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0I3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CANCADsing1.53Å1.51Å
CAKCADsing1.55Å1.50Å
OAYCAXdoub1.23Å1.21Å
OAZCADsing1.41Å1.37Å
OAZCAXsing1.31Å1.35Å
CADCAEsing1.50Å1.61Å
CAXCAWsing1.46Å1.39Å
CAWCAVdoub1.27Å1.36Å
CAECAFsing1.53Å1.52Å
CAECAAsing1.51Å1.58Å
CAFCAGsing1.51Å1.57Å
CBACAAsing1.53Å1.53Å
CAVCAAsing1.49Å1.39Å
CAACAIsing1.54Å1.54Å
CAGCAHsing1.51Å1.51Å
CAICAHsing1.53Å1.56Å
CAICAQsing1.55Å1.47Å
CBBCAOsing1.52Å1.49Å
CBBOAJsing1.47Å1.37Å
CAHCAOsing1.52Å1.51Å
CAHCACsing1.55Å1.58Å
CAQCAPsing1.56Å1.52Å
CAOCASsing1.53Å1.50Å
CAOCAPsing1.54Å1.54Å
OAJCBCsing1.35Å1.35Å
CACCAUsing1.53Å1.51Å
CASCBCsing1.50Å1.38Å
CASCATsing1.51Å1.55Å
CAPCARsing1.53Å1.51Å
CAPCALsing1.53Å1.42Å
CBCOBDdoub1.21Å1.22Å
CALCAUsing1.52Å1.34Å
CALOAMdoub1.21Å1.20Å
CAUCATsing1.55Å1.54Å
CAUCABsing1.53Å1.53Å
CABH1sing1.09Å1.10Å
CABH2sing1.09Å1.10Å
CABH3sing1.09Å1.10Å
CACH4sing1.09Å1.10Å
CACH5sing1.09Å1.10Å
CAEH6sing1.12Å1.10Å
CAFH7sing1.10Å1.10Å
CAFH8sing1.09Å1.10Å
CAGH9sing1.09Å1.10Å
CAGH10sing1.10Å1.10Å
CAIH11sing1.10Å1.10Å
CAKH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAKH14sing1.09Å1.10Å
CANH15sing1.09Å1.10Å
CANH16sing1.09Å1.10Å
CANH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CAQH19sing1.09Å1.10Å
CARH20sing1.09Å1.10Å
CARH21sing1.09Å1.10Å
CARH22sing1.09Å1.10Å
CASH23sing1.09Å1.10Å
CATH24sing1.09Å1.10Å
CATH25sing1.09Å1.10Å
CAVH26sing1.09Å1.08Å
CAWH27sing1.09Å1.08Å
CBAH28sing1.09Å1.10Å
CBAH29sing1.09Å1.10Å
CBAH30sing1.09Å1.10Å
CBBH31sing1.09Å1.10Å
CBBH32sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CANCADCAK109.0°105.3°
CANCADOAZ109.0°108.0°
CANCADCAE111.7°112.7°
CADCANH15109.5°109.5°
CADCANH16109.5°109.4°
CADCANH17109.5°109.5°
CAKCADOAZ103.5°104.3°
CAKCADCAE109.6°107.3°
CADCAKH12109.5°109.5°
CADCAKH13109.5°109.4°
CADCAKH14109.5°109.5°
OAYCAXOAZ111.2°118.8°
OAYCAXCAW115.5°117.7°
CADOAZCAX117.9°130.9°
OAZCADCAE113.7°118.1°
OAZCAXCAW132.8°123.5°
CADCAECAF109.7°110.1°
CADCAECAA118.3°118.3°
CADCAEH6106.2°105.0°
CAXCAWCAV131.0°131.1°
CAXCAWH27114.5°114.5°
CAWCAVCAA131.6°135.5°
CAWCAVH26114.2°112.5°
CAVCAWH27114.5°114.4°
CAFCAECAA108.2°111.7°
CAECAFCAG114.7°113.5°
CAFCAEH6107.2°105.5°
