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21I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAICAHsing1.54Å1.52Å
CAICAJsing1.54Å1.53Å
CAHCAKsing1.54Å1.52Å
CAKCAJsing1.54Å1.52Å
CAKNANsing1.47Å1.49Å
NANCAOsing1.35Å1.33ÅAromatic
NANNAMsing1.29Å1.34ÅAromatic
CAOCAPdoub1.35Å1.33ÅAromatic
NAMNALdoub1.29Å1.34ÅAromatic
CAPNALsing1.34Å1.33ÅAromatic
CAPCAQsing1.51Å1.53Å
CAQNARsing1.46Å1.47Å
NARCATsing1.35Å1.34Å
OASCATdoub1.22Å1.23Å
CATCAVsing1.48Å1.39Å
CAVCAWdoub1.39Å1.39ÅAromatic
CAVCBAsing1.40Å1.39ÅAromatic
CAWCAXsing1.39Å1.40ÅAromatic
CBACBBdoub1.39Å1.39ÅAromatic
CAXCAGsing1.48Å1.34Å
CAXCBCdoub1.39Å1.39ÅAromatic
NAZCAGdoub1.31Å1.33ÅAromatic
NAZNAYsing1.40Å1.34ÅAromatic
CBBCBCsing1.39Å1.39ÅAromatic
CBBNBDsing1.40Å1.34Å
CAGCADsing1.47Å1.34ÅAromatic
NBDCBEsing1.35Å1.35Å
NAYCAEsing1.37Å1.33ÅAromatic
CADCAEdoub1.41Å1.34ÅAromatic
CADCACsing1.40Å1.34ÅAromatic
CAECAFsing1.39Å1.33ÅAromatic
CBEOBGdoub1.21Å1.23Å
CBECBFsing1.51Å1.53Å
CBFCAUsing1.53Å1.53Å
CACCABdoub1.36Å1.39ÅAromatic
CAFCAAdoub1.37Å1.39ÅAromatic
CABCAAsing1.39Å1.39ÅAromatic
CAAH1sing1.08Å1.08Å
CABH2sing1.08Å1.08Å
CACH3sing1.08Å1.08Å
CAFH4sing1.08Å1.08Å
CAHH5sing1.09Å1.10Å
CAHH6sing1.09Å1.10Å
CAIH7sing1.09Å1.10Å
CAIH8sing1.09Å1.10Å
CAJH9sing1.09Å1.10Å
CAJH10sing1.09Å1.10Å
CAKH11sing1.09Å1.10Å
CAOH12sing1.08Å1.08Å
CAQH13sing1.09Å1.10Å
CAQH14sing1.09Å1.10Å
CAUH15sing1.09Å1.10Å
CAUH16sing1.09Å1.10Å
CAUH17sing1.09Å1.10Å
CAWH18sing1.08Å1.08Å
CBAH19sing1.08Å1.08Å
CBCH20sing1.08Å1.08Å
CBFH21sing1.09Å1.10Å
CBFH22sing1.09Å1.10Å
NARH23sing0.97Å1.00Å
NAYH24sing0.97Å1.00Å
NBDH25sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAHCAICAJ83.7°87.1°
CAICAHCAK83.3°87.1°
CAICAHH5115.6°113.6°
CAICAHH6115.6°113.7°
CAHCAIH7115.5°113.6°
CAHCAIH8115.4°113.6°
CAICAJCAK83.3°87.0°
CAJCAIH7115.5°113.6°
CAJCAIH8115.5°113.6°
CAICAJH9115.6°113.6°
CAICAJH10115.5°113.6°
CAHCAKCAJ84.2°87.1°
CAHCAKNAN112.5°113.6°
CAKCAHH5115.6°113.6°
CAKCAHH6115.6°113.5°
CAHCAKH11114.4°113.6°
CAJCAKNAN112.7°113.6°
CAKCAJH9115.6°113.6°
CAKCAJH10115.5°113.7°
CAJCAKH11114.4°113.6°
CAKNANCAO125.4°125.9°
CAKNANNAM126.3°125.9°
NANCAKH11115.0°112.9°
CAONANNAM108.3°108.3°
NANCAOCAP106.9°106.1°
NANCAOH12126.6°126.9°
NANNAMNAL108.2°110.2°
CAOCAPNAL110.4°106.5°
CAOCAPCAQ124.0°126.7°
CAPCAOH12126.6°126.9°
