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XHE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OBACAXdoub1.22Å1.24Å
CAXCAWsing1.40Å1.40Å
CAXNAYsing1.34Å1.34Å
CAWCAVdoub1.38Å1.41Å
CBCNAYsing1.47Å1.50Å
NAYCAZsing1.36Å1.42Å
CBJCBHsing1.53Å1.48Å
CBJCBIsing1.53Å1.47Å
CACsing1.51Å1.55Å
CANsing1.46Å1.51Å
NBFCsing1.35Å1.37Å
NBFCBHsing1.47Å1.49Å
COdoub1.21Å1.24Å
CAVNsing1.38Å1.36Å
CAVCAUsing1.42Å1.43Å
CBHCBIsing1.53Å1.49Å
CAZCAUdoub1.36Å1.39Å
CAUCAAsing1.48Å1.44Å
CAACAFdoub1.39Å1.41ÅAromatic
CAACABsing1.40Å1.41ÅAromatic
CAFCAEsing1.38Å1.43ÅAromatic
OAKCAHsing1.43Å1.47Å
OAGCABsing1.36Å1.35Å
OAGCALsing1.36Å1.35Å
CABCACdoub1.39Å1.43ÅAromatic
CASCAQsing1.51Å1.42Å
CAECAHsing1.51Å1.42Å
CAECADdoub1.38Å1.41ÅAromatic
CAHCAIsing1.53Å1.54Å
CAHCAJsing1.53Å1.53Å
CALCAQdoub1.39Å1.42ÅAromatic
CALCAMsing1.39Å1.39ÅAromatic
CAQCAPsing1.38Å1.40ÅAromatic
CARCAMsing1.51Å1.38Å
CACCADsing1.38Å1.39ÅAromatic
CAMCANdoub1.38Å1.38ÅAromatic
CAPCAOdoub1.38Å1.39ÅAromatic
CANCAOsing1.38Å1.40ÅAromatic
CAOFATsing1.35Å1.20Å
CBIH1sing1.09Å1.10Å
CBIH2sing1.09Å1.10Å
CBJH3sing1.09Å1.10Å
CBJH4sing1.09Å1.10Å
CBHH5sing1.09Å1.10Å
NBFH6sing0.97Å1.00Å
CAH7sing1.09Å1.10Å
CAH8sing1.09Å1.10Å
NH9sing0.97Å1.00Å
CAWH10sing1.08Å1.08Å
CBCH11sing1.09Å1.10Å
CBCH12sing1.09Å1.10Å
CBCH13sing1.09Å1.10Å
CAZH14sing1.08Å1.08Å
CAFH15sing1.08Å1.08Å
CAIH16sing1.09Å1.10Å
CAIH17sing1.09Å1.10Å
CAIH18sing1.09Å1.10Å
CAJH19sing1.09Å1.10Å
CAJH20sing1.09Å1.10Å
CAJH21sing1.09Å1.10Å
OAKH22sing0.97Å0.95Å
CADH23sing1.08Å1.08Å
CACH24sing1.08Å1.08Å
CARH25sing1.09Å1.10Å
CARH26sing1.09Å1.10Å
CARH27sing1.09Å1.10Å
CANH28sing1.08Å1.08Å
CAPH29sing1.08Å1.08Å
CASH30sing1.09Å1.10Å
CASH31sing1.09Å1.10Å
CASH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OBACAXCAW122.4°119.8°
OBACAXNAY119.7°119.8°
CAWCAXNAY118.0°120.4°
CAXCAWCAV122.4°119.3°
CAXCAWH10118.8°120.4°
CAXNAYCBC116.7°119.3°
CAXNAYCAZ121.8°121.3°
CAWCAVN120.3°120.6°
CAWCAVCAU119.7°118.8°
CAVCAWH10118.8°120.4°
CBCNAYCAZ121.6°119.3°
NAYCBCH11109.5°109.5°
NAYCBCH12109.5°109.5°
NAYCBCH13109.5°109.5°
NAYCAZCAU122.5°120.7°
NAYCAZH14118.8°119.7°
CBHCBJCBI60.9°60.0°
CBJCBHNBF115.1°117.5°
CBJCBHCBI59.3°60.0°
CBHCBJH3119.8°117.5°
CBHCBJH4119.8°117.5°
CBJCBHH5118.1°117.6°
CBJCBICBH59.8°60.1°
CBJCBIH1120.0°117.5°
CBJCBIH2120.0°117.5°
CBICBJH3119.8°117.5°
CBICBJH4119.9°117.6°
CCAN109.4°109.5°
CACNBF114.4°120.0°
CACO121.6°120.0°
CCAH7109.5°109.5°
CCAH8109.5°109.5°
CANCAV126.0°120.0°
NCAH7109.5°109.4°