CAECAFH7108.1°109.6°
CAECAFH8108.1°110.8°
CAECAACBA110.8°112.5°
CAECAACAV116.9°114.3°
CAECAACAI109.1°109.9°
CAACAEH6106.6°105.1°
CAFCAGCAH115.8°115.0°
CAGCAFH7108.1°107.6°
CAGCAFH8108.1°107.8°
CAFCAGH9107.8°109.4°
CAFCAGH10107.9°107.9°
CBACAACAV105.4°108.1°
CBACAACAI107.3°107.0°
CAACBAH28109.5°109.4°
CAACBAH29109.5°109.5°
CAACBAH30109.5°109.5°
CAVCAACAI106.9°104.5°
CAACAVH26114.2°112.1°
CAACAICAH113.8°113.7°
CAACAICAQ112.7°108.3°
CAACAIH11108.9°109.0°
CAGCAHCAI114.0°114.1°
CAGCAHCAO112.1°114.7°
CAGCAHCAC112.5°108.4°
CAHCAGH9107.9°109.6°
CAHCAGH10107.9°108.2°
CAHCAICAQ103.0°106.4°
CAICAHCAO105.7°106.2°
CAICAHCAC106.4°107.3°
CAHCAIH11108.6°109.9°
CAICAQCAP102.0°103.4°
CAQCAIH11109.8°109.5°
CAICAQH18111.3°111.1°
CAICAQH19111.3°110.7°
CAOCBBOAJ102.6°103.7°
CBBCAOCAH121.0°118.7°
CBBCAOCAS104.0°100.3°
CBBCAOCAP112.9°110.8°
CAOCBBH31111.1°110.9°
CAOCBBH32111.1°111.7°
CBBOAJCBC108.5°110.7°
OAJCBBH31111.1°109.1°
OAJCBBH32111.1°110.8°
CAOCAHCAC105.4°105.7°
CAHCAOCAS108.5°110.9°
CAHCAOCAP95.0°102.4°
CAHCACCAU111.8°110.5°
CAHCACH4108.9°108.7°
CAHCACH5108.9°108.4°
CAQCAPCAO98.5°101.2°
CAQCAPCAR111.1°114.2°
CAQCAPCAL111.6°103.9°
CAPCAQH18111.3°110.2°
CAPCAQH19111.3°110.1°
CASCAOCAP115.8°114.2°
CAOCASCBC99.1°104.3°
CAOCASCAT106.9°112.1°
CAOCASH23110.9°106.8°
CAOCAPCAR114.6°116.4°
CAOCAPCAL111.9°105.4°
OAJCBCCAS114.5°108.3°
OAJCBCOBD122.9°126.0°
CACCAUCAL102.5°108.7°
CACCAUCAT108.3°108.3°
CACCAUCAB113.9°111.3°
CAUCACH4108.9°109.7°
CAUCACH5108.9°109.6°
CBCCASCAT116.1°118.7°
CASCBCOBD122.3°125.8°
CBCCASH23112.9°107.2°
CASCATCAU108.9°106.5°
CATCASH23110.2°107.1°
CASCATH24109.6°109.7°
CASCATH25109.6°109.9°
CARCAPCAL108.9°114.2°
CAPCARH20109.5°109.5°
CAPCARH21109.5°109.5°
CAPCARH22109.5°109.5°
CAPCALCAU116.3°114.3°
CAPCALOAM121.4°122.8°
CAUCALOAM122.2°122.9°
CALCAUCAT108.3°105.6°
CALCAUCAB113.2°111.4°
CATCAUCAB110.2°111.2°
CAUCATH24109.6°110.0°
CAUCATH25109.6°110.2°
CAUCABH1109.5°109.5°
CAUCABH2109.5°109.5°
CAUCABH3109.5°109.5°
H1CABH2109.5°109.5°
H1CABH3109.5°109.5°
H2CABH3109.5°109.5°
H4CACH5109.5°109.9°
H7CAFH8109.5°107.3°
H9CAGH10109.5°106.4°
H12CAKH13109.4°109.5°
H12CAKH14109.5°109.5°
H13CAKH14109.5°109.4°
H15CANH16109.4°109.5°
H15CANH17109.5°109.5°
H16CANH17109.4°109.5°
