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XGN

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBACAXdoub1.22Å1.25Å
OBKCBJsing1.43Å1.46Å
OBKCBLsing1.43Å1.48Å
CAXCAWsing1.40Å1.41Å
CAXNAYsing1.34Å1.34Å
CAWCAVdoub1.38Å1.40Å
CBCNAYsing1.47Å1.49Å
CBJCBIsing1.53Å1.50Å
CBLCBMsing1.53Å1.53Å
NAYCAZsing1.36Å1.39Å
CACsing1.51Å1.52Å
CANsing1.46Å1.48Å
COdoub1.21Å1.23Å
CNBFsing1.35Å1.37Å
NBFCBMsing1.47Å1.50Å
NBFCBIsing1.47Å1.52Å
CAVNsing1.38Å1.35Å
CAVCAUsing1.42Å1.41Å
CAZCAUdoub1.36Å1.40Å
CAUCAAsing1.48Å1.41Å
CAACAFdoub1.39Å1.40ÅAromatic
CAACABsing1.40Å1.39ÅAromatic
CAFCAEsing1.38Å1.40ÅAromatic
OAKCAHsing1.43Å1.50Å
OAGCABsing1.36Å1.36Å
OAGCALsing1.36Å1.36Å
CAICAHsing1.53Å1.52Å
CABCACdoub1.38Å1.41ÅAromatic
CAECAHsing1.51Å1.43Å
CAECADdoub1.38Å1.41ÅAromatic
CAHCAJsing1.53Å1.55Å
CASCAQsing1.51Å1.41Å
CALCAQdoub1.39Å1.41ÅAromatic
CALCAMsing1.39Å1.40ÅAromatic
CAQCAPsing1.38Å1.39ÅAromatic
CARCAMsing1.51Å1.40Å
CACCADsing1.38Å1.40ÅAromatic
CAMCANdoub1.38Å1.39ÅAromatic
CAPCAOdoub1.38Å1.39ÅAromatic
CANCAOsing1.38Å1.40ÅAromatic
CAOFATsing1.35Å1.33Å
CBIH1sing1.09Å1.10Å
CBIH2sing1.09Å1.10Å
CBJH3sing1.09Å1.10Å
CBJH4sing1.09Å1.10Å
CBLH5sing1.09Å1.10Å
CBLH6sing1.09Å1.10Å
CBMH7sing1.09Å1.10Å
CBMH8sing1.09Å1.10Å
CAH9sing1.09Å1.10Å
CAH10sing1.09Å1.10Å
NH11sing0.97Å1.00Å
CAWH12sing1.08Å1.08Å
CBCH13sing1.09Å1.10Å
CBCH14sing1.09Å1.10Å
CBCH15sing1.09Å1.10Å
CAZH16sing1.08Å1.08Å
CAFH17sing1.08Å1.08Å
CAIH18sing1.09Å1.10Å
CAIH19sing1.09Å1.10Å
CAIH20sing1.09Å1.10Å
CAJH21sing1.09Å1.10Å
CAJH22sing1.09Å1.10Å
CAJH23sing1.09Å1.10Å
OAKH24sing0.97Å0.95Å
CADH25sing1.08Å1.08Å
CACH26sing1.08Å1.08Å
CARH27sing1.09Å1.10Å
CARH28sing1.09Å1.10Å
CARH29sing1.09Å1.10Å
CANH30sing1.08Å1.08Å
CAPH31sing1.08Å1.08Å
CASH32sing1.09Å1.10Å
CASH33sing1.09Å1.10Å
CASH34sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBACAXCAW122.7°119.8°
OBACAXNAY118.5°119.8°
CBJOBKCBL116.4°114.2°
OBKCBJCBI105.6°109.2°
OBKCBJH3110.4°109.6°
OBKCBJH4110.4°109.6°
OBKCBLCBM109.4°109.2°
OBKCBLH5109.5°109.6°
OBKCBLH6109.5°109.5°
CAWCAXNAY118.7°120.4°
CAXCAWCAV121.5°119.2°
CAXCAWH12119.2°120.4°
CAXNAYCBC119.2°119.4°
CAXNAYCAZ121.0°121.3°
