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U40

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAKCAJdoub1.22Å1.23Å
CAJNALsing1.34Å1.36Å
CAJNAIsing1.35Å1.31Å
CAVCAUdoub1.39Å1.38ÅAromatic
CAVCAWsing1.36Å1.38ÅAromatic
NALCAMsing1.35Å1.31Å
NAICAFsing1.47Å1.34Å
CAUCATsing1.36Å1.40ÅAromatic
CAWCAXdoub1.40Å1.41ÅAromatic
CAMCAFsing1.51Å1.41Å
CAMOANdoub1.21Å1.22Å
CAFCAEsing1.53Å1.55Å
CAFCAGsing1.52Å1.45Å
CAHCAGsing1.53Å1.55Å
CAHNACsing1.47Å1.53Å
CATCASdoub1.41Å1.39ÅAromatic
CAECADsing1.53Å1.58Å
CAXCASsing1.42Å1.38ÅAromatic
CAXCAOsing1.46Å1.39ÅAromatic
NACCADsing1.47Å1.53Å
NACCABsing1.35Å1.40Å
OAACABdoub1.22Å1.22Å
CABCAOsing1.48Å1.41Å
CASNARsing1.33Å1.32ÅAromatic
CAOCAPdoub1.39Å1.36ÅAromatic
NARCAQdoub1.32Å1.33ÅAromatic
CAPCAQsing1.40Å1.39ÅAromatic
CAQCAYsing1.48Å1.41Å
CAYCAZdoub1.39Å1.37ÅAromatic
CAYCBDsing1.39Å1.40ÅAromatic
CAZCBAsing1.38Å1.36ÅAromatic
CBDCBCdoub1.38Å1.40ÅAromatic
CBACBBdoub1.38Å1.38ÅAromatic
CBCCBBsing1.38Å1.38ÅAromatic
CBBCBEsing1.51Å1.44Å
CBECBFsing1.53Å1.52Å
CBECBJsing1.53Å1.45Å
CBFCBGsing1.53Å1.58Å
CBJCBIsing1.53Å1.58Å
CBGCBHsing1.53Å1.49Å
CBICBHsing1.53Å1.50Å
NALH1sing0.97Å1.00Å
NAIH2sing0.97Å1.00Å
CAGH3sing1.09Å1.10Å
CAGH4sing1.09Å1.10Å
CAHH5sing1.09Å1.10Å
CAHH6sing1.09Å1.10Å
CAEH7sing1.09Å1.10Å
CAEH8sing1.09Å1.10Å
CADH9sing1.09Å1.10Å
CADH10sing1.09Å1.10Å
CAPH11sing1.08Å1.08Å
CAWH12sing1.08Å1.08Å
CAVH13sing1.08Å1.08Å
CAUH14sing1.08Å1.08Å
CATH15sing1.08Å1.08Å
CBDH16sing1.08Å1.08Å
CBCH17sing1.08Å1.08Å
CAZH18sing1.08Å1.08Å
CBAH19sing1.08Å1.08Å
CBEH20sing1.09Å1.10Å
CBFH21sing1.09Å1.10Å
CBFH22sing1.09Å1.10Å
CBGH23sing1.09Å1.10Å
CBGH24sing1.09Å1.10Å
CBHH25sing1.09Å1.10Å
CBHH26sing1.09Å1.10Å
CBIH27sing1.09Å1.10Å
CBIH28sing1.09Å1.10Å
CBJH29sing1.09Å1.10Å
CBJH30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAKCAJNAL128.9°123.8°
OAKCAJNAI117.4°123.8°
NALCAJNAI113.6°112.4°
CAJNALCAM106.4°111.6°
CAJNALH1126.8°124.2°
CAJNAICAF103.5°106.4°
CAJNAIH2128.2°126.8°
CAUCAVCAW117.6°120.8°
CAVCAUCAT121.7°121.1°
CAUCAVH13121.2°119.6°
CAVCAUH14119.2°119.4°
CAVCAWCAX121.8°119.6°
CAVCAWH12119.1°120.2°
CAWCAVH13121.2°119.6°
NALCAMCAF105.9°105.5°
NALCAMOAN119.7°127.2°
CAMNALH1126.8°124.2°
NAICAFCAM110.2°104.1°
NAICAFCAE90.2°110.6°
NAICAFCAG120.4°110.3°
CAFNAIH2128.2°126.9°