NAMNALCAP106.3°108.9°
NALCAPCAQ125.6°126.7°
CAPCAQNAR112.2°109.5°
CAPCAQH13108.8°109.5°
CAPCAQH14108.8°109.4°
CAQNARCAT120.5°120.0°
NARCAQH13108.8°109.5°
NARCAQH14108.8°109.4°
CAQNARH23119.7°120.0°
NARCATOAS123.1°120.0°
NARCATCAV116.7°120.0°
CATNARH23119.7°119.9°
OASCATCAV120.2°120.0°
CATCAVCAW122.3°120.0°
CATCAVCBA117.9°120.0°
CAWCAVCBA119.8°119.9°
CAVCAWCAX120.2°119.9°
CAVCAWH18119.9°120.1°
CAVCBACBB120.7°120.0°
CAVCBAH19119.7°120.0°
CAWCAXCAG119.1°120.0°
CAWCAXCBC118.9°119.9°
CAXCAWH18119.9°120.0°
CBACBBCBC119.1°120.2°
CBACBBNBD118.3°119.9°
CBBCBAH19119.7°120.0°
CAGCAXCBC121.9°120.1°
CAXCAGNAZ122.2°126.2°
CAXCAGCAD128.4°126.3°
CAXCBCCBB121.2°120.1°
CAXCBCH20119.4°119.9°
CAGNAZNAY107.1°110.0°
NAZCAGCAD109.4°107.5°
NAZNAYCAE108.5°109.3°
NAZNAYH24125.7°125.3°
CBCCBBNBD122.6°119.9°
CBBCBCH20119.4°120.0°
CBBNBDCBE121.4°120.0°
CBBNBDH25119.3°120.1°
CAGCADCAE106.6°106.3°
CAGCADCAC133.6°134.0°
NBDCBEOBG125.6°120.0°
NBDCBECBF113.8°120.0°
CBENBDH25119.3°120.0°
NAYCAECAD108.4°106.9°
NAYCAECAF130.3°133.7°
CAENAYH24125.8°125.4°
CAECADCAC119.8°119.7°
CADCAECAF121.4°119.4°
CADCACCAB121.4°119.7°
CADCACH3119.3°120.1°
CAECAFCAA121.0°119.8°
CAECAFH4119.5°120.1°
OBGCBECBF120.5°120.0°
CBECBFCAU115.5°109.5°
CBECBFH21107.9°109.5°
CBECBFH22107.9°109.5°
CBFCAUH15109.5°109.5°
CBFCAUH16109.4°109.5°
CBFCAUH17109.5°109.4°
CAUCBFH21107.9°109.4°
CAUCBFH22107.9°109.5°
CACCABCAA118.3°120.6°
CACCABH2120.8°119.7°
CABCACH3119.3°120.2°
CAFCAACAB118.0°120.8°
CAFCAAH1121.0°119.5°
CAACAFH4119.5°120.1°
CABCAAH1121.0°119.6°
CAACABH2120.8°119.7°
H5CAHH6109.5°112.8°
H7CAIH8109.4°112.9°
H9CAJH10109.5°112.9°
H13CAQH14109.5°109.5°
H15CAUH16109.5°109.5°
H15CAUH17109.5°109.4°
H16CAUH17109.5°109.5°
H21CBFH22109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAHCAICAJH7115.3°114.5°
CAHCAICAJH8115.2°114.6°
CAICAHCAKH5115.2°114.6°
CAICAHCAKH6115.2°114.7°
CAHCAICAJCAK36.8°25.4°
CAICAHCAKNAN149.1°139.9°
CAICAHH5H6132.6°131.3°
CAHCAIH7H8132.3°131.3°
CAHCAICAJH9151.9°139.9°
CAHCAICAJH1078.4°89.2°
CAICAHCAKH1177.3°89.1°
CAICAJCAKH9115.2°114.5°
CAICAJCAKH10115.2°114.5°
CAICAJCAKNAN148.8°140.0°
CAJCAICAHH578.5°89.2°
CAJCAICAHH6151.9°140.0°
CAJCAIH7H8132.3°131.2°
CAICAJH9H10132.5°131.2°
CAICAJCAKH1177.3°89.1°
CAHCAKCAJNAN111.9°114.5°