CAWCAVN123.4°120.6°
CAWCAVCAU119.1°118.8°
CAVCAWH12119.3°120.4°
CBCNAYCAZ119.7°119.3°
NAYCBCH13109.5°109.4°
NAYCBCH14109.5°109.5°
NAYCBCH15109.5°109.5°
CBJCBINBF113.7°108.4°
CBJCBIH1108.4°109.7°
CBJCBIH2108.4°109.7°
CBICBJH3110.4°109.5°
CBICBJH4110.4°109.5°
CBLCBMNBF107.8°108.4°
CBMCBLH5109.5°109.5°
CBMCBLH6109.5°109.5°
CBLCBMH7109.9°109.7°
CBLCBMH8109.9°109.6°
NAYCAZCAU122.1°120.7°
NAYCAZH16119.0°119.7°
CCAN103.3°109.4°
CACO117.8°120.0°
CACNBF119.8°120.0°
CCAH9111.0°109.4°
CCAH10111.0°109.5°
CANCAV128.0°120.0°
NCAH9111.0°109.5°
NCAH10111.0°109.5°
CANH11104.7°120.1°
OCNBF122.4°120.0°
CNBFCBM125.6°120.9°
CNBFCBI118.9°121.1°
CBMNBFCBI115.5°118.0°
NBFCBMH7109.9°109.7°
NBFCBMH8109.9°109.7°
NBFCBIH1108.4°109.7°
NBFCBIH2108.4°109.7°
NCAVCAU117.5°120.6°
CAVNH11104.7°120.0°
CAVCAUCAZ117.5°119.5°
CAVCAUCAA127.3°120.3°
CAZCAUCAA115.1°120.2°
CAUCAZH16119.0°119.6°
CAUCAACAF117.3°120.1°
CAUCAACAB125.2°120.2°
CAFCAACAB117.4°119.7°
CAACAFCAE123.9°119.9°
CAACAFH17118.0°120.1°
CAACABOAG112.6°120.1°
CAACABCAC120.7°119.8°
CAFCAECAH118.8°119.9°
CAFCAECAD117.7°120.3°
CAECAFH17118.0°120.0°
OAKCAHCAI109.8°109.5°
OAKCAHCAE111.9°109.4°
OAKCAHCAJ109.0°109.5°
CAHOAKH24109.5°114.0°
CABOAGCAL121.4°118.0°
OAGCABCAC126.6°120.1°
OAGCALCAQ119.6°120.1°
OAGCALCAM117.8°120.0°
CAICAHCAE106.5°109.5°
CAICAHCAJ107.9°109.5°
CAHCAIH18109.5°109.5°
CAHCAIH19109.5°109.5°
CAHCAIH20109.5°109.5°
CABCACCAD120.9°120.0°
CABCACH26119.5°120.0°
CAHCAECAD123.6°119.9°
CAECAHCAJ111.6°109.4°
CAECADCAC119.3°120.3°
CAECADH25120.4°119.8°
CAHCAJH21109.5°109.5°
CAHCAJH22109.5°109.5°
CAHCAJH23109.5°109.5°
CASCAQCAL123.3°120.0°
CASCAQCAP118.4°120.0°
CAQCASH32109.5°109.5°
CAQCASH33109.5°109.5°
CAQCASH34109.4°109.5°
CAQCALCAM122.6°119.9°
CALCAQCAP118.3°120.0°
CALCAMCAR123.5°120.0°
CALCAMCAN117.6°119.9°
CAQCAPCAO119.6°120.1°
CAQCAPH31120.2°120.0°
CARCAMCAN118.8°120.0°
CAMCARH27109.5°109.4°
CAMCARH28109.5°109.5°
CAMCARH29109.5°109.5°
CACCADH25120.4°119.9°
CADCACH26119.6°120.0°
CAMCANCAO120.7°120.1°
CAMCANH30119.7°119.9°
CAPCAOCAN121.2°120.0°
CAPCAOFAT120.1°120.0°
CAOCAPH31120.2°120.0°
CANCAOFAT118.7°120.0°
CAOCANH30119.7°120.0°
H1CBIH2109.5°109.7°
H3CBJH4109.5°109.5°
H5CBLH6109.5°109.5°
H7CBMH8109.5°109.7°
H9CAH10109.5°109.5°
H13CBCH14109.5°109.4°
H13CBCH15109.5°109.5°
H14CBCH15109.5°109.5°
H18CAIH19109.5°109.5°
H18CAIH20109.5°109.4°
H19CAIH20109.5°109.5°
H21CAJH22109.5°109.5°
H21CAJH23109.4°109.5°
H22CAJH23109.5°109.5°
H27CARH28109.4°109.5°
H27CARH29109.5°109.5°
H28CARH29109.5°109.5°
H32CASH33109.5°109.4°
H32CASH34109.5°109.4°
H33CASH34109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBACAXCAWNAY178.8°179.9°
OBACAXCAWCAV179.3°179.9°
OBACAXNAYCBC0.6°0.1°
OBACAXNAYCAZ178.6°179.9°
OBACAXCAWH120.7°0.1°
OBKCBJCBIH3119.4°119.9°
OBKCBJCBIH4119.4°120.0°
CBJOBKCBLCBM67.2°62.6°
OBKCBJCBINBF5.6°52.3°
OBKCBJCBIH1126.2°67.4°
OBKCBJCBIH2115.0°172.1°
OBKCBJH3H4121.8°120.2°
CBJOBKCBLH552.8°57.3°
CBJOBKCBLH6172.8°177.5°
CBLOBKCBJCBI55.0°62.6°
OBKCBLCBMH5120.0°120.0°
OBKCBLCBMH6120.0°119.9°
OBKCBLCBMNBF12.1°52.3°
CBLOBKCBJH3174.4°57.3°
CBLOBKCBJH464.4°177.4°
OBKCBLH5H6120.0°120.2°
OBKCBLCBMH7131.9°172.1°
OBKCBLCBMH8107.6°67.4°
CAXCAWCAVH12180.0°179.9°
CAWCAXNAYCBC179.4°180.0°
CAWCAXNAYCAZ0.3°0.1°
CAXCAWCAVN178.7°180.0°
CAXCAWCAVCAU0.9°0.3°
NAYCAXCAWCAV0.5°0.1°
CAXNAYCBCCAZ179.2°180.0°
CAXNAYCAZCAU0.7°0.3°
NAYCAXCAWH12179.5°180.0°
CAXNAYCBCH13180.0°0.0°
CAXNAYCBCH1460.0°120.0°
CAXNAYCBCH1560.0°119.9°
CAXNAYCAZH16179.3°180.0°
CAWCAVNCA27.5°0.3°
CAWCAVNCAU177.9°179.7°
CAWCAVCAUCAZ0.4°0.6°
CAWCAVCAUCAA178.3°179.7°
CAWCAVNH1194.9°179.7°
CBCNAYCAZCAU179.9°179.7°
NAYCBCH13H14120.0°120.0°
NAYCBCH13H15120.0°120.0°
NAYCBCH14H15120.0°120.1°
CBCNAYCAZH160.1°0.0°
CBJCBINBFC123.2°129.5°
CBJCBINBFCBM56.3°50.5°
CBJCBINBFH1120.6°119.8°
CBJCBINBFH2120.6°119.8°
CBJCBIH1H2118.0°120.5°
CBICBJH3H4121.8°120.1°
CBLCBMNBFC135.8°129.5°
CBLCBMNBFH7119.7°119.7°
CBLCBMNBFH8119.7°119.7°
CBLCBMNBFCBI43.6°50.5°
CBMCBLH5H6120.0°120.1°
CBLCBMH7H8120.7°120.5°
NAYCAZCAUCAV0.4°0.6°
NAYCAZCAUH16180.0°179.7°
NAYCAZCAUCAA177.8°179.7°
CAZNAYCBCH130.8°180.0°
CAZNAYCBCH14120.8°60.0°
CAZNAYCBCH15119.2°60.0°
CCANH9119.0°119.9°
CCANH10119.0°120.0°
CACONBF178.8°179.9°
CACNBFCBM1.6°180.0°
CACNBFCBI179.1°0.1°