CAUCATCAS120.4°119.7°
CATCAUH14119.2°119.5°
CAUCATH15119.8°120.1°
CAWCAXCAS119.5°119.9°
CAWCAXCAO121.1°121.5°
CAXCAWH12119.1°120.2°
CAFCAMOAN133.9°127.2°
CAMCAFCAE98.8°110.4°
CAMCAFCAG127.2°110.4°
CAECAFCAG95.2°110.8°
CAFCAECAD114.4°109.4°
CAFCAEH7108.2°109.4°
CAFCAEH8108.2°109.5°
CAFCAGCAH106.8°109.4°
CAFCAGH3110.2°109.5°
CAFCAGH4110.1°109.5°
CAGCAHNAC98.9°108.7°
CAHCAGH3110.1°109.4°
CAHCAGH4110.2°109.5°
CAGCAHH5112.1°109.6°
CAGCAHH6112.0°109.6°
CAHNACCAD116.8°118.7°
CAHNACCAB119.2°120.7°
NACCAHH5112.0°109.6°
NACCAHH6112.1°109.6°
CATCASCAX119.1°118.9°
CATCASNAR118.6°121.1°
CASCATH15119.8°120.1°
CAECADNAC116.6°108.7°
CADCAEH7108.2°109.5°
CADCAEH8108.2°109.5°
CAECADH9107.6°109.6°
CAECADH10107.6°109.6°
CASCAXCAO119.5°118.7°
CAXCASNAR122.2°120.0°
CAXCAOCAB122.8°121.3°
CAXCAOCAP116.4°117.3°
CADNACCAB122.8°120.6°
NACCADH9107.7°109.6°
NACCADH10107.6°109.8°
NACCABOAA120.8°120.0°
NACCABCAO121.7°120.0°
OAACABCAO117.4°120.0°
CABCAOCAP120.8°121.4°
CASNARCAQ120.0°122.4°
CAOCAPCAQ122.2°119.4°
CAOCAPH11118.9°120.3°
NARCAQCAP119.6°122.3°
NARCAQCAY118.7°118.9°
CAPCAQCAY121.5°118.9°
CAQCAPH11118.9°120.3°
CAQCAYCAZ120.0°120.1°
CAQCAYCBD122.5°120.1°
CAZCAYCBD117.2°119.8°
CAYCAZCBA120.7°119.9°
CAYCAZH18119.6°120.1°
CAYCBDCBC121.8°119.8°
CAYCBDH16119.1°120.1°
CAZCBACBB123.4°120.1°
CBACAZH18119.7°120.0°
CAZCBAH19118.3°119.9°
CBDCBCCBB119.7°120.1°
CBCCBDH16119.1°120.1°
CBDCBCH17120.2°119.9°
CBACBBCBC117.0°120.3°
CBACBBCBE122.1°119.8°
CBBCBAH19118.3°120.0°
CBCCBBCBE120.7°119.8°
CBBCBCH17120.1°120.0°
CBBCBECBF112.2°109.5°
CBBCBECBJ112.2°109.4°
CBBCBEH20109.0°109.5°
CBFCBECBJ106.4°109.4°
CBECBFCBG107.0°109.4°
CBFCBEH20107.9°109.5°
CBECBFH21110.1°109.5°
CBECBFH22110.1°109.4°
CBECBJCBI111.1°109.5°
CBJCBEH20109.0°109.5°
CBECBJH29109.1°109.4°
CBECBJH30109.0°109.5°
CBFCBGCBH112.6°109.5°
CBGCBFH21110.1°109.5°
CBGCBFH22110.1°109.5°
CBFCBGH23108.7°109.4°
CBFCBGH24108.7°109.5°
CBJCBICBH112.7°109.5°
CBJCBIH27108.7°109.5°
CBJCBIH28108.6°109.5°
CBICBJH29109.1°109.4°
CBICBJH30109.1°109.5°
CBGCBHCBI108.0°109.5°
CBHCBGH23108.7°109.4°
CBHCBGH24108.7°109.5°
CBGCBHH25109.8°109.5°
CBGCBHH26109.8°109.5°
CBICBHH25109.9°109.4°
CBICBHH26109.9°109.5°
CBHCBIH27108.7°109.4°
CBHCBIH28108.6°109.4°
H3CAGH4109.4°109.5°
H5CAHH6109.5°109.7°
H7CAEH8109.4°109.5°
