120.1°120.1°
NCACBNBD63.1°55.0°
NCACBH22176.4°65.0°
NCACBH2357.3°175.0°
CACBNBDH22120.5°120.0°
CACBNBDH23120.4°120.1°
CACBNBDCBH171.4°180.0°
CBCANH1629.7°120.0°
CACBH22H23118.6°120.0°
CACBNBDH248.6°0.0°
CBNBDCBHH24180.0°180.0°
CBNBDCBHCAY178.7°180.0°
CBNBDCBHOAB1.6°0.0°
NBDCBCAH15176.8°65.0°
NBDCBH22H23118.6°119.9°
NBDCBHCAYOAB179.7°180.0°
NBDCBHCAYNBC57.5°180.0°
CBHNBDCBH2251.0°60.0°
CBHNBDCBH2368.1°59.9°
NBDCBHCAYH2562.7°60.0°
NBDCBHCAYH26177.6°60.0°
OAKCBQCBNOAH0.2°0.2°
OAKCBQCBNCBT179.9°179.6°
OAKCBQCBNCAR179.9°180.0°
OAKCBQCBTCBI0.4°0.2°
OAKCBQCBTCAU180.0°180.0°
OAHCBNCBQCAR179.7°179.8°
OAHCBNCBQCBT179.7°179.8°
OAHCBNCARCAO179.8°180.0°
OAHCBNCARH300.2°0.0°
CBHCAYNBCH25120.1°120.0°
CBHCAYNBCH26120.1°120.0°
CBHCAYNBCCBI93.2°180.0°
CAYCBHNBDH241.3°0.0°
CBHCAYH25H26119.6°120.0°
CBHCAYNBCH2786.8°0.0°
NBCCAYCBHOAB122.8°0.0°
CAYNBCCBIH27180.0°180.0°
CAYNBCCBICBT179.6°180.0°
CAYNBCCBIOAC1.0°0.0°
NBCCAYH25H26119.6°120.0°
OABCBHNBDH24178.4°180.0°
OABCBHCAYH25117.0°120.0°
OABCBHCAYH262.7°120.0°
NBCCBICBTCBQ13.0°179.7°
NBCCBICBTOAC179.4°180.0°
NBCCBICBTCAU167.4°0.0°
CBINBCCAYH25146.7°60.0°
CBINBCCAYH2626.9°60.0°
CBNCBQCBTCBI179.7°179.8°
CBNCBQCBTCAU0.2°0.4°
CBQCBNCARCAO0.1°0.2°
CBQCBNCARH30179.9°179.8°
CBQCBNOAHH31180.0°89.7°
CBNCBQOAKH32180.0°90.0°
CBTCBQCBNCAR0.0°0.5°
CBQCBTCBICAU179.5°179.8°
CBQCBTCBIOAC167.6°0.3°
CBQCBTCAUCAO0.2°0.2°
CBQCBTCAUH28179.8°179.8°
CBTCBQOAKH320.1°90.5°
CBNCARCAOH30180.0°180.0°
CBNCARCAOCAU0.0°0.0°
CBNCARCAOH29180.0°180.0°
CARCBNOAHH310.3°90.0°
CBICBTCAUCAO179.8°180.0°
CBTCBINBCH270.4°0.0°
CBICBTCAUH280.2°0.0°
OACCBICBTCAU12.0°180.0°
OACCBINBCH27179.0°180.0°
CBTCAUCAOCAR0.2°0.0°
CBTCAUCAOH28180.0°180.0°
CBTCAUCAOH29179.8°180.0°
CARCAOCAUH29180.0°179.9°
CARCAOCAUH28179.9°180.0°
CAUCAOCARH30180.0°179.9°
H3CATCAQH40.0°0.0°
H4CAQCAWH51.7°0.1°
H6NBGCBXH7139.9°145.1°
H7CBXCBAH1251.0°175.0°
H7CBXCBAH1368.0°54.9°
H8NBBCAXH9111.6°120.1°
H8NBBCAXH10126.7°120.0°
H12CBANBEH14160.8°120.0°
H13CBANBEH1441.9°120.0°
H15CANH16149.4°0.0°
H15CACBH2256.3°175.0°
H15CACBH2362.8°55.0°
H17CAVCAPH180.7°0.1°
H18CAPCASH190.1°0.1°
H22CBNBDH24129.0°120.0°
H23CBNBDH24111.9°120.0°
H25CAYNBCH2733.3°120.0°
H26CAYNBCH27153.1°120.0°
H28CAUCAOH290.1°0.1°
H29CAOCARH300.0°0.0°

225399

PDB entries from 2024-09-25

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