NCAH8109.5°109.5°
CANH9105.2°120.0°
CNBFCBH125.3°120.0°
NBFCO124.0°120.0°
CNBFH6117.4°120.0°
NBFCBHCBI115.7°117.5°
NBFCBHH5117.8°115.5°
CBHNBFH6117.4°120.0°
NCAVCAU120.0°120.6°
CAVNH9105.2°120.0°
CAVCAUCAZ115.7°119.5°
CAVCAUCAA129.8°120.2°
CBHCBIH1120.0°117.5°
CBHCBIH2120.0°117.5°
CBICBHH5117.8°117.5°
CAZCAUCAA114.5°120.3°
CAUCAZH14118.8°119.6°
CAUCAACAF119.6°120.2°
CAUCAACAB125.7°120.1°
CAFCAACAB114.6°119.7°
CAACAFCAE123.4°119.9°
CAACAFH15118.3°120.0°
CAACABOAG111.9°120.1°
CAACABCAC123.1°119.8°
CAFCAECAH119.8°119.9°
CAFCAECAD119.9°120.2°
CAECAFH15118.3°120.1°
OAKCAHCAE109.8°109.5°
OAKCAHCAI109.1°109.5°
OAKCAHCAJ110.2°109.4°
CAHOAKH22109.5°114.1°
CABOAGCAL118.7°118.0°
OAGCABCAC124.9°120.1°
OAGCALCAQ120.1°120.1°
OAGCALCAM116.4°120.0°
CABCACCAD120.7°120.1°
CABCACH24119.6°120.0°
CASCAQCAL122.9°120.0°
CASCAQCAP119.1°120.0°
CAQCASH30109.5°109.4°
CAQCASH31109.5°109.5°
CAQCASH32109.5°109.5°
CAHCAECAD120.2°119.9°
CAECAHCAI107.8°109.5°
CAECAHCAJ112.2°109.4°
CAECADCAC118.1°120.3°
CAECADH23120.9°119.8°
CAICAHCAJ107.7°109.5°
CAHCAIH16109.5°109.5°
CAHCAIH17109.5°109.5°
CAHCAIH18109.5°109.5°
CAHCAJH19109.5°109.5°
CAHCAJH20109.5°109.4°
CAHCAJH21109.5°109.5°
CAQCALCAM123.4°119.9°
CALCAQCAP118.0°120.0°
CALCAMCAR121.9°120.0°
CALCAMCAN117.6°119.9°
CAQCAPCAO118.4°120.0°
CAQCAPH29120.8°120.0°
CARCAMCAN120.5°120.1°
CAMCARH25109.5°109.4°
CAMCARH26109.5°109.5°
CAMCARH27109.4°109.5°
CACCADH23120.9°119.9°
CADCACH24119.6°119.9°
CAMCANCAO120.2°120.1°
CAMCANH28119.9°119.9°
CAPCAOCAN122.4°120.1°
CAPCAOFAT119.2°120.0°
CAOCAPH29120.8°120.0°
CANCAOFAT118.4°120.0°
CAOCANH28119.9°120.0°
H1CBIH2109.5°115.5°
H3CBJH4109.5°115.5°
H7CAH8109.5°109.5°
H11CBCH12109.5°109.5°
H11CBCH13109.4°109.5°
H12CBCH13109.5°109.4°
H16CAIH17109.5°109.4°
H16CAIH18109.4°109.5°
H17CAIH18109.5°109.5°
H19CAJH20109.4°109.4°
H19CAJH21109.4°109.5°
H20CAJH21109.5°109.5°
H25CARH26109.5°109.5°
H25CARH27109.5°109.5°
H26CARH27109.5°109.5°
H30CASH31109.4°109.5°
H30CASH32109.5°109.5°
H31CASH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OBACAXCAWNAY180.0°180.0°
OBACAXCAWCAV179.9°180.0°
OBACAXNAYCBC0.0°0.0°
OBACAXNAYCAZ179.8°180.0°
OBACAXCAWH100.1°0.0°
CAXCAWCAVH10180.0°180.0°
CAWCAXNAYCBC180.0°180.0°
CAWCAXNAYCAZ0.2°0.0°
CAXCAWCAVN179.1°180.0°
CAXCAWCAVCAU0.7°0.3°
NAYCAXCAWCAV0.1°0.0°
CAXNAYCBCCAZ179.8°180.0°
CAXNAYCAZCAU0.8°0.3°
NAYCAXCAWH10179.9°180.0°
CAXNAYCBCH11180.0°0.0°
CAXNAYCBCH1260.0°120.0°
CAXNAYCBCH1360.0°120.0°
CAXNAYCAZH14179.2°180.0°