H18CAQH19109.5°111.2°
H20CARH21109.4°109.4°
H20CARH22109.5°109.5°
H21CARH22109.5°109.4°
H24CATH25109.4°110.4°
H28CBAH29109.5°109.4°
H28CBAH30109.5°109.5°
H29CBAH30109.5°109.5°
H31CBBH32109.5°110.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CANCADCAKOAZ115.9°113.6°
CANCADCAKCAE122.5°120.3°
CANCADOAZCAE125.3°129.3°
CANCADOAZCAX61.3°82.8°
CANCADCAECAF76.6°71.7°
CANCADCAECAA48.2°58.4°
CANCADCAEH6167.9°175.2°
CANCADCAKH12180.0°60.3°
CANCADCAKH1360.0°59.7°
CANCADCAKH1460.0°179.6°
CADCANH15H16120.0°119.9°
CADCANH15H17120.0°120.0°
CADCANH16H17120.0°120.0°
CAKCADOAZCAE118.9°119.0°
CAKCADOAZCAX177.1°165.5°
CAKCADCAECAF44.3°43.8°
CAKCADCAECAA169.1°173.9°
CAKCADCAEH671.3°69.3°
CADCAKH12H13120.0°120.0°
CADCAKH12H14120.0°120.1°
CADCAKH13H14120.0°120.0°
CAKCADCANH15180.0°174.8°
CAKCADCANH1660.0°54.8°
CAKCADCANH1760.0°65.2°
OAYCAXOAZCAD157.6°169.0°
OAYCAXOAZCAW171.7°179.6°
OAYCAXCAWCAV175.0°176.6°
OAYCAXCAWH275.0°3.0°
CADOAZCAXCAW30.7°10.6°
OAZCADCAECAF159.6°161.2°
OAZCADCAECAA75.6°68.7°
OAZCADCAEH644.0°48.1°
OAZCADCAKH1264.2°174.0°
OAZCADCAKH13175.9°53.9°
OAZCADCAKH1455.9°66.0°
OAZCADCANH1567.7°63.8°
OAZCADCANH1652.3°56.2°
OAZCADCANH17172.2°176.2°
CAXOAZCADCAE64.0°46.5°
OAZCAXCAWCAV3.6°3.8°
OAZCAXCAWH27176.4°176.6°
CADCAECAFCAA130.5°133.6°
CADCAECAFH6114.9°112.8°
CADCAECAAH6119.4°116.7°
CADCAECAFCAG165.0°164.9°
CADCAECAACBA76.4°74.4°
CADCAECAACAV44.3°49.4°
CADCAECAACAI165.7°166.6°
CADCAECAFH744.3°44.6°
CADCAECAFH874.2°73.6°
CAECADCAKH1257.5°60.0°
CAECADCAKH1362.5°180.0°
CAECADCAKH14177.5°60.1°
CAECADCANH1558.8°68.5°
CAECADCANH16178.7°171.5°
CAECADCANH1761.3°51.5°
CAXCAWCAVH27180.0°179.6°
CAXCAWCAVCAA0.6°0.7°
CAXCAWCAVH26179.3°179.5°
CAWCAVCAACAE11.9°15.7°
CAWCAVCAACBA111.7°110.4°
CAWCAVCAAH26180.0°179.9°
CAWCAVCAACAI134.4°135.9°
CAFCAECAAH6115.0°113.9°
CAECAFCAGH7120.7°121.5°
CAECAFCAGH8120.8°123.1°
CAFCAECAACBA49.2°55.0°
CAFCAECAACAV169.9°178.8°
CAFCAECAACAI68.7°64.0°
CAECAFCAGCAH21.0°25.3°
CAECAFH7H8117.6°120.4°
CAECAFCAGH999.9°98.5°
CAECAFCAGH10141.9°146.2°
CAACAECAFCAG34.6°31.3°
CAECAACBACAV127.4°127.2°
CAECAACBACAI118.9°120.8°
CAECAACAVCAI122.5°120.2°
CAECAACAICAH45.0°38.3°
CAECAACAICAQ71.7°79.7°
CAACAECAFH786.2°88.9°
CAACAECAFH8155.3°152.8°
