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NJB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAENAFdoub1.32Å1.39ÅAromatic
CAECADsing1.39Å1.39ÅAromatic
NAFCAGsing1.33Å1.34ÅAromatic
OACCADsing1.36Å1.37Å
OACCABsing1.43Å1.40Å
NAKNALsing1.29Å1.24ÅAromatic
NAKCAJdoub1.31Å1.33ÅAromatic
CADCAIdoub1.39Å1.40ÅAromatic
OATCASdoub1.22Å1.23Å
CAOCAPsing1.54Å1.52Å
CAOCANsing1.54Å1.52Å
CAPNARsing1.46Å1.48Å
CAPCAQsing1.54Å1.56Å
CAACABsing1.53Å1.54Å
NALCAMdoub1.31Å1.33ÅAromatic
CAGCAJsing1.48Å1.33Å
CAGCAHdoub1.39Å1.39ÅAromatic
CAJNBEsing1.37Å1.32ÅAromatic
CASNARsing1.35Å1.35Å
CASCAUsing1.48Å1.41Å
CBGCBHdoub1.38Å1.39ÅAromatic
CBGCBFsing1.39Å1.39ÅAromatic
CAMNBEsing1.36Å1.33ÅAromatic
CAMCANsing1.51Å1.53Å
CAICAHsing1.38Å1.40ÅAromatic
NBECBFsing1.40Å1.33Å
CAQCANsing1.54Å1.54Å
CBDCAUdoub1.39Å1.40ÅAromatic
CBDCBCsing1.39Å1.39ÅAromatic
CBHCBIsing1.38Å1.39ÅAromatic
CAUCAVsing1.42Å1.41ÅAromatic
CBFCBKdoub1.39Å1.39ÅAromatic
CBCNBBdoub1.31Å1.40ÅAromatic
CAVNAWdoub1.33Å1.34ÅAromatic
CAVCBAsing1.42Å1.41ÅAromatic
NAWCAXsing1.31Å1.41ÅAromatic
NBBCBAsing1.33Å1.35ÅAromatic
CBACAZdoub1.41Å1.40ÅAromatic
CBICBJdoub1.38Å1.39ÅAromatic
CAXCAYdoub1.39Å1.40ÅAromatic
CBKCBJsing1.38Å1.39ÅAromatic
CBKCL1sing1.74Å1.70Å
CAZCAYsing1.37Å1.39ÅAromatic
CBJHBJsing1.08Å1.08Å
CBIHBIsing1.08Å1.08Å
CBHHBHsing1.08Å1.08Å
CBGHBGsing1.08Å1.08Å
CAHHAHsing1.08Å1.08Å
CAIHAIsing1.08Å1.08Å
CAEHAFsing1.08Å1.08Å
CABHADsing1.09Å1.10Å
CABHAEsing1.09Å1.10Å
CAAHACsing1.09Å1.10Å
CAAHAAsing1.09Å1.10Å
CAAHABsing1.09Å1.10Å
CANHANsing1.09Å1.10Å
CAQHASsing1.09Å1.10Å
CAQHARsing1.09Å1.10Å
CAOHAPsing1.09Å1.10Å
CAOHAOsing1.09Å1.10Å
CAPHAQsing1.09Å1.10Å
NARHBKsing0.97Å1.00Å
CAXHAXsing1.08Å1.08Å
CAYHAYsing1.08Å1.08Å
CAZHAZsing1.08Å1.08Å
CBCHBCsing1.08Å1.08Å
CBDHBDsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAFCAECAD120.2°120.8°
CAENAFCAG121.5°121.7°
NAFCAEHAF119.9°119.6°
CAECADOAC116.0°120.3°
CAECADCAI118.7°119.3°
CADCAEHAF119.9°119.6°
NAFCAGCAJ117.4°119.7°
NAFCAGCAH119.9°120.6°
CADOACCAB118.3°117.0°
OACCADCAI125.2°120.4°
OACCABCAA102.9°109.4°
OACCABHAD111.1°109.4°
OACCABHAE111.1°109.5°
NALNAKCAJ108.9°109.8°
NAKNALCAM108.3°110.1°
NAKCAJCAG123.5°126.5°
NAKCAJNBE109.3°107.0°
CADCAICAH119.8°118.5°
CADCAIHAI120.1°120.8°
OATCASNAR121.7°120.0°
OATCASCAU119.7°120.0°
CAPCAOCAN88.9°87.0°
CAOCAPNAR111.9°113.6°
CAOCAPCAQ91.2°87.1°
CAPCAOHAP114.3°113.6°
CAPCAOHAO114.3°113.6°
CAOCAPHAQ112.9°113.6°
CAOCANCAM111.8°113.6°
CAOCANCAQ92.0°87.2°
CAOCANHAN112.9°113.6°
CANCAOHAP114.4°113.7°
CANCAOHAO114.3°113.6°
NARCAPCAQ113.2°113.6°
CAPNARCAS121.0°120.0°
NARCAPHAQ113.4°112.8°
CAPNARHBK119.5°120.0°
CAPCAQCAN86.9°87.1°
CAPCAQHAS114.8°113.6°
CAPCAQHAR114.8°113.7°
CAQCAPHAQ112.3°113.7°
CAACABHAD111.1°109.5°
CAACABHAE111.1°109.5°
CABCAAHAC109.5°109.5°
CABCAAHAA109.5°109.5°
CABCAAHAB109.5°109.4°
NALCAMNBE109.5°107.4°
NALCAMCAN125.7°126.3°
CAJCAGCAH122.8°119.7°
CAGCAJNBE127.1°126.5°
CAGCAHCAI119.9°119.1°
CAGCAHHAH120.1°120.5°
CAJNBECAM104.0°105.7°
CAJNBECBF128.5°127.2°
NARCASCAU118.5°120.0°
CASNARHBK119.5°120.0°
CASCAUCBD118.0°121.1°
CASCAUCAV124.5°121.1°
CBHCBGCBF120.4°119.9°
CBGCBHCBI119.4°120.1°
CBGCBHHBH120.3°120.0°
CBHCBGHBG119.8°120.0°
CBGCBFNBE117.5°120.0°
CBGCBFCBK120.1°119.9°
CBFCBGHBG119.8°120.1°
NBECAMCAN124.8°126.3°
CAMNBECBF127.4°127.1°
CAMCANCAQ113.1°113.6°
CAMCANHAN112.8°112.9°
CAICAHHAH120.1°120.4°
CAHCAIHAI120.1°120.8°
NBECBFCBK122.5°120.1°
CAQCANHAN112.7°113.6°
CANCAQHAS114.8°113.6°
CANCAQHAR114.8°113.6°
CAUCBDCBC121.4°119.7°
CBDCAUCAV117.5°117.9°
CAUCBDHBD119.3°120.2°
CBDCBCNBB119.6°121.8°
CBDCBCHBC120.2°119.1°
CBCCBDHBD119.3°120.2°
CBHCBICBJ120.3°120.2°
CBHCBIHBI119.8°119.9°
CBICBHHBH120.3°120.0°
CAUCAVNAW120.0°121.2°
CAUCAVCBA120.2°118.6°
CBFCBKCBJ119.7°119.9°
CBFCBKCL1121.2°120.0°
CBCNBBCBA120.2°121.8°
NBBCBCHBC120.2°119.1°
NAWCAVCBA119.9°120.2°
CAVNAWCAX120.2°121.4°
CAVCBANBB121.1°120.3°
CAVCBACAZ120.9°118.6°
NAWCAXCAY120.6°121.5°
NAWCAXHAX119.7°119.3°
NBBCBACAZ118.0°121.1°
CBACAZCAY119.1°118.2°
CBACAZHAZ120.5°120.9°
CBICBJCBK120.1°120.0°
CBICBJHBJ119.9°120.0°
CBJCBIHBI119.8°119.9°
CAXCAYCAZ119.4°120.0°
CAYCAXHAX119.7°119.2°
CAXCAYHAY120.3°120.0°
CBJCBKCL1119.1°120.0°
CBKCBJHBJ120.0°120.0°
CAZCAYHAY120.3°119.9°
CAYCAZHAZ120.5°120.9°
HADCABHAE109.4°109.5°
HACCAAHAA109.5°109.5°
HACCAAHAB109.5°109.5°
HAACAAHAB109.4°109.5°
HASCAQHAR109.5°112.9°
HAPCAOHAO109.5°112.9°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAFCAECADHAF180.0°180.0°
NAFCAECADOAC179.5°180.0°
NAFCAECADCAI0.2°0.3°
CAENAFCAGCAJ178.4°180.0°
CAENAFCAGCAH0.0°0.2°
CADCAENAFCAG0.0°0.0°
CAECADOACCAI179.3°179.7°
CAECADOACCAB171.5°0.1°
CAECADCAICAH0.4°0.3°
CAECADCAIHAI179.7°179.7°
NAFCAGCAJNAK110.4°179.8°
NAFCAGCAJCAH178.3°179.8°
NAFCAGCAJNBE66.1°0.2°
NAFCAGCAHCAI0.2°0.2°
NAFCAGCAHHAH179.8°179.7°
CAGNAFCAEHAF180.0°179.9°
CADOACCABCAA168.9°180.0°
OACCADCAICAH179.6°180.0°
OACCADCAIHAI0.4°0.0°
OACCADCAEHAF0.5°0.0°
CADOACCABHAD50.0°60.1°
CADOACCABHAE72.1°59.9°
CABOACCADCAI7.8°179.8°
OACCABCAAHAD119.0°119.9°
OACCABCAAHAE119.0°120.0°
OACCABHADHAE123.0°120.0°
OACCABCAAHAC180.0°60.1°
OACCABCAAHAA60.0°60.0°
OACCABCAAHAB60.0°180.0°
NALNAKCAJCAG177.9°180.0°
NALNAKCAJNBE0.8°0.0°
NAKNALCAMNBE0.1°0.4°
NAKNALCAMCAN179.9°180.0°
CAJNAKNALCAM0.6°0.3°
NAKCAJCAGNBE176.5°180.0°
NAKCAJCAGCAH67.9°0.0°
NAKCAJNBECAM0.7°0.3°
NAKCAJNBECBF177.4°180.0°
CADCAICAHCAG0.4°0.0°
CADCAICAHHAI180.0°180.0°
CADCAICAHHAH179.6°180.0°
CAICADCAEHAF179.8°179.7°
OATCASNARCAP0.8°0.0°
OATCASNARCAU177.1°179.9°
OATCASCAUCBD2.7°179.7°
OATCASCAUCAV176.2°0.0°
OATCASNARHBK179.2°180.0°
CAPCAOCANHAP116.3°114.6°
CAPCAOCANHAO116.3°114.5°
CAOCAPNARCAQ101.4°97.5°
CAOCAPNARHAQ129.1°131.2°
CAOCAPCAQHAQ115.4°114.6°
CAOCAPNARCAS167.7°155.0°
CAPCAOCANCAM123.3°139.9°
CAPCAOCANCAQ7.5°25.3°
CAPCAOCANHAN108.2°89.2°
CAOCAPCAQHAS123.2°89.1°
CAOCAPCAQHAR108.6°139.9°
CAPCAOHAPHAO129.7°131.2°
CAOCAPNARHBK12.3°25.0°
CANCAOCAPNAR108.3°89.2°
CAOCANCAMNAL91.6°39.1°
CAOCANCAMNBE88.5°140.3°
CAOCANCAMCAQ102.2°97.6°
CAOCANCAMHAN128.6°131.2°
CAOCANCAQHAN115.9°114.6°
CAOCANCAQHAS123.3°89.1°
CAOCANCAQHAR108.6°140.0°
CANCAOHAPHAO129.8°131.3°
CANCAOCAPHAQ122.3°140.0°
NARCAPCAQHAQ130.0°130.9°
CAPNARCASHBK180.0°180.0°
CAPNARCASCAU177.9°180.0°
NARCAPCAQCAN107.2°89.2°
NARCAPCAQHAS8.7°156.3°
NARCAPCAQHAR136.9°25.3°
NARCAPCAOHAP135.3°25.5°
NARCAPCAOHAO8.0°156.4°
CAQCAPNARCAS91.0°107.5°
CAPCAQCANCAM122.1°140.0°
CAPCAQCANHAS116.0°114.5°
CAPCAQCANHAR115.9°114.6°
CAPCAQCANHAN108.6°89.2°
CAPCAQHASHAR130.7°131.4°
CAQCAPCAOHAP109.0°140.0°
CAQCAPCAOHAO123.7°89.1°
CAQCAPNARHBK89.0°72.5°
CAACABHADHAE123.0°120.1°
CABCAAHACHAA120.0°120.1°
CABCAAHACHAB120.0°119.9°
CABCAAHAAHAB120.0°119.9°
NALCAMNBECAJ0.4°0.4°
NALCAMNBECAN180.0°179.5°
NALCAMNBECBF177.7°179.8°
NALCAMCANCAQ10.6°58.5°
NALCAMCANHAN139.9°170.4°
CAGCAJNBECAM177.6°179.7°
CAJCAGCAHCAI178.5°180.0°
CAGCAJNBECBF0.5°0.0°
CAJCAGCAHHAH1.5°0.1°
CAHCAGCAJNBE115.6°179.9°
CAGCAHCAIHAH180.0°179.9°
CAGCAHCAIHAI179.7°180.0°
CAJNBECBFCBG106.6°90.0°
CAJNBECAMCBF178.1°179.7°
CAJNBECAMCAN179.6°180.0°
CAJNBECBFCBK73.1°90.5°
NARCASCAUCBD179.8°0.4°
NARCASCAUCAV1.0°180.0°
CASNARCAPHAQ38.5°23.8°
CASCAUCBDCAV178.9°179.7°
CASCAUCBDCBC179.3°179.7°
CASCAUCAVNAW1.2°0.0°
CASCAUCAVCBA179.0°179.9°
CAUCASNARHBK2.1°0.1°
CASCAUCBDHBD0.7°0.1°
CBHCBGCBFHBG180.0°179.6°
CBHCBGCBFNBE179.9°179.9°
CBGCBHCBIHBH180.0°179.9°
CBHCBGCBFCBK0.2°0.6°
CBGCBHCBICBJ0.4°0.1°
CBGCBHCBIHBI179.6°179.9°
CBGCBFNBECAM71.0°90.3°
CBGCBFNBECBK179.7°179.5°
CBFCBGCBHCBI0.2°0.4°
CBGCBFCBKCBJ0.3°0.6°
CBGCBFCBKCL1179.5°179.7°
CBFCBGCBHHBH179.9°179.7°
NBECAMCANCAQ169.4°122.1°
CAMNBECBFCBK109.3°89.2°
NBECAMCANHAN40.1°9.1°
CANCAMNBECBF2.3°0.3°
CAMCANCAQHAN129.3°130.8°
CAMCANCAQHAS122.0°25.5°
CAMCANCAQHAR6.1°105.4°
CAMCANCAOHAP7.0°105.5°
CAMCANCAOHAO120.3°25.4°
NBECBFCBKCBJ180.0°180.0°
NBECBFCBKCL10.8°0.2°
NBECBFCBGHBG0.1°0.3°
CANCAQHASHAR130.7°131.2°
CAQCANCAOHAP108.9°139.9°
CAQCANCAOHAO123.8°89.2°
CANCAQCAPHAQ122.8°139.9°
CAUCBDCBCHBD180.0°179.6°
CAUCBDCBCNBB0.8°0.6°
CBDCAUCAVNAW179.9°179.7°
CBDCAUCAVCBA0.2°0.3°
CAUCBDCBCHBC179.2°179.7°
CBCCBDCAUCAV0.3°0.6°
CBDCBCNBBHBC180.0°179.7°
CBDCBCNBBCBA1.1°0.3°
CBHCBICBJHBI180.0°179.9°
CBHCBICBJCBK0.3°0.0°
CBHCBICBJHBJ179.7°180.0°
CBICBHCBGHBG179.8°180.0°
CAUCAVNAWCBA179.7°180.0°
CAUCAVNAWCAX179.8°180.0°
CAUCAVCBANBB0.5°0.0°
CAUCAVCBACAZ179.6°180.0°
CAVCAUCBDHBD179.6°179.8°
CBFCBKCBJCBI0.1°0.3°
CBFCBKCBJCL1179.3°179.8°
CBFCBKCBJHBJ179.9°179.8°
CBKCBFCBGHBG179.8°179.7°
CBCNBBCBACAV1.0°0.0°
CBCNBBCBACAZ179.1°179.9°
NBBCBCCBDHBD179.2°179.7°
NAWCAVCBANBB179.8°180.0°
NAWCAVCBACAZ0.1°0.1°
CAVNAWCAXCAY0.6°0.1°
CAVNAWCAXHAX179.4°180.0°
CBACAVNAWCAX0.4°0.0°
CAVCBANBBCAZ179.9°179.9°
CAVCBACAZCAY0.5°0.1°
CAVCBACAZHAZ179.5°180.0°
NAWCAXCAYHAX180.0°179.9°
NAWCAXCAYCAZ0.2°0.0°
NAWCAXCAYHAY179.8°179.9°
NBBCBACAZCAY179.4°180.0°
NBBCBACAZHAZ0.6°0.1°
CBANBBCBCHBC178.9°180.0°
CBACAZCAYCAX0.3°0.0°
CBACAZCAYHAZ180.0°179.9°
CBACAZCAYHAY179.7°180.0°
CBICBJCBKHBJ180.0°179.9°
CBICBJCBKCL1179.3°180.0°
CBJCBICBHHBH179.6°180.0°
CAXCAYCAZHAY180.0°180.0°
CAXCAYCAZHAZ179.7°179.9°
CBKCBJCBIHBI179.7°180.0°
CL1CBKCBJHBJ0.7°0.0°
CAZCAYCAXHAX179.8°180.0°
HBJCBJCBIHBI0.3°0.1°
HBICBICBHHBH0.4°0.0°
HBHCBHCBGHBG0.1°0.0°
HAHCAHCAIHAI0.4°0.0°
HADCABCAAHAC61.1°NaN°
HADCABCAAHAA179.0°59.9°
HADCABCAAHAB59.0°60.1°
HAECABCAAHAC61.0°59.9°
HAECABCAAHAA59.0°180.0°
HAECABCAAHAB178.9°60.0°
HACCAAHAAHAB120.0°120.0°
HANCANCAQHAS7.4°156.3°
HANCANCAQHAR135.5°25.5°
HANCANCAOHAP135.5°25.4°
HANCANCAOHAO8.1°156.3°
HASCAQCAPHAQ121.3°25.4°
HARCAQCAPHAQ6.8°105.5°
HAPCAOCAPHAQ5.9°105.3°
HAOCAOCAPHAQ121.4°25.6°
HAQCAPNARHBK141.5°156.2°
HAXCAXCAYHAY0.2°0.0°
HAYCAYCAZHAZ0.3°0.1°
HBCCBCCBDHBD0.8°0.1°

223790

PDB entries from 2024-08-14

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