CCANCAV102.4°180.0°
CCAH9H10122.8°120.0°
CCANH1120.0°0.0°
NCACO39.5°0.1°
NCACNBF139.2°180.0°
CANCAVH11122.4°180.0°
CANCAVCAU154.6°180.0°
NCAH9H10122.9°120.1°
OCNBFCBM179.7°0.0°
OCNBFCBI0.3°180.0°
OCCAH9158.6°120.0°
OCCAH1079.5°120.0°
CNBFCBMCBI179.4°180.0°
CNBFCBIH12.5°110.7°
CNBFCBIH2116.2°9.7°
CNBFCBMH7104.4°9.8°
CNBFCBMH816.1°110.8°
NBFCCAH920.2°60.1°
NBFCCAH10101.7°60.0°
CBMNBFCBIH1176.9°69.3°
CBMNBFCBIH264.4°170.3°
NBFCBMCBLH5107.9°67.6°
NBFCBMCBLH6132.1°172.2°
NBFCBMH7H8120.8°120.6°
NBFCBIH1H2118.1°120.5°
NBFCBICBJH3113.8°67.6°
NBFCBICBJH4125.0°172.3°
CBINBFCBMH776.2°170.2°
CBINBFCBMH8163.3°69.2°
NCAVCAUCAZ178.4°179.7°
NCAVCAUCAA3.6°0.0°
CAVNCAH9138.5°60.0°
CAVNCAH1016.6°60.0°
NCAVCAWH121.3°0.0°
CAVCAUCAZCAA178.2°179.8°
CAVCAUCAACAF124.3°75.0°
CAVCAUCAACAB57.9°104.8°
CAUCAVNH1183.0°0.0°
CAUCAVCAWH12179.2°179.8°
CAVCAUCAZH16179.6°179.7°
CAZCAUCAACAF53.7°105.2°
CAZCAUCAACAB124.1°75.0°
CAUCAACAFCAB177.9°179.8°
CAUCAACAFCAE177.5°180.0°
CAUCAACABOAG2.8°0.0°
CAUCAACABCAC178.6°179.7°
CAACAUCAZH162.2°0.0°
CAUCAACAFH172.5°0.0°
CAACAFCAEH17180.0°180.0°
CAFCAACABOAG179.5°179.8°
CAFCAACABCAC0.8°0.5°
CAACAFCAECAH179.1°179.9°
CAACAFCAECAD1.6°0.0°
CABCAACAFCAE0.5°0.2°
CAACABOAGCAC178.5°179.7°
CAACABOAGCAL175.9°179.9°
CAACABCACCAD1.0°0.6°
CABCAACAFH17179.5°179.7°
CAACABCACH26178.9°179.8°
CAFCAECAHOAK21.0°30.0°
CAFCAECAHCAI99.0°90.0°
CAFCAECAHCAD179.3°180.0°
CAFCAECAHCAJ143.4°150.0°
CAFCAECADCAC1.3°0.0°
CAFCAECADH25178.7°180.0°
OAKCAHCAICAE121.3°120.0°
OAKCAHCAICAJ118.6°120.0°
OAKCAHCAECAJ122.4°120.0°
OAKCAHCAECAD159.8°150.0°
OAKCAHCAIH18180.0°180.0°
OAKCAHCAIH1960.0°60.0°
OAKCAHCAIH2060.0°60.0°
OAKCAHCAJH21180.0°60.0°
OAKCAHCAJH2260.0°60.0°
OAKCAHCAJH2360.0°180.0°
CABOAGCALCAQ81.7°90.0°
CABOAGCALCAM99.7°89.8°
OAGCABCACCAD179.4°179.7°
OAGCABCACH260.5°0.0°
CALOAGCABCAC5.6°0.3°
OAGCALCAQCAS0.6°0.0°
OAGCALCAQCAM178.5°179.8°
OAGCALCAQCAP179.2°179.7°
OAGCALCAMCAR0.9°0.0°
OAGCALCAMCAN178.7°180.0°
CAICAHCAECAJ117.6°120.0°
CAICAHCAECAD80.2°90.0°
CAHCAIH18H19120.0°120.0°
CAHCAIH18H20120.0°120.0°
CAHCAIH19H20120.0°120.0°
CAICAHCAJH2160.9°180.0°
CAICAHCAJH2259.2°60.0°