CAECAACAIH11166.3°161.2°
CAECAACAVH26168.1°164.4°
CAECAACBAH28180.0°173.4°
CAECAACBAH2960.0°66.7°
CAECAACBAH3060.0°53.4°
CAFCAGCAHH9120.9°123.7°
CAFCAGCAHH10120.9°120.7°
CAFCAGCAHCAI45.3°50.7°
CAFCAGCAHCAO74.8°72.1°
CAFCAGCAHCAC166.6°170.1°
CAGCAFCAEH680.0°82.3°
CAGCAFH7H8117.6°115.8°
CAFCAGH9H10117.1°116.3°
CBACAACAVCAI114.0°113.7°
CBACAACAICAH75.0°84.2°
CBACAACAICAQ168.3°157.8°
CBACAACAEH6164.2°169.0°
CBACAACAIH1146.2°38.8°
CBACAACAVH2668.3°69.5°
CAACBAH28H29120.0°119.9°
CAACBAH28H30120.0°120.0°
CAACBAH29H30120.0°120.1°
CAVCAACAICAH172.3°161.4°
CAVCAACAICAQ55.6°43.4°
CAVCAACAEH675.1°67.3°
CAVCAACAIH1166.4°75.7°
CAACAVCAWH27179.4°179.7°
CAVCAACBAH2852.6°59.4°
CAVCAACBAH2967.4°60.5°
CAVCAACBAH30172.7°179.5°
CAACAICAHCAG10.7°17.1°
CAACAICAHCAQ122.3°119.1°
CAACAICAHH11121.4°122.5°
CAACAICAQH11121.5°118.8°
CAACAICAHCAO112.9°110.3°
CAACAICAHCAC135.3°137.1°
CAACAICAQCAP150.0°141.7°
CAICAACAEH646.3°49.9°
CAACAICAQH1831.2°23.5°
CAACAICAQH1991.2°100.5°
CAICAACAVH2645.6°44.2°
CAICAACBAH2861.1°52.6°
CAICAACBAH29178.9°172.5°
CAICAACBAH3059.0°67.4°
CAGCAHCAICAO123.7°127.4°
CAGCAHCAICAC124.6°120.0°
CAGCAHCAICAQ133.0°136.2°
CAGCAHCAOCBB44.7°38.2°
CAGCAHCAOCAC122.7°119.3°
CAGCAHCAOCAS75.4°77.1°
CAGCAHCAOCAP165.3°160.6°
CAGCAHCACCAU145.5°147.6°
CAGCAHCACH494.1°91.9°
CAGCAHCACH525.2°27.5°
CAHCAGCAFH7141.8°146.8°
CAHCAGCAFH899.7°97.8°
CAHCAGH9H10117.2°116.8°
CAGCAHCAIH11110.7°105.4°
CAHCAICAQH11115.5°118.7°
CAICAHCAOCBB80.1°88.8°
CAICAHCAOCAC112.5°113.7°
CAHCAICAQCAP27.0°19.1°
CAICAHCAOCAS159.8°155.9°
CAICAHCAOCAP40.5°33.6°
CAICAHCACCAU89.0°88.7°
CAICAHCACH431.4°31.7°
CAICAHCACH5150.7°151.2°
CAICAHCAGH975.6°73.0°
CAICAHCAGH10166.2°171.4°
CAHCAICAQH1891.8°99.0°
CAHCAICAQH19145.8°137.0°
CAQCAICAHCAO9.3°8.8°
CAQCAICAHCAC102.4°103.8°
CAICAQCAPH18118.8°118.8°
CAICAQCAPH19118.8°118.3°
CAICAQCAPCAO53.9°39.3°
CAICAQCAPCAR174.5°165.1°
CAICAQCAPCAL63.7°69.9°
CAICAQH18H19123.5°123.8°
CAOCBBOAJH31118.9°118.2°
CAOCBBOAJH32118.9°119.9°
CBBCAOCAHCAS120.0°115.3°
CBBCAOCAHCAP120.6°122.4°
CBBCAOCAHCAC167.4°157.5°
CBBCAOCAPCAQ70.0°82.7°
CBBCAOCASCAP124.6°118.6°
CAOCBBOAJCBC21.8°23.3°
CBBCAOCASCBC30.4°33.0°
CBBCAOCASCAT151.4°162.7°
CBBCAOCAPCAR48.0°41.6°
CBBCAOCAPCