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JGU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBICBHsing1.43Å1.43Å
CBHCBGsing1.53Å1.52Å
CBGOBEsing1.43Å1.43Å
OBECAUsing1.36Å1.37Å
CBFCAVsing1.51Å1.41Å
CAUCAVdoub1.39Å1.38ÅAromatic
CAUCATsing1.39Å1.39ÅAromatic
CAVCAWsing1.38Å1.41ÅAromatic
CBDCATsing1.51Å1.39Å
CATCASdoub1.38Å1.40ÅAromatic
CAWCAMdoub1.40Å1.40ÅAromatic
CASCAMsing1.40Å1.40ÅAromatic
CAMCAHsing1.48Å1.34Å
CAHOAGsing1.35Å1.17ÅAromatic
CAHCAIdoub1.36Å1.34ÅAromatic
OAGCAAsing1.34Å1.33ÅAromatic
CAICABsing1.46Å1.34ÅAromatic
CAYCAXsing1.53Å1.53Å
CAACABdoub1.40Å1.33ÅAromatic
CAACAFsing1.42Å1.35Å
CABCACsing1.46Å1.36Å
CBNCBMdoub1.38Å1.40ÅAromatic
CBNCBCsing1.39Å1.39ÅAromatic
OBBCARsing1.36Å1.38Å
OBBCBCsing1.36Å1.35Å
CAQCARdoub1.39Å1.39ÅAromatic
CAQCAPsing1.38Å1.40ÅAromatic
CBMCBLsing1.38Å1.41ÅAromatic
CARCAJsing1.40Å1.41ÅAromatic
CAPCAOdoub1.38Å1.40ÅAromatic
CAJCAFsing1.48Å1.42Å
CAJCANdoub1.39Å1.41ÅAromatic
CBCCBJdoub1.39Å1.41ÅAromatic
CAFCAEdoub1.36Å1.40Å
CAOCANsing1.38Å1.41ÅAromatic
CAOCAXsing1.51Å1.44Å
CACOALdoub1.22Å1.24Å
CACNADsing1.35Å1.38Å
CAXOBAsing1.43Å1.44Å
CAXCAZsing1.53Å1.55Å
CBLFBOsing1.35Å1.53Å
CBLCBKdoub1.38Å1.40ÅAromatic
CAENADsing1.36Å1.40Å
NADCAKsing1.46Å1.48Å
CBJCBKsing1.38Å1.39ÅAromatic
CBJFBPsing1.35Å1.45Å
CBKH1sing1.08Å1.08Å
CBMH2sing1.08Å1.08Å
CBNH3sing1.08Å1.08Å
CAQH4sing1.08Å1.08Å
CAPH5sing1.08Å1.08Å
CAYH6sing1.09Å1.10Å
CAYH7sing1.09Å1.10Å
CAYH8sing1.09Å1.10Å
CAZH9sing1.09Å1.10Å
CAZH10sing1.09Å1.10Å
CAZH11sing1.09Å1.10Å
OBAH12sing0.97Å0.95Å
CANH13sing1.08Å1.08Å
CAEH14sing1.08Å1.08Å
CAKH15sing1.09Å1.10Å
CAKH16sing1.09Å1.10Å
CAKH17sing1.09Å1.10Å
CAIH18sing1.08Å1.08Å
CAWH19sing1.08Å1.08Å
CBFH20sing1.09Å1.10Å
CBFH21sing1.09Å1.10Å
CBFH22sing1.09Å1.10Å
CASH23sing1.08Å1.08Å
CBDH24sing1.09Å1.10Å
CBDH25sing1.09Å1.10Å
CBDH26sing1.09Å1.10Å
CBGH27sing1.09Å1.10Å
CBGH28sing1.09Å1.10Å
CBHH29sing1.09Å1.10Å
CBHH30sing1.09Å1.10Å
OBIH31sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBICBHCBG107.2°109.5°
OBICBHH29110.0°109.6°
OBICBHH30110.1°109.5°
CBHOBIH31109.5°114.0°
CBHCBGOBE106.3°109.5°
CBHCBGH27110.3°109.4°
CBHCBGH28110.3°109.5°
CBGCBHH29110.0°109.5°
CBGCBHH30110.0°109.4°
CBGOBECAU117.1°117.0°
OBECBGH27110.2°109.5°
OBECBGH28110.3°109.5°
OBECAUCAV119.1°119.9°
OBECAUCAT120.0°119.9°
CBFCAVCAU118.7°120.0°
CBFCAVCAW123.0°119.9°
CAVCBFH20109.5°109.5°
CAVCBFH21109.5°109.5°
CAVCBFH22109.5°109.5°
CAVCAUCAT120.9°120.2°
CAUCAVCAW118.3°120.1°
CAUCATCBD118.5°119.9°
CAUCATCAS120.2°120.1°
CAVCAWCAM122.1°119.9°
CAVCAWH19119.0°120.0°
CBDCATCAS121.3°119.9°
CATCBDH24109.5°109.4°
CATCBDH25109.5°109.4°
CATCBDH26109.4°109.4°
CATCASCAM120.9°119.9°
CATCASH23119.6°120.1°
CAWCAMCAS117.5°119.8°
CAWCAMCAH123.7°120.1°
CAMCAWH19119.0°120.0°
CASCAMCAH118.2°120.1°
CAMCASH23119.6°120.1°
CAMCAHOAG120.4°125.2°
CAMCAHCAI130.8°125.2°
OAGCAHCAI108.5°109.6°
CAHOAGCAA112.3°110.9°
CAHCAICAB108.2°106.0°
CAHCAIH18125.9°127.1°
OAGCAACAB107.1°107.7°
OAGCAACAF129.9°133.9°
CAICABCAA103.9°105.9°
CAICABCAC134.9°135.0°
CABCAIH18125.9°127.0°
CAYCAXCAO104.2°109.5°
CAYCAXOBA106.2°109.5°
CAYCAXCAZ111.7°109.4°
CAXCAYH6109.5°109.5°
CAXCAYH7109.5°109.5°
CAXCAYH8109.5°109.5°
CABCAACAF123.0°118.4°
CAACABCAC121.1°119.1°
CAACAFCAJ120.5°119.9°
CAACAFCAE118.2°120.1°
CABCACOAL120.2°120.5°
CABCACNAD118.8°119.1°
CBMCBNCBC117.7°119.9°
CBNCBMCBL120.5°120.1°
CBNCBMH2119.7°119.9°
CBMCBNH3121.2°120.0°
CBNCBCOBB119.2°120.0°
CBNCBCCBJ122.7°120.0°
CBCCBNH3121.2°120.0°
CAROBBCBC127.1°118.0°
OBBCARCAQ124.0°120.1°
OBBCARCAJ116.6°120.1°
OBBCBCCBJ118.0°120.1°
CARCAQCAP121.4°120.0°
CAQCARCAJ119.3°119.8°
CARCAQH4119.3°120.0°
CAQCAPCAO121.4°120.4°
CAPCAQH4119.3°120.0°
CAQCAPH5119.3°119.9°
CBMCBLFBO120.1°119.9°
CBMCBLCBK120.7°120.1°
CBLCBMH2119.8°120.0°
CARCAJCAF122.5°120.2°
CARCAJCAN118.1°119.7°
CAPCAOCAN116.4°120.2°
CAPCAOCAX121.4°119.9°
CAOCAPH5119.3°119.8°
CAFCAJCAN119.4°120.1°
CAJCAFCAE121.3°120.0°
CAJCANCAO123.3°119.9°
CAJCANH13118.3°120.0°
CBCCBJCBK119.0°120.0°
CBCCBJFBP122.3°120.0°
CAFCAENAD118.6°122.2°
CAFCAEH14120.7°118.9°
CANCAOCAX122.1°119.9°
CAOCANH13118.3°120.0°
CAOCAXOBA114.5°109.5°
CAOCAXCAZ114.3°109.5°
OALCACNAD121.0°120.5°
CACNADCAE120.3°121.2°
CACNADCAK124.0°119.4°
OBACAXCAZ105.8°109.5°
CAXOBAH12109.5°114.0°
CAXCAZH9109.5°109.5°
CAXCAZH10109.5°109.5°
CAXCAZH11109.5°109.5°
FBOCBLCBK119.2°120.0°
CBLCBKCBJ119.4°120.0°
CBLCBKH1120.3°119.9°
CAENADCAK115.7°119.4°
NADCAEH14120.7°118.9°
NADCAKH15109.5°109.5°
NADCAKH16109.4°109.4°
NADCAKH17109.4°109.5°
CBKCBJFBP118.7°120.0°
CBJCBKH1120.3°120.1°
H6CAYH7109.5°109.5°
H6CAYH8109.5°109.5°
H7CAYH8109.4°109.4°
H9CAZH10109.4°109.4°
H9CAZH11109.5°109.5°
H10CAZH11109.5°109.5°
H15CAKH16109.4°109.5°
H15CAKH17109.5°109.5°
H16CAKH17109.5°109.5°
H20CBFH21109.4°109.4°
H20CBFH22109.5°109.5°
H21CBFH22109.5°109.4°
H24CBDH25109.5°109.5°
H24CBDH26109.5°109.5°
H25CBDH26109.5°109.5°
H27CBGH28109.5°109.4°
H29CBHH30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBICBHCBGH29119.7°120.1°
OBICBHCBGH30119.7°120.0°
OBICBHCBGOBE71.6°64.9°
OBICBHCBGH2747.9°55.0°
OBICBHCBGH28168.9°175.0°
OBICBHH29H30121.1°120.1°
CBHCBGOBEH27119.5°120.0°
CBHCBGOBEH28119.5°120.1°
CBHCBGOBECAU139.9°180.0°
CBHCBGH27H28121.5°120.0°
CBGCBHH29H30121.0°119.9°
CBGCBHOBIH31180.0°180.0°
CBGOBECAUCAV88.1°90.0°
CBGOBECAUCAT93.3°89.7°
OBECBGH27H28121.5°120.0°
OBECBGCBHH29168.8°175.0°
OBECBGCBHH3048.1°55.0°
OBECAUCAVCBF1.5°0.0°
OBECAUCAVCAT178.6°179.7°
OBECAUCAVCAW179.4°179.9°
OBECAUCATCBD1.0°0.0°
OBECAUCATCAS179.2°180.0°
CAUOBECBGH27100.6°60.0°
CAUOBECBGH2820.4°59.9°
CBFCAVCAUCAW179.1°180.0°
CBFCAVCAUCAT180.0°179.7°
CBFCAVCAWCAM177.0°179.9°
CBFCAVCAWH193.0°0.0°
CAVCBFH20H21120.0°120.0°
CAVCBFH20H22120.0°120.1°
CAVCBFH21H22120.0°120.0°
CAVCAUCATCBD179.5°179.7°
CAVCAUCATCAS0.7°0.3°
CAUCAVCAWCAM2.1°0.1°
CAUCAVCAWH19177.9°180.0°
CAUCAVCBFH2090.4°90.0°
CAUCAVCBFH21149.6°30.0°
CAUCAVCBFH2229.6°150.0°
CATCAUCAVCAW0.9°0.3°
CAUCATCBDCAS179.8°180.0°
CAUCATCASCAM2.4°0.0°
CAUCATCASH23177.6°180.0°
CAUCATCBDH2489.9°90.0°
CAUCATCBDH25150.1°30.1°
CAUCATCBDH2630.1°150.0°
CAVCAWCAMH19180.0°179.9°
CAVCAWCAMCAS5.0°0.2°
CAVCAWCAMCAH176.5°180.0°
CAWCAVCBFH2090.5°90.1°
CAWCAVCBFH2129.5°150.0°
CAWCAVCBFH22149.5°30.0°
CBDCATCASCAM177.3°180.0°
CBDCATCASH232.7°0.0°
CATCBDH24H25120.0°120.0°
CATCBDH24H26120.0°119.9°
CATCBDH25H26120.0°119.9°
CATCASCAMCAW5.1°0.2°
CATCASCAMH23180.0°180.0°
CATCASCAMCAH177.1°180.0°
CASCATCBDH2489.9°90.0°
CASCATCBDH2530.1°150.0°
CASCATCBDH26150.1°30.0°
CAWCAMCASCAH171.9°179.8°
CAWCAMCAHOAG174.5°0.1°
CAWCAMCAHCAI2.0°179.8°
CAWCAMCASH23174.8°179.8°
CASCAMCAHOAG3.1°179.7°
CASCAMCAHCAI169.4°0.4°
CASCAMCAWH19175.0°179.7°
CAMCAHOAGCAI174.1°179.9°
CAMCAHOAGCAA175.6°180.0°
CAMCAHCAICAB174.7°179.9°
CAMCAHCAIH185.3°0.0°
CAHCAMCAWH193.5°0.1°
CAHCAMCASH232.9°0.0°
OAGCAHCAICAB1.4°0.2°
CAHOAGCAACAB1.1°0.1°
CAHOAGCAACAF179.4°179.4°
OAGCAHCAIH18178.6°179.9°
CAICAHOAGCAA1.5°0.1°
CAHCAICABH18180.0°179.9°
CAHCAICABCAA0.7°0.3°
CAHCAICABCAC179.2°180.0°
OAGCAACABCAI0.1°0.2°
OAGCAACABCAF178.5°179.4°
OAGCAACABCAC180.0°180.0°
OAGCAACAFCAJ1.4°0.5°
OAGCAACAFCAE179.8°179.8°
CAICABCAACAC179.9°179.8°
CAICABCAACAF178.6°179.6°
CAICABCACOAL0.6°0.0°
CAICABCACNAD179.8°180.0°
CAYCAXCAOCAP74.2°90.0°
CAYCAXCAOCAN102.1°90.0°
CAYCAXCAOOBA115.6°120.0°
CAYCAXCAOCAZ122.2°119.9°
CAYCAXOBACAZ118.8°120.0°
CAXCAYH6H7120.0°120.0°
CAXCAYH6H8120.0°120.0°
CAXCAYH7H8120.0°120.0°
CAYCAXCAZH9180.0°180.0°
CAYCAXCAZH1060.0°60.0°
CAYCAXCAZH1160.0°60.0°
CAYCAXOBAH12180.0°180.0°
CABCAACAFCAJ179.5°179.8°
CABCAACAFCAE1.6°0.6°
CAACABCACOAL179.3°179.7°
CAACABCACNAD0.3°0.3°
CAACABCAIH18179.3°179.8°
CAFCAACABCAC1.5°0.5°
CAACAFCAJCAR52.2°74.7°
CAACAFCAJCAE178.8°179.6°
CAACAFCAJCAN126.9°105.1°
CAACAFCAENAD0.7°0.3°
CAACAFCAEH14179.3°179.7°
CABCACOALNAD179.6°180.0°
CABCACNADCAE0.6°0.0°
CABCACNADCAK179.9°180.0°
CACCABCAIH180.8°0.1°
CBMCBNCBCH3180.0°179.8°
CBMCBNCBCOBB179.3°179.9°
CBNCBMCBLH2180.0°179.9°
CBMCBNCBCCBJ1.9°0.5°
CBNCBMCBLFBO179.7°180.0°
CBNCBMCBLCBK0.0°0.0°
CBNCBCOBBCAR125.5°99.2°
CBNCBCOBBCBJ177.6°179.6°
CBCCBNCBMCBL1.1°0.3°
CBNCBCCBJCBK1.6°0.5°
CBNCBCCBJFBP178.8°179.7°
CBCCBNCBMH2178.9°179.9°
OBBCARCAQCAJ176.7°179.7°
OBBCARCAQCAP177.9°180.0°
OBBCARCAJCAF1.5°0.0°
OBBCARCAJCAN177.7°179.8°
CAROBBCBCCBJ56.9°80.4°
OBBCARCAQH42.1°0.1°
CBCOBBCARCAQ43.0°5.7°
CBCOBBCARCAJ140.2°174.7°
OBBCBCCBJCBK179.0°179.9°
OBBCBCCBJFBP1.3°0.2°
OBBCBCCBNH30.7°0.2°
CARCAQCAPH4180.0°180.0°
CARCAQCAPCAO0.1°0.0°
CAQCARCAJCAF178.4°179.7°
CAQCARCAJCAN0.7°0.5°
CARCAQCAPH5179.9°180.0°
CAPCAQCARCAJ1.2°0.3°
CAQCAPCAOH5180.0°179.9°
CAQCAPCAOCAN1.4°0.0°
CAQCAPCAOCAX178.0°180.0°
CBMCBLFBOCBK179.7°180.0°
CBMCBLCBKCBJ0.3°0.0°
CBMCBLCBKH1179.6°180.0°
CBLCBMCBNH3178.9°180.0°
CARCAJCAFCAN179.1°179.8°
CARCAJCAFCAE129.0°104.9°
CARCAJCANCAO0.8°0.5°
CAJCARCAQH4178.8°179.7°
CARCAJCANH13179.2°179.7°
CAPCAOCANCAJ1.9°0.2°
CAPCAOCANCAX176.6°180.0°
CAPCAOCAXOBA170.2°150.0°
CAPCAOCAXCAZ48.0°30.0°
CAOCAPCAQH4179.9°180.0°
CAPCAOCANH13178.2°180.0°
CAFCAJCANCAO180.0°179.7°
CAJCAFCAENAD179.5°180.0°
CAFCAJCANH130.1°0.1°
CAJCAFCAEH140.5°0.1°
CANCAJCAFCAE51.9°75.3°
CAJCANCAOH13180.0°179.8°
CAJCANCAOCAX178.4°179.8°
CBCCBJCBKCBL0.4°0.3°
CBCCBJCBKFBP179.6°179.8°
CBCCBJCBKH1179.6°179.8°
CBJCBCCBNH3178.1°179.7°
CAFCAENADCAC0.4°0.0°
CAFCAENADH14180.0°179.9°
CAFCAENADCAK180.0°180.0°
CANCAOCAXOBA13.4°30.0°
CANCAOCAXCAZ135.6°150.0°
CANCAOCAPH5178.6°179.9°
CAOCAXOBACAZ126.8°120.0°
CAXCAOCAPH52.0°0.0°
CAOCAXCAYH6180.0°60.0°
CAOCAXCAYH760.0°180.0°
CAOCAXCAYH860.0°60.1°
CAOCAXCAZH962.0°60.1°
CAOCAXCAZH1058.0°180.0°
CAOCAXCAZH11178.0°60.0°
CAOCAXOBAH1265.6°60.0°
CAXCAOCANH131.6°0.0°
OALCACNADCAE179.8°180.0°
OALCACNADCAK0.3°0.0°
CACNADCAECAK179.6°180.0°
CACNADCAEH14179.6°180.0°
CACNADCAKH15180.0°89.9°
CACNADCAKH1660.0°30.0°
CACNADCAKH1760.0°150.0°
OBACAXCAYH658.8°180.0°
OBACAXCAYH7178.8°60.0°
OBACAXCAYH861.3°60.0°
OBACAXCAZH964.9°60.0°
OBACAXCAZH10175.1°60.0°
OBACAXCAZH1155.1°180.0°
CAZCAXCAYH656.1°60.0°
CAZCAXCAYH763.9°60.0°
CAZCAXCAYH8176.1°180.0°
CAXCAZH9H10120.0°120.0°
CAXCAZH9H11120.0°120.1°
CAXCAZH10H11120.0°120.0°
CAZCAXOBAH1261.2°60.0°
FBOCBLCBKCBJ179.4°180.0°
FBOCBLCBKH10.7°0.0°
FBOCBLCBMH20.3°0.1°
CBLCBKCBJH1180.0°179.9°
CBLCBKCBJFBP179.9°180.0°
CBKCBLCBMH2180.0°179.9°
CAENADCAKH150.5°90.0°
CAENADCAKH16120.4°150.0°
CAENADCAKH17119.5°30.0°
CAKNADCAEH140.0°0.0°
NADCAKH15H16120.0°119.9°
NADCAKH15H17120.0°120.1°
NADCAKH16H17120.0°120.0°
FBPCBJCBKH10.0°0.0°
H2CBMCBNH31.1°0.1°
H4CAQCAPH50.1°0.0°
H6CAYH7H8120.0°120.0°
H9CAZH10H11120.0°120.0°
H15CAKH16H17120.0°120.0°
H20CBFH21H22120.0°120.0°
H24CBDH25H26120.0°120.1°
H27CBGCBHH2971.8°65.0°
H27CBGCBHH30167.6°175.0°
H28CBGCBHH2949.2°54.9°
H28CBGCBHH3071.4°65.1°
H29CBHOBIH3160.4°60.0°
H30CBHOBIH3160.3°60.1°

222415

PDB entries from 2024-07-10

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