CAHCAKCAJH11114.2°114.6°
CAHCAKNANH11133.3°131.3°
CAHCAKNANCAO4.5°85.0°
CAHCAKNANNAM175.4°95.4°
CAKCAHH5H6132.6°131.1°
CAKCAHCAIH778.6°89.1°
CAKCAHCAIH8152.0°140.0°
CAHCAKCAJH9152.1°140.0°
CAHCAKCAJH1078.3°89.1°
CAJCAKNANH11133.6°131.2°
CAJCAKNANCAO97.6°12.5°
CAJCAKNANNAM82.3°167.1°
CAJCAKCAHH578.3°89.1°
CAJCAKCAHH6152.1°140.1°
CAKCAJCAIH778.5°89.1°
CAKCAJCAIH8152.0°140.0°
CAKCAJH9H10132.5°131.3°
CAKNANCAONAM179.9°179.6°
CAKNANCAOCAP179.8°180.0°
CAKNANNAMNAL179.9°180.0°
NANCAKCAHH533.9°25.3°
NANCAKCAHH695.8°105.4°
NANCAKCAJH996.0°105.5°
NANCAKCAJH1033.7°25.4°
CAKNANCAOH120.2°0.3°
NANCAOCAPH12180.0°179.7°
CAONANNAMNAL0.1°0.4°
NANCAOCAPNAL0.1°0.3°
NANCAOCAPCAQ179.8°179.8°
CAONANCAKH11128.9°143.7°
NAMNANCAOCAP0.0°0.4°
NANNAMNALCAP0.1°0.2°
NAMNANCAKH1151.3°35.8°
NAMNANCAOH12180.0°179.9°
CAOCAPNALNAM0.2°0.1°
CAOCAPNALCAQ179.7°180.0°
CAOCAPCAQNAR147.1°95.0°
CAOCAPCAQH1326.7°145.0°
CAOCAPCAQH1492.5°24.9°
NAMNALCAPCAQ179.8°180.0°
NALCAPCAQNAR33.2°85.0°
NALCAPCAOH12179.9°179.9°
NALCAPCAQH13153.6°35.0°
NALCAPCAQH1487.2°155.1°
CAPCAQNARH13120.4°120.0°
CAPCAQNARH14120.4°119.9°
CAPCAQNARCAT117.4°180.0°
CAQCAPCAOH120.2°0.1°
CAPCAQH13H14118.8°120.0°
CAPCAQNARH2362.6°0.0°
CAQNARCATH23180.0°180.0°
CAQNARCATOAS0.4°0.1°
CAQNARCATCAV177.8°180.0°
NARCAQH13H14118.7°120.0°
NARCATOASCAV178.1°179.9°
NARCATCAVCAW7.6°180.0°
NARCATCAVCBA171.5°0.3°
CATNARCAQH13122.2°60.0°
CATNARCAQH143.0°60.0°
OASCATCAVCAW174.2°0.1°
OASCATCAVCBA6.7°179.8°
OASCATNARH23179.6°180.0°
CATCAVCAWCBA179.1°179.7°
CATCAVCAWCAX179.2°180.0°
CATCAVCBACBB180.0°180.0°
CATCAVCAWH180.8°0.0°
CATCAVCBAH190.0°0.0°
CAVCATNARH232.2°0.1°
CAVCAWCAXH18180.0°180.0°
CAWCAVCBACBB0.9°0.3°
CAVCAWCAXCAG179.5°179.9°
CAVCAWCAXCBC0.4°0.0°
CAWCAVCBAH19179.1°179.7°
CBACAVCAWCAX0.1°0.3°
CAVCBACBBH19180.0°180.0°
CAVCBACBBCBC1.2°0.0°
CAVCBACBBNBD179.5°180.0°
CBACAVCAWH18179.9°179.7°
CAWCAXCAGCBC179.1°179.9°
CAWCAXCAGNAZ32.9°145.0°
CAWCAXCBCCBB0.1°0.3°
CAWCAXCAGCAD146.8°35.0°
CAWCAXCBCH20179.9°180.0°
CBACBBCBCCAX0.7°0.3°
CBACBBCBCNBD178.3°179.9°
CBACBBNBDCBE135.8°144.9°
CBACBBCBCH20179.3°180.0°
CBACBBNBDH2544.2°35.1°
CAXCAGNAZCAD179.7°180.0°
CAXCAGNAZNAY179.9°179.7°
CAGCAXCBCCBB179.2°179.8°
CAXCAGCADCAE179.8°180.0°
CAXCAGCADCAC0.1°0.4°
CAGCAXCAWH180.5°0.0°
CAGCAXCBCH200.8°0.1°
CBCCAXCAGNAZ146.2°35.1°