CAICAHCAJH23179.2°60.0°
CAICAHOAKH24180.0°60.0°
CABCACCADCAE0.1°0.3°
CABCACCADH26180.0°179.7°
CABCACCADH25179.9°179.7°
CAHCAECADCAC179.4°180.0°
CAHCAECAFH170.9°0.0°
CAECAHCAIH1858.7°60.0°
CAECAHCAIH1961.3°180.0°
CAECAHCAIH20178.7°60.0°
CAECAHCAJH2155.9°60.0°
CAECAHCAJH22175.9°180.0°
CAECAHCAJH2364.1°60.0°
CAECAHOAKH2461.9°60.0°
CAHCAECADH250.6°0.0°
CADCAECAHCAJ37.4°30.0°
CAECADCACH25180.0°180.0°
CADCAECAFH17178.4°180.0°
CAECADCACH26179.9°180.0°
CAJCAHCAIH1861.4°60.0°
CAJCAHCAIH19178.7°60.0°
CAJCAHCAIH2058.6°180.0°
CAHCAJH21H22120.0°120.0°
CAHCAJH21H23120.0°120.0°
CAHCAJH22H23120.0°120.0°
CAJCAHOAKH2462.0°180.0°
CASCAQCALCAP179.8°179.8°
CASCAQCALCAM179.2°179.7°
CASCAQCAPCAO179.0°179.7°
CASCAQCAPH311.0°0.0°
CAQCASH32H33120.0°120.0°
CAQCASH32H34120.0°120.0°
CAQCASH33H34120.0°120.0°
CAQCALCAMCAR179.5°179.8°
CAQCALCAMCAN0.1°0.2°
CALCAQCAPCAO0.8°0.5°
CALCAQCAPH31179.2°179.7°
CALCAQCASH3290.1°90.0°
CALCAQCASH33149.9°150.0°
CALCAQCASH3429.9°30.0°
CAMCALCAQCAP0.7°0.5°
CALCAMCARCAN179.5°180.0°
CALCAMCANCAO0.3°0.0°
CALCAMCARH2789.8°90.0°
CALCAMCARH28150.3°150.0°
CALCAMCARH2930.3°30.0°
CALCAMCANH30179.6°180.0°
CAQCAPCAOH31180.0°179.8°
CAQCAPCAOCAN0.4°0.3°
CAQCAPCAOFAT179.4°179.7°
CAPCAQCASH3290.1°89.8°
CAPCAQCASH3329.9°30.3°
CAPCAQCASH34149.9°150.2°
CARCAMCANCAO179.9°180.0°
CAMCARH27H28120.0°120.0°
CAMCARH27H29120.0°120.0°
CAMCARH28H29120.0°120.0°
CARCAMCANH300.0°0.0°
CAMCANCAOCAP0.2°0.0°
CAMCANCAOH30180.0°180.0°
CAMCANCAOFAT180.0°180.0°
CANCAMCARH2789.8°90.0°
CANCAMCARH2830.2°30.0°
CANCAMCARH29150.2°150.0°
CAPCAOCANFAT179.8°180.0°
CAPCAOCANH30179.8°180.0°
CANCAOCAPH31179.6°180.0°
FATCAOCANH300.1°0.0°
FATCAOCAPH310.6°0.0°
H1CBICBJH36.9°172.7°
H1CBICBJH4114.4°52.6°
H2CBICBJH3125.6°52.2°
H2CBICBJH44.3°67.9°
H5CBLCBMH711.8°52.1°
H5CBLCBMH8132.4°172.6°
H6CBLCBMH7108.1°68.0°
H6CBLCBMH812.4°52.5°
H9CANH1199.0°120.0°
H10CANH11139.0°120.0°
H13CBCH14H15120.0°120.0°
H18CAIH19H20120.0°119.9°
H21CAJH22H23119.9°120.0°
H25CADCACH260.1°0.0°
H27CARH28H29120.0°120.0°
H32CASH33H34120.0°119.9°

225946

PDB entries from 2024-10-09

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