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9JU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAYCAXsing1.53Å1.57Å
CAYCAZsing1.53Å1.57Å
CAXCBEsing1.53Å1.59Å
CAXCAWsing1.53Å1.58Å
CBECBCsing1.53Å1.57Å
CAZCBBsing1.53Å1.57Å
CAZCBAsing1.53Å1.57Å
CAWCAVsing1.53Å1.58Å
CBBCBCsing1.53Å1.57Å
CAROASsing1.43Å1.43Å
CARCAQsing1.53Å1.53Å
CBACAVsing1.53Å1.58Å
CBCCBDsing1.53Å1.58Å
CAVCBDsing1.53Å1.60Å
CAVNATsing1.46Å1.49Å
CAQCAPsing1.53Å1.53Å
NATCAMsing1.35Å1.36Å
CAPCAOsing1.53Å1.53Å
OAUCAMdoub1.22Å1.23Å
CAMCAJsing1.48Å1.36Å
NAICAJdoub1.32Å1.34ÅAromatic
NAINAHsing1.28Å1.23ÅAromatic
CAJCAKsing1.41Å1.34ÅAromatic
CAOCANsing1.53Å1.53Å
NAHCANsing1.46Å1.51Å
NAHCAGsing1.36Å1.35ÅAromatic
CAKCALsing1.51Å1.54Å
CAKCAGdoub1.37Å1.33ÅAromatic
CAGCAEsing1.48Å1.35Å
CAFCAEdoub1.40Å1.40ÅAromatic
CAFCAAsing1.38Å1.40ÅAromatic
CAECADsing1.39Å1.41ÅAromatic
CAACABdoub1.38Å1.40ÅAromatic
CADCACdoub1.38Å1.40ÅAromatic
CABCACsing1.38Å1.40ÅAromatic
CAWH1sing1.09Å1.10Å
CAWH2sing1.09Å1.10Å
CAXH3sing1.09Å1.10Å
CBEH4sing1.09Å1.10Å
CBEH5sing1.09Å1.10Å
CAYH6sing1.09Å1.10Å
CAYH7sing1.09Å1.10Å
CAZH8sing1.09Å1.10Å
CBAH9sing1.09Å1.10Å
CBAH10sing1.09Å1.10Å
CBBH11sing1.09Å1.10Å
CBBH12sing1.09Å1.10Å
CBCH13sing1.09Å1.10Å
CBDH14sing1.09Å1.10Å
CBDH15sing1.09Å1.10Å
NATH16sing0.97Å1.00Å
CALH17sing1.09Å1.10Å
CALH18sing1.09Å1.10Å
CALH19sing1.09Å1.10Å
CANH20sing1.09Å1.10Å
CANH21sing1.09Å1.10Å
CAOH22sing1.09Å1.10Å
CAOH23sing1.09Å1.10Å
CAPH24sing1.09Å1.10Å
CAPH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CAQH27sing1.09Å1.10Å
CARH28sing1.09Å1.10Å
CARH29sing1.09Å1.10Å
OASH30sing0.97Å0.95Å
CADH31sing1.08Å1.08Å
CACH32sing1.08Å1.08Å
CABH33sing1.08Å1.08Å
CAAH34sing1.08Å1.08Å
CAFH35sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAXCAYCAZ110.0°109.4°
CAYCAXCBE109.0°109.5°
CAYCAXCAW109.0°109.4°
CAYCAXH3109.7°109.5°
CAXCAYH6109.4°109.5°
CAXCAYH7109.4°109.4°
CAYCAZCBB109.8°109.5°
CAYCAZCBA108.7°109.5°
CAZCAYH6109.4°109.5°
CAZCAYH7109.3°109.4°
CAYCAZH8109.7°109.4°
CBECAXCAW110.1°109.5°
CAXCBECBC110.3°109.5°
CBECAXH3109.5°109.5°
CAXCBEH4109.3°109.5°
CAXCBEH5109.3°109.5°
CAXCAWCAV109.5°109.5°
CAXCAWH1109.5°109.4°
CAXCAWH2109.5°109.5°
CAWCAXH3109.6°109.4°
CBECBCCBB108.9°109.4°
CBECBCCBD109.3°109.5°
CBCCBEH4109.3°109.4°
CBCCBEH5109.3°109.5°
CBECBCH13109.8°109.5°
CBBCAZCBA109.2°109.5°
CAZCBBCBC110.2°109.5°
CBBCAZH8109.7°109.5°
CAZCBBH11109.3°109.4°
CAZCBBH12109.3°109.5°
CAZCBACAV110.7°109.5°
CBACAZH8109.7°109.5°
CAZCBAH9109.2°109.5°
CAZCBAH10109.2°109.5°
CAWCAVCBA108.3°109.5°
CAWCAVCBD109.8°109.5°
CAWCAVNAT111.7°109.5°
CAVCAWH1109.5°109.5°
CAVCAWH2109.5°109.5°
CBBCBCCBD109.4°109.5°
CBCCBBH11109.3°109.5°
CBCCBBH12109.3°109.5°
CBBCBCH13109.8°109.5°
OASCARCAQ110.0°109.5°
OASCARH28109.3°109.5°
OASCARH29109.4°109.5°
CAROASH30109.5°114.0°
CARCAQCAP109.6°109.5°
CARCAQH26109.5°109.5°
CARCAQH27109.4°109.4°
CAQCARH28109.4°109.4°
CAQCARH29109.3°109.4°
CBACAVCBD108.4°109.4°
CBACAVNAT106.1°109.5°
CAVCBAH9109.2°109.4°
CAVCBAH10109.2°109.5°
CBCCBDCAV109.9°109.5°
CBDCBCH13109.7°109.5°
CBCCBDH14109.4°109.5°
CBCCBDH15109.4°109.5°
CBDCAVNAT112.3°109.5°
CAVCBDH14109.4°109.5°
CAVCBDH15109.4°109.4°
CAVNATCAM129.5°120.0°
CAVNATH16115.3°120.0°
CAQCAPCAO109.6°109.5°
CAQCAPH24109.4°109.5°
CAQCAPH25109.5°109.5°
CAPCAQH26109.4°109.5°
CAPCAQH27109.4°109.5°
NATCAMOAU123.8°120.0°
NATCAMCAJ113.6°120.0°
CAMNATH16115.3°119.9°
CAPCAOCAN110.2°109.5°
CAPCAOH22109.3°109.5°
CAPCAOH23109.3°109.5°
CAOCAPH24109.5°109.4°
CAOCAPH25109.4°109.5°
OAUCAMCAJ122.6°120.0°
CAMCAJNAI122.8°126.3°
CAMCAJCAK130.6°126.4°
CAJNAINAH111.0°110.5°
NAICAJCAK106.6°107.3°
NAINAHCAN119.4°125.0°
NAINAHCAG108.4°110.0°
CAJCAKCAL128.8°127.3°
CAJCAKCAG105.9°105.5°
CAOCANNAH113.2°109.5°
CAOCANH20108.6°109.4°
CAOCANH21108.6°109.5°
CANCAOH22109.3°109.5°
CANCAOH23109.3°109.4°
CANNAHCAG132.1°125.0°
NAHCANH20108.5°109.4°
NAHCANH21108.5°109.5°
NAHCAGCAK108.1°106.8°
NAHCAGCAE125.8°126.6°
CALCAKCAG125.3°127.2°
CAKCALH17109.5°109.5°
CAKCALH18109.5°109.5°
CAKCALH19109.5°109.4°
CAKCAGCAE126.0°126.6°
CAGCAECAF120.2°120.1°
CAGCAECAD120.6°120.2°
CAECAFCAA120.7°119.9°
CAFCAECAD119.2°119.7°
CAECAFH35119.6°120.0°
CAFCAACAB119.6°120.1°
CAFCAAH34120.2°120.0°
CAACAFH35119.7°120.1°
CAECADCAC120.2°119.8°
CAECADH31119.9°120.1°
CAACABCAC120.3°120.2°
CAACABH33119.9°119.9°
CABCAAH34120.2°119.9°
CADCACCAB120.0°120.2°
CACCADH31119.9°120.1°
CADCACH32120.0°119.9°
CABCACH32120.0°119.9°
CACCABH33119.8°119.9°
H1CAWH2109.5°109.5°
H4CBEH5109.5°109.4°
H6CAYH7109.4°109.5°
H9CBAH10109.4°109.5°
H11CBBH12109.5°109.4°
H14CBDH15109.4°109.5°
H17CALH18109.4°109.5°
H17CALH19109.5°109.5°
H18CALH19109.4°109.5°
H20CANH21109.5°109.4°
H22CAOH23109.5°109.5°
H24CAPH25109.5°109.5°
H26CAQH27109.5°109.5°
H28CARH29109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAXCAYCAZH6120.1°120.1°
CAXCAYCAZH7120.1°119.9°
CAYCAXCBECAW119.5°120.0°
CAYCAXCBEH3120.0°120.0°
CAYCAXCAWH3120.0°120.0°
CAYCAXCBECBC59.9°60.0°
CAXCAYCAZCBB59.3°60.0°
CAXCAYCAZCBA60.1°60.1°
CAYCAXCAWCAV60.8°60.0°
CAYCAXCAWH1179.2°180.0°
CAYCAXCAWH259.2°60.0°
CAYCAXCBEH460.2°60.0°
CAYCAXCBEH5180.0°180.0°
CAXCAYH6H7119.8°120.0°
CAXCAYCAZH8179.9°179.9°
CAZCAYCAXCBE59.2°60.0°
CAZCAYCAXCAW61.0°60.1°
CAYCAZCBBCBA119.1°120.0°
CAYCAZCBBH8120.7°120.0°
CAYCAZCBAH8120.0°120.0°
CAYCAZCBBCBC59.3°60.0°
CAYCAZCBACAV59.9°60.0°
CAZCAYCAXH3179.0°180.0°
CAZCAYH6H7119.8°120.0°
CAYCAZCBAH960.3°59.9°
CAYCAZCBAH10179.9°180.0°
CAYCAZCBBH11179.5°180.0°
CAYCAZCBBH1260.7°60.1°
CBECAXCAWH3120.5°120.0°
CAXCBECBCH4120.1°120.0°
CAXCBECBCH5120.1°120.0°
CBECAXCAWCAV58.7°60.0°
CAXCBECBCCBB59.8°60.0°
CAXCBECBCCBD59.6°60.0°
CBECAXCAWH161.3°60.0°
CBECAXCAWH2178.7°180.0°
CAXCBEH4H5119.6°120.0°
CBECAXCAYH6179.2°180.0°
CBECAXCAYH760.9°60.0°
CAXCBECBCH13180.0°180.0°
CAWCAXCBECBC59.6°60.0°
CAXCAWCAVH1120.0°120.0°
CAXCAWCAVH2120.0°120.1°
CAXCAWCAVCBA59.8°60.0°
CAXCAWCAVCBD58.5°59.9°
CAXCAWCAVNAT176.2°180.0°
CAXCAWH1H2120.0°120.0°
CAWCAXCBEH4179.8°180.0°
CAWCAXCBEH560.5°60.0°
CAWCAXCAYH659.1°60.0°
CAWCAXCAYH7178.9°180.0°
CBECBCCBBCAZ59.3°60.0°
CBECBCCBBCBD119.4°120.0°
CBECBCCBBH13120.2°120.0°
CBECBCCBDH13120.4°120.0°
CBECBCCBDCAV59.4°59.9°
CBCCBECAXH3179.9°180.0°
CBCCBEH4H5119.6°119.9°
CBECBCCBBH11179.5°180.0°
CBECBCCBBH1260.8°60.1°
CBECBCCBDH14179.4°180.0°
CBECBCCBDH1560.7°60.0°
CBBCAZCBAH8120.2°120.0°
CAZCBBCBCH11120.1°119.9°
CAZCBBCBCH12120.1°120.1°
CBBCAZCBACAV59.8°60.0°
CAZCBBCBCCBD60.1°60.0°
CBBCAZCAYH6179.3°180.0°
CBBCAZCAYH760.8°60.0°
CBBCAZCBAH9180.0°179.9°
CBBCAZCBAH1060.3°60.0°
CAZCBBH11H12119.7°120.0°
CAZCBBCBCH13179.6°180.0°
CAZCBACAVCAW59.8°60.0°
CBACAZCBBCBC59.7°60.0°
CAZCBACAVH9120.2°120.0°
CAZCBACAVH10120.2°120.0°
CAZCBACAVCBD59.3°60.0°
CAZCBACAVNAT179.9°180.0°
CBACAZCAYH659.9°60.0°
CBACAZCAYH7179.8°180.0°
CAZCBAH9H10119.5°120.0°
CBACAZCBBH1160.4°60.0°
CBACAZCBBH12179.8°179.9°
CAWCAVCBACBD119.1°120.0°
CAWCAVCBANAT120.0°120.0°
CAWCAVCBDCBC59.2°60.0°
CAWCAVCBDNAT124.9°120.0°
CAWCAVNATCAM66.8°179.9°
CAVCAWH1H2120.0°120.0°
CAVCAWCAXH3179.1°180.0°
CAWCAVCBAH960.3°60.0°
CAWCAVCBAH10179.9°180.0°
CAWCAVCBDH14179.3°180.0°
CAWCAVCBDH1560.9°60.0°
CAWCAVNATH16113.2°0.1°
CBBCBCCBDH13120.5°120.0°
CBBCBCCBDCAV59.8°60.0°
CBBCBCCBEH460.3°60.1°
CBBCBCCBEH5179.9°180.0°
CBCCBBCAZH8180.0°180.0°
CBCCBBH11H12119.6°120.0°
CBBCBCCBDH1460.3°60.0°
CBBCBCCBDH15179.9°180.0°
OASCARCAQH28120.1°120.0°
OASCARCAQH29120.1°120.0°
OASCARCAQCAP82.2°180.0°
OASCARCAQH26157.7°60.0°
OASCARCAQH2737.8°60.0°
OASCARH28H29119.8°120.0°
CARCAQCAPH26120.0°120.0°
CARCAQCAPH27120.0°120.0°
CARCAQCAPCAO164.8°180.0°
CARCAQCAPH2444.8°60.0°
CARCAQCAPH2575.2°60.0°
CARCAQH26H27120.0°119.9°
CAQCARH28H29119.7°119.9°
CAQCAROASH30180.0°180.0°
CBACAVCBDCBC59.0°60.0°
CBACAVCBDNAT116.9°120.0°
CBACAVNATCAM175.4°59.9°
CBACAVCAWH1179.8°180.0°
CBACAVCAWH260.3°60.0°
CAVCBACAZH8179.9°180.0°
CAVCBAH9H10119.4°120.0°
CBACAVCBDH1461.1°60.0°
CBACAVCBDH15179.1°180.0°
CBACAVNATH164.6°120.0°
CBCCBDCAVH14120.1°120.0°
CBCCBDCAVH15120.1°120.0°
CBCCBDCAVNAT175.9°180.0°
CBDCBCCBEH4179.8°180.0°
CBDCBCCBEH560.5°60.0°
CBDCBCCBBH1160.0°60.0°
CBDCBCCBBH12179.8°180.0°
CBCCBDH14H15119.8°120.0°
CBDCAVNATCAM57.1°60.0°
CBDCAVCAWH161.5°60.0°
CBDCAVCAWH2178.5°180.0°
CBDCAVCBAH9179.5°180.0°
CBDCAVCBAH1060.9°60.0°
CAVCBDCBCH13179.8°180.0°
CAVCBDH14H15119.8°119.9°
CBDCAVNATH16122.9°120.1°
CAVNATCAMH16180.0°179.9°
CAVNATCAMOAU2.6°0.1°
CAVNATCAMCAJ179.6°180.0°
NATCAVCAWH163.7°60.0°
NATCAVCAWH256.2°60.0°
NATCAVCBAH959.7°60.0°
NATCAVCBAH1059.9°60.0°
NATCAVCBDH1455.8°60.0°
NATCAVCBDH1564.0°60.0°
CAQCAPCAOH24120.0°120.0°
CAQCAPCAOH25120.0°120.0°
CAQCAPCAOCAN144.0°180.0°
CAQCAPCAOH2295.8°60.0°
CAQCAPCAOH2323.9°60.0°
CAQCAPH24H25120.0°120.0°
CAPCAQH26H27119.9°120.0°
CAPCAQCARH2837.9°60.0°
CAPCAQCARH29157.7°60.0°
NATCAMOAUCAJ177.6°179.9°
NATCAMCAJNAI8.2°0.2°
NATCAMCAJCAK171.6°180.0°
CAPCAOCANH22120.1°120.0°
CAPCAOCANH23120.1°120.0°
CAPCAOCANNAH89.6°180.0°
CAPCAOCANH20149.9°60.0°
CAPCAOCANH2131.0°59.9°
CAPCAOH22H23119.7°120.0°
CAOCAPH24H25119.9°120.0°
CAOCAPCAQH2675.2°60.0°
CAOCAPCAQH2744.8°60.0°
OAUCAMCAJNAI169.6°179.7°
OAUCAMCAJCAK10.5°0.1°
OAUCAMNATH16177.4°180.0°
CAMCAJNAICAK179.9°179.8°
CAMCAJNAINAH178.8°180.0°
CAMCAJCAKCAL0.1°0.1°
CAMCAJCAKCAG179.6°180.0°
CAJCAMNATH160.4°0.1°
CAJNAINAHCAN178.4°180.0°
CAJNAINAHCAG1.5°0.1°
NAICAJCAKCAL179.7°179.7°
NAICAJCAKCAG0.5°0.2°
NAHNAICAJCAK1.3°0.2°
NAINAHCANCAO108.9°90.0°
NAINAHCANCAG176.0°179.9°
NAINAHCAGCAK1.1°0.0°
NAINAHCAGCAE178.4°179.9°
NAINAHCANH20130.5°150.0°
NAINAHCANH2111.7°30.1°
CAJCAKCAGNAH0.3°0.2°
CAJCAKCALCAG179.7°180.0°
CAJCAKCAGCAE179.2°180.0°
CAJCAKCALH1789.9°89.9°
CAJCAKCALH18150.1°150.1°
CAJCAKCALH1930.2°30.1°
CAOCANNAHH20120.6°120.0°
CAOCANNAHH21120.6°120.1°
CAOCANNAHCAG75.1°90.1°
CAOCANH20H21118.3°120.0°
CANCAOH22H23119.7°120.0°
CANCAOCAPH2424.0°60.0°
CANCAOCAPH2595.9°60.0°
CANNAHCAGCAK177.5°179.9°
CANNAHCAGCAE2.1°0.0°
NAHCANH20H21118.3°120.0°
NAHCANCAOH2230.5°60.0°
NAHCANCAOH23150.3°60.0°
NAHCAGCAKCAL179.4°179.8°
NAHCAGCAKCAE179.5°179.9°
NAHCAGCAECAF83.3°45.1°
NAHCAGCAECAD96.1°135.1°
CAGNAHCANH2045.5°29.9°
CAGNAHCANH21164.3°149.8°
CALCAKCAGCAE1.0°0.1°
CAKCALH17H18120.0°120.0°
CAKCALH17H19120.0°120.0°
CAKCALH18H19120.0°119.9°
CAKCAGCAECAF97.3°134.7°
CAKCAGCAECAD83.4°45.0°
CAGCAKCALH1789.8°90.0°
CAGCAKCALH1830.1°30.0°
CAGCAKCALH19150.1°150.0°
CAGCAECAFCAD179.4°179.7°
CAGCAECAFCAA178.9°179.7°
CAGCAECADCAC179.6°180.0°
CAGCAECADH310.4°0.0°
CAGCAECAFH351.1°0.0°
CAECAFCAAH35180.0°179.7°
CAECAFCAACAB0.9°0.6°
CAFCAECADCAC0.3°0.2°
CAFCAECADH31179.7°179.7°
CAECAFCAAH34179.1°179.7°
CAACAFCAECAD0.5°0.6°
CAFCAACABH34180.0°179.7°
CAFCAACABCAC0.5°0.3°
CAFCAACABH33179.5°179.7°
CAECADCACH31180.0°180.0°
CAECADCACCAB0.6°0.1°
CAECADCACH32179.4°180.0°
CADCAECAFH35179.5°179.7°
CAACABCACCAD0.2°0.0°
CAACABCACH33180.0°180.0°
CAACABCACH32179.8°180.0°
CABCAACAFH35179.1°179.7°
CADCACCABH32180.0°180.0°
CADCACCABH33179.8°180.0°
CABCACCADH31179.4°180.0°
CACCABCAAH34179.5°180.0°
H1CAWCAXH359.1°60.0°
H2CAWCAXH360.9°60.0°
H3CAXCBEH459.7°60.0°
H3CAXCBEH560.0°59.9°
H3CAXCAYH660.9°59.9°
H3CAXCAYH758.9°60.1°
H4CBECBCH1359.9°59.9°
H5CBECBCH1359.9°60.0°
H6CAYCAZH860.0°60.0°
H7CAYCAZH859.8°60.0°
H8CAZCBAH959.7°60.0°
H8CAZCBAH1059.9°60.0°
H8CAZCBBH1159.9°60.0°
H8CAZCBBH1259.9°59.9°
H11CBBCBCH1360.3°60.1°
H12CBBCBCH1359.4°59.9°
H13CBCCBDH1460.2°60.0°
H13CBCCBDH1559.7°60.0°
H17CALH18H19120.0°120.0°
H20CANCAOH2290.0°180.0°
H20CANCAOH2329.8°60.0°
H21CANCAOH22151.1°60.1°
H21CANCAOH2389.1°180.0°
H22CAOCAPH24144.1°180.0°
H22CAOCAPH2524.2°60.0°
H23CAOCAPH2496.1°60.0°
H23CAOCAPH25144.0°180.0°
H24CAPCAQH26164.8°180.0°
H24CAPCAQH2775.2°60.0°
H25CAPCAQH2644.9°60.0°
H25CAPCAQH27164.8°NaN°
H26CAQCARH2882.2°180.0°
H26CAQCARH2937.6°60.0°
H27CAQCARH28157.9°60.0°
H27CAQCARH2982.3°180.0°
H28CAROASH3059.9°60.0°
H29CAROASH3059.9°60.0°
H31CADCACH320.6°0.0°
H32CACCABH330.2°0.0°
H33CABCAAH340.6°0.1°
H34CAACAFH350.9°0.0°

222624

PDB entries from 2024-07-17

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