CAXCBCCBBH20180.0°179.7°
CAXCBCCBBNBD179.0°179.6°
CBCCAXCAGCAD34.1°144.9°
CBCCAXCAWH18179.6°180.0°
CAGNAZNAYCAE0.2°0.4°
NAZCAGCADCAE0.1°0.0°
NAZCAGCADCAC179.6°179.6°
CAGNAZNAYH24179.8°179.9°
NAYNAZCAGCAD0.2°0.2°
NAZNAYCAEH24180.0°179.7°
NAZNAYCAECAD0.1°0.4°
NAZNAYCAECAF179.9°179.8°
CBCCBBNBDCBE45.9°35.2°
CBCCBBCBAH19178.8°180.0°
CBCCBBNBDH25134.1°144.9°
CBBNBDCBEH25180.0°180.0°
CBBNBDCBEOBG0.7°4.6°
CBBNBDCBECBF180.0°175.4°
NBDCBBCBAH190.5°0.0°
NBDCBBCBCH201.0°0.0°
CAGCADCAENAY0.0°0.2°
CAGCADCAECAC179.7°179.7°
CAGCADCAECAF180.0°179.9°
CAGCADCACCAB179.9°179.6°
CAGCADCACH30.1°0.4°
NBDCBEOBGCBF179.3°180.0°
NBDCBECBFCAU179.8°180.0°
NBDCBECBFH2159.4°60.1°
NBDCBECBFH2258.9°60.0°
NAYCAECADCAF179.9°179.8°
NAYCAECADCAC179.8°179.9°
NAYCAECAFCAA180.0°179.8°
NAYCAECAFH40.0°0.2°
CAECADCACCAB0.4°0.0°
CADCAECAFCAA0.1°0.5°
CAECADCACH3179.6°180.0°
CADCAECAFH4180.0°180.0°
CADCAENAYH24179.9°179.9°
CACCADCAECAF0.3°0.2°
CADCACCABH3180.0°180.0°
CADCACCABCAA0.3°0.0°
CADCACCABH2179.7°179.9°
CAECAFCAAH4180.0°179.5°
CAECAFCAACAB0.0°0.5°
CAECAFCAAH1180.0°179.8°
CAFCAENAYH240.1°0.1°
OBGCBECBFCAU0.4°0.0°
OBGCBECBFH21121.3°120.0°
OBGCBECBFH22120.4°120.0°
OBGCBENBDH25179.3°175.4°
CBECBFCAUH21120.9°120.0°
CBECBFCAUH22120.8°120.1°
CBECBFCAUH15180.0°180.0°
CBECBFCAUH1660.0°59.9°
CBECBFCAUH1760.0°60.1°
CBECBFH21H22117.3°120.1°
CBFCBENBDH250.0°4.6°
CBFCAUH15H16120.0°120.1°
CBFCAUH15H17120.0°119.9°
CBFCAUH16H17120.0°120.0°
CAUCBFH21H22117.3°120.0°
CACCABCAACAF0.1°0.3°
CACCABCAAH2180.0°180.0°
CACCABCAAH1179.9°180.0°
CAFCAACABH1180.0°179.7°
CAFCAACABH2179.9°179.7°
CAACABCACH3179.7°179.9°
CABCAACAFH4180.0°180.0°
H1CAACABH20.1°0.0°
H1CAACAFH40.0°0.2°
H2CABCACH30.3°0.1°
H5CAHCAIH7166.3°156.3°
H5CAHCAIH836.8°25.4°
H5CAHCAKH11167.5°156.3°
H6CAHCAIH736.6°25.4°
H6CAHCAIH892.8°105.5°
H6CAHCAKH1137.9°25.6°
H7CAICAJH936.7°25.4°
H7CAICAJH10166.3°156.3°
H8CAICAJH992.8°105.5°
H8CAICAJH1036.8°25.4°
H9CAJCAKH1137.9°25.4°
H10CAJCAKH11167.5°156.3°
H13CAQNARH2357.8°120.0°
H14CAQNARH23177.0°119.9°
H15CAUH16H17120.0°119.9°
H15CAUCBFH2159.1°60.0°
H15CAUCBFH2259.2°59.9°
H16CAUCBFH21179.2°60.0°
H16CAUCBFH2260.9°180.0°
H17CAUCBFH2160.8°180.0°
H17CAUCBFH22179.1°60.0°

226262

PDB entries from 2024-10-16

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