CAWCAVNCA23.7°0.3°
CAWCAVNCAU178.4°179.7°
CAWCAVCAUCAZ1.2°0.6°
CAWCAVCAUCAA178.6°179.7°
CAWCAVNH9146.0°179.7°
CBCNAYCAZCAU179.4°179.7°
NAYCBCH11H12120.0°120.0°
NAYCBCH11H13120.0°120.0°
NAYCBCH12H13120.0°120.0°
CBCNAYCAZH140.6°0.0°
NAYCAZCAUCAV1.3°0.6°
NAYCAZCAUH14180.0°179.7°
NAYCAZCAUCAA178.6°179.7°
CAZNAYCBCH110.2°180.0°
CAZNAYCBCH12120.2°60.0°
CAZNAYCBCH13119.8°60.0°
CBHCBJCBIH3109.7°107.5°
CBHCBJCBIH4109.7°107.5°
CBJCBHNBFC150.4°155.0°
CBJCBHNBFCBI66.4°68.6°
CBJCBHNBFH5146.6°145.7°
CBJCBHCBIH5107.8°107.5°
CBHCBJCBIH1109.4°107.5°
CBHCBJCBIH2109.4°107.5°
CBHCBJH3H4144.2°145.7°
CBJCBHNBFH629.7°25.0°
CBJCBIH1H2144.9°145.7°
CBICBJH3H4144.2°145.7°
CCANH7120.0°120.0°
CCANH8120.0°120.0°
CACNBFO179.9°180.0°
CACNBFCBH179.7°180.0°
CCANCAV165.8°180.0°
CACNBFH60.2°0.0°
CCAH7H8120.0°120.0°
CCANH972.0°0.0°
NCACNBF158.8°180.0°
NCACO21.1°0.0°
CANCAVH9122.2°180.0°
CANCAVCAU157.8°180.0°
NCAH7H8120.0°120.0°
CNBFCBHH6180.0°180.0°
CNBFCBHCBI143.2°136.4°
CNBFCBHH53.8°9.3°
NBFCCAH781.2°60.0°
NBFCCAH838.8°60.0°
CBHNBFCO0.2°0.0°
NBFCBHCBIH5147.0°145.0°
NBFCBHCBIH14.2°0.1°
NBFCBHCBIH2145.4°145.0°
NBFCBHCBJH33.5°145.0°
NBFCBHCBJH4144.0°0.0°
OCNBFH6179.9°180.0°
OCCAH798.9°120.0°
OCCAH8141.1°120.0°
NCAVCAUCAZ179.6°179.7°
NCAVCAUCAA0.2°0.0°
CAVNCAH745.8°60.0°
CAVNCAH874.2°60.0°
NCAVCAWH100.9°0.0°
CAVCAUCAZCAA179.8°179.7°
CAVCAUCAACAF126.3°75.0°
CAVCAUCAACAB55.0°104.8°
CAUCAVNH935.6°0.0°
CAUCAVCAWH10179.3°179.7°
CAVCAUCAZH14178.8°179.7°
CBHCBIH1H2144.9°145.6°
CBICBHNBFH636.8°43.6°
CAZCAUCAACAF53.5°105.3°
CAZCAUCAACAB125.2°75.0°
CAUCAACAFCAB178.8°179.8°
CAUCAACAFCAE178.2°180.0°
CAUCAACABOAG1.5°0.1°
CAUCAACABCAC178.7°179.7°
CAACAUCAZH141.4°0.0°
CAUCAACAFH151.8°0.0°
CAACAFCAEH15180.0°180.0°
CAFCAACABOAG179.7°179.7°
CAFCAACABCAC0.0°0.5°
CAACAFCAECAH179.5°179.9°
CAACAFCAECAD1.0°0.0°
CABCAACAFCAE0.6°0.2°
CAACABOAGCAC179.7°179.8°
CAACABOAGCAL175.3°180.0°
CAACABCACCAD0.2°0.6°
CABCAACAFH15179.4°179.8°
CAACABCACH24179.8°179.8°
CAFCAECAHOAK1.6°29.9°
CAFCAECAHCAD178.5°179.9°
CAFCAECAHCAI117.2°150.0°
CAFCAECAHCAJ124.4°90.0°
CAFCAECADCAC0.8°0.0°
CAFCAECADH23179.2°180.0°
OAKCAHCAECAI118.7°120.1°
OAKCAHCAECAJ122.9°119.9°
OAKCAHCAECAD179.9°150.0°
OAKCAHCAICAJ119.6°120.0°
OAKCAHCAIH16180.0°179.9°
OAKCAHCAIH1760.0°60.0°
OAKCAHCAIH1860.0°60.0°
OAKCAHCAJH19180.0°59.9°
OAKCAHCAJH2060.0°60.0°
OAKCAHCAJH2160.0°180.0°
CABOAGCALCAQ84.7°90.1°
CABOAGCALCAM96.1°89.7°
OAGCABCACCAD179.8°179.7°
OAGCABCACH240.1°0.0°
CALOAGCABCAC5.0°0.3°
OAGCALCAQCAS2.0°0.1°
OAGCALCAQCAM179.2°179.8°
OAGCALCAQCAP179.2°179.8°
OAGCALCAMCAR0.1°0.0°
OAGCALCAMCAN178.4°180.0°
CABCACCADCAE0.2°0.3°
CABCACCADH24180.0°179.6°
CABCACCADH23179.8°179.7°
CASCAQCALCAP178.8°179.8°
CASCAQCALCAM178.8°179.7°
CASCAQCAPCAO179.5°179.7°
CASCAQCAPH290.5°0.1°
CAQCASH30H31120.0°120.0°
CAQCASH30H32120.0°119.9°
CAQCASH31H32120.0°120.0°
CAECAHCAICAJ121.3°119.9°
CAHCAECADCAC179.3°180.0°
CAHCAECAFH150.5°0.1°
CAECAHCAIH1660.9°60.0°
CAECAHCAIH1759.2°179.9°
CAECAHCAIH18179.2°60.0°
CAECAHCAJH1957.3°60.0°
CAECAHCAJH20177.3°180.0°
CAECAHCAJH2162.7°60.0°
CAECAHOAKH22180.0°59.9°
CAHCAECADH230.7°0.0°
CADCAECAHCAI61.3°29.9°
CADCAECAHCAJ57.0°90.0°
CAECADCACH23180.0°180.0°
CADCAECAFH15179.0°180.0°
CAECADCACH24179.8°180.0°
CAHCAIH16H17120.0°120.0°
CAHCAIH16H18120.0°120.0°
CAHCAIH17H18120.0°120.0°
CAICAHCAJH1961.1°180.0°
CAICAHCAJH2058.9°60.0°
CAICAHCAJH21178.9°59.9°
CAICAHOAKH2262.1°180.0°
CAJCAHCAIH1660.4°59.9°
CAJCAHCAIH17179.6°60.0°
CAJCAHCAIH1859.6°180.0°
CAHCAJH19H20120.0°120.0°
CAHCAJH19H21120.0°120.1°
CAHCAJH20H21120.0°120.0°
CAJCAHOAKH2255.9°60.0°
CAQCALCAMCAR179.2°179.8°
CAQCALCAMCAN0.9°0.2°
CALCAQCAPCAO0.7°0.5°
CALCAQCAPH29179.3°179.8°
CALCAQCASH3089.3°90.0°
CALCAQCASH31150.7°150.0°
CALCAQCASH3230.7°30.0°
CAMCALCAQCAP0.0°0.5°
CALCAMCARCAN178.2°180.0°
CALCAMCANCAO1.0°0.0°
CALCAMCARH2589.1°90.0°
CALCAMCARH26150.9°150.0°
CALCAMCARH2730.9°30.0°
CALCAMCANH28179.0°180.0°
CAQCAPCAOH29180.0°179.8°
CAQCAPCAOCAN0.5°0.3°
CAQCAPCAOFAT179.2°179.7°
CAPCAQCASH3089.4°89.8°
CAPCAQCASH3130.5°30.2°
CAPCAQCASH32150.6°150.2°
CARCAMCANCAO179.3°180.0°
CAMCARH25H26120.0°120.0°
CAMCARH25H27120.0°120.0°
CAMCARH26H27120.0°120.0°
CARCAMCANH280.7°0.0°
CAMCANCAOCAP0.4°0.0°
CAMCANCAOH28180.0°180.0°
CAMCANCAOFAT178.3°180.0°
CANCAMCARH2589.1°90.0°
CANCAMCARH2630.9°30.0°
CANCAMCARH27150.9°150.0°
CAPCAOCANFAT178.7°180.0°
CAPCAOCANH28179.6°179.9°
CANCAOCAPH29179.5°180.0°
FATCAOCANH281.7°0.0°
FATCAOCAPH290.8°0.0°
H1CBICBJH30.3°145.0°
H1CBICBJH4140.9°0.0°
H1CBICBHH5142.8°145.0°
H2CBICBJH3140.9°0.0°
H2CBICBJH40.3°145.0°
H2CBICBHH51.6°0.0°
H3CBJCBHH5143.0°0.0°
H4CBJCBHH52.5°145.0°
H5CBHNBFH6176.3°170.7°
H7CANH9168.1°120.0°
H8CANH948.0°120.0°
H11CBCH12H13120.0°120.0°
H16CAIH17H18119.9°120.0°
H19CAJH20H21119.9°120.0°
H23CADCACH240.2°0.0°
H25CARH26H27120.0°120.1°
H30CASH31H32120.0°120.1°

224931

PDB entries from 2024-09-11

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