H9CADH10109.5°109.6°
H21CBFH22109.5°109.5°
H23CBGH24109.5°109.5°
H25CBHH26109.5°109.5°
H27CBIH28109.5°109.5°
H29CBJH30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAKCAJNALNAI175.9°180.0°
OAKCAJNALCAM180.0°180.0°
OAKCAJNAICAF177.4°180.0°
OAKCAJNALH10.0°0.0°
OAKCAJNAIH22.6°0.1°
CAJNALCAMH1180.0°180.0°
NALCAJNAICAF1.0°0.0°
CAJNALCAMCAF5.2°0.0°
CAJNALCAMOAN177.9°179.8°
NALCAJNAIH2179.0°179.9°
NAICAJNALCAM4.2°0.1°
CAJNAICAFH2180.0°180.0°
CAJNAICAFCAM2.3°0.0°
CAJNAICAFCAE101.8°118.6°
CAJNAICAFCAG162.1°118.4°
NAICAJNALH1175.8°180.0°
CAUCAVCAWH13180.0°180.0°
CAVCAUCATH14180.0°179.9°
CAUCAVCAWCAX0.1°0.0°
CAVCAUCATCAS0.9°0.0°
CAUCAVCAWH12179.9°180.0°
CAVCAUCATH15179.1°180.0°
CAWCAVCAUCAT0.5°0.0°
CAVCAWCAXH12180.0°180.0°
CAVCAWCAXCAS0.2°0.0°
CAVCAWCAXCAO180.0°180.0°
CAWCAVCAUH14179.5°180.0°
NALCAMCAFNAI4.9°0.0°
NALCAMCAFOAN171.2°179.8°
NALCAMCAFCAE98.4°118.7°
NALCAMCAFCAG158.2°118.4°
NAICAFCAMCAE93.5°118.7°
NAICAFCAMCAG163.1°118.4°
NAICAFCAMOAN176.1°179.8°
NAICAFCAECAG120.5°122.7°
NAICAFCAGCAH3.4°63.0°
NAICAFCAECAD67.3°62.8°
NAICAFCAGH3116.2°57.0°
NAICAFCAGH4123.0°177.0°
NAICAFCAEH7172.0°177.2°
NAICAFCAEH853.4°57.2°
CAUCATCASH15180.0°180.0°
CAUCATCASCAX1.0°0.0°
CAUCATCASNAR179.3°180.0°
CATCAUCAVH13179.5°180.0°
CAWCAXCASCAT0.6°0.0°
CAWCAXCASCAO179.8°179.9°
CAWCAXCAOCAB3.0°0.0°
CAWCAXCASNAR178.8°180.0°
CAWCAXCAOCAP179.5°179.7°
CAXCAWCAVH13179.9°180.0°
CAMCAFCAECAG129.0°122.6°
CAMCAFCAGCAH164.9°177.4°
CAMCAFCAECAD177.8°177.4°
CAFCAMNALH1174.8°180.0°
CAMCAFNAIH2177.7°180.0°
CAMCAFCAGH345.3°57.5°
CAMCAFCAGH475.5°62.5°
CAMCAFCAEH761.4°62.6°
CAMCAFCAEH857.1°57.4°
OANCAMCAFCAE90.4°61.5°
OANCAMCAFCAG13.0°61.4°
OANCAMNALH12.1°0.2°
CAECAFCAGCAH89.9°60.0°
CAFCAECADH7120.7°119.9°
CAFCAECADH8120.7°120.0°
CAFCAECADNAC23.0°53.8°
CAECAFNAIH278.2°61.4°
CAECAFCAGH3150.5°179.9°
CAECAFCAGH429.7°60.1°
CAFCAEH7H8117.8°120.0°
CAFCAECADH9144.0°173.5°
CAFCAECADH1098.0°66.2°
CAFCAGCAHH3119.6°120.0°
CAFCAGCAHH4119.6°120.1°
CAFCAGCAHNAC85.1°53.9°
CAGCAFCAECAD53.2°59.9°
CAGCAFNAIH217.9°61.6°
CAFCAGH3H4121.2°120.1°
CAFCAGCAHH533.1°66.0°
CAFCAGCAHH6156.6°173.6°
CAGCAFCAEH767.5°60.0°
CAGCAFCAEH8173.9°179.9°
CAGCAHNACH5118.3°119.8°
CAGCAHNACH6118.2°119.8°
CAGCAHNACCAD41.0°54.2°
CAGCAHNACCAB151.0°125.8°
CAHCAGH3H4121.3°120.0°
CAGCAHH5H6124.9°120.4°
CAHNACCADCAE17.5°54.2°
CAHNACCADCAB167.5°180.0°
CAHNACCABOAA3.9°4.0°
CAHNACCABCAO173.0°176.1°
NACCAHCAGH3155.3°173.8°
NACCAHCAGH434.4°66.2°
NACCAHH5H6125.0°120.4°
CAHNACCADH9138.5°173.9°
CAHNACCADH10103.5°65.7°
CATCASCAXNAR178.2°180.0°
CATCASCAXCAO179.6°180.0°
CATCASNARCAQ179.2°179.7°
CASCATCAUH14179.1°180.0°
CAECADNACH9121.0°119.7°
CAECADNACH10121.0°119.9°
CAECADNACCAB175.0°125.9°
CADCAEH7H8117.8°120.0°
CAECADH9H10116.7°120.3°
CASCAXCAOCAB177.2°180.0°
CASCAXCAOCAP0.3°0.3°
CAXCASNARCAQ1.0°0.3°
CASCAXCAWH12179.8°180.0°
CAXCASCATH15179.0°180.0°
CAXCAOCABNAC68.3°126.9°
CAXCAOCABOAA108.7°53.2°
CAXCAOCABCAP177.4°179.7°
CAOCAXCASNAR1.4°0.1°
CAXCAOCAPCAQ2.3°0.3°
CAXCAOCAPH11177.7°179.7°
CAOCAXCAWH120.0°0.1°
CADNACCABOAA171.1°176.0°
CADNACCABCAO5.8°4.0°
CADNACCAHH577.2°65.6°
CADNACCAHH6159.2°174.0°
NACCADCAEH797.7°66.1°
NACCADCAEH8143.7°173.8°
NACCADH9H10116.8°120.5°
NACCABOAACAO177.0°179.9°
NACCABCAOCAP109.1°53.4°
CABNACCAHH590.8°114.3°
CABNACCAHH632.8°6.1°
CABNACCADH954.0°6.1°
CABNACCADH1064.0°114.3°
OAACABCAOCAP73.9°126.5°
CABCAOCAPCAQ175.3°180.0°
CABCAOCAPH114.8°0.1°
CASNARCAQCAP1.0°0.3°
CASNARCAQCAY176.8°179.8°
NARCASCATH150.7°0.0°
CAOCAPCAQNAR2.7°0.0°
CAOCAPCAQH11180.0°180.0°
CAOCAPCAQCAY178.4°179.9°
NARCAQCAPCAY175.7°179.9°
NARCAQCAYCAZ27.1°0.1°
NARCAQCAYCBD147.3°179.8°
NARCAQCAPH11177.2°180.0°
CAPCAQCAYCAZ157.2°180.0°
CAPCAQCAYCBD28.5°0.3°
CAQCAYCAZCBD174.6°179.7°
CAQCAYCAZCBA177.2°180.0°
CAQCAYCBDCBC177.8°180.0°
CAYCAQCAPH111.6°0.0°
CAQCAYCBDH162.2°0.0°
CAQCAYCAZH182.8°0.0°
CAYCAZCBAH18180.0°180.0°
CAZCAYCBDCBC3.3°0.3°
CAYCAZCBACBB0.9°0.0°
CAZCAYCBDH16176.7°179.8°
CAYCAZCBAH19179.2°180.0°
CBDCAYCAZCBA2.6°0.3°
CAYCBDCBCH16180.0°180.0°
CAYCBDCBCCBB0.6°0.0°
CAYCBDCBCH17179.4°180.0°
CBDCAYCAZH18177.4°179.7°
CAZCBACBBH19180.0°180.0°
CAZCBACBBCBC3.5°0.2°
CAZCBACBBCBE179.2°180.0°
CBDCBCCBBCBA2.7°0.2°
CBDCBCCBBH17180.0°179.9°
CBDCBCCBBCBE178.4°180.0°
CBACBBCBCCBE175.7°179.8°
CBACBBCBECBF23.5°60.2°
CBACBBCBECBJ96.2°59.7°
CBACBBCBCH17177.3°179.7°
CBBCBACAZH18179.1°180.0°
CBACBBCBEH20143.0°179.8°
CBCCBBCBECBF152.0°120.0°
CBCCBBCBECBJ88.3°120.1°
CBBCBCCBDH16179.4°180.0°
CBCCBBCBAH19176.5°179.8°
CBCCBBCBEH2032.5°0.0°
CBBCBECBFCBJ123.0°120.0°
CBBCBECBFH20120.1°120.0°
CBBCBECBJH20120.8°120.1°
CBBCBECBFCBG162.7°180.0°
CBBCBECBJCBI164.2°180.0°
CBECBBCBCH171.6°0.0°
CBECBBCBAH190.8°0.0°
CBBCBECBFH2177.7°60.0°
CBBCBECBFH2243.1°60.1°
CBBCBECBJH2975.5°60.0°
CBBCBECBJH3044.0°60.0°
CBFCBECBJH20116.2°120.0°
CBECBFCBGH21119.6°120.0°
CBECBFCBGH22119.6°119.9°
CBFCBECBJCBI41.2°60.0°
CBECBFCBGCBH36.5°60.1°
CBECBFH21H22121.1°120.0°
CBECBFCBGH23156.9°180.0°
CBECBFCBGH2484.0°59.9°
CBFCBECBJH29161.5°180.0°
CBFCBECBJH3079.0°60.0°
CBJCBECBFCBG74.3°60.1°
CBECBJCBIH29120.3°120.0°
CBECBJCBIH30120.2°120.0°
CBECBJCBICBH25.7°60.0°
CBJCBECBFH2145.3°59.9°
CBJCBECBFH22166.1°180.0°
CBECBJCBIH27146.3°180.0°
CBECBJCBIH2894.7°59.9°
CBECBJH29H30119.2°120.0°
CBFCBGCBHH23120.4°119.9°
CBFCBGCBHH24120.5°120.0°
CBFCBGCBHCBI28.2°60.0°
CBGCBFCBEH2042.5°59.9°
CBGCBFH21H22121.1°120.0°
CBFCBGH23H24118.6°120.0°
CBFCBGCBHH25148.0°59.9°
CBFCBGCBHH2691.6°180.0°
CBJCBICBHCBG62.4°60.0°
CBJCBICBHH27120.5°120.0°
CBJCBICBHH28120.5°120.0°
CBICBJCBEH2075.0°59.9°
CBJCBICBHH25177.8°60.0°
CBJCBICBHH2657.4°180.0°
CBJCBIH27H28118.5°120.0°
CBICBJH29H30119.2°120.0°
CBGCBHCBIH25119.8°120.0°
CBGCBHCBIH26119.8°120.0°
CBHCBGCBFH2183.1°60.0°
CBHCBGCBFH22156.1°180.0°
CBHCBGH23H24118.6°120.0°
CBGCBHH25H26120.7°120.0°
CBGCBHCBIH27177.1°180.0°
CBGCBHCBIH2858.1°60.0°
CBICBHCBGH2392.2°180.0°
CBICBHCBGH24148.7°60.0°
CBICBHH25H26120.7°120.0°
CBHCBIH27H28118.5°120.0°
CBHCBICBJH2994.5°180.0°
CBHCBICBJH30146.0°60.0°
H3CAGCAHH586.5°54.0°
H3CAGCAHH637.0°66.4°
H4CAGCAHH5152.7°174.0°
H4CAGCAHH683.8°53.6°
H7CAECADH923.3°53.6°
H7CAECADH10141.3°173.9°
H8CAECADH995.2°66.4°
H8CAECADH1022.7°53.8°
H12CAWCAVH130.1°0.0°
H13CAVCAUH140.4°0.0°
H14CAUCATH150.9°0.0°
H16CBDCBCH170.6°0.0°
H18CAZCBAH190.8°0.0°
H20CBECBFH21162.1°179.9°
H20CBECBFH2277.1°60.0°
H20CBECBJH2945.3°60.0°
H20CBECBJH30164.8°180.0°
H21CBFCBGH2337.3°60.0°
H21CBFCBGH24156.4°180.0°
H22CBFCBGH2383.5°60.1°
H22CBFCBGH2435.6°60.0°
H23CBGCBHH2527.6°60.0°
H23CBGCBHH26148.0°60.1°
H24CBGCBHH2591.5°179.9°
H24CBGCBHH2628.9°60.0°
H25CBHCBIH2757.3°60.0°
H25CBHCBIH2861.7°179.9°
H26CBHCBIH2763.2°60.0°
H26CBHCBIH28177.8°60.0°
H27CBICBJH2926.0°60.1°
H27CBICBJH3093.5°60.0°
H28CBICBJH29145.0°60.0°
H28CBICBJH3025.5°180.0°

224931

PDB entries from 2024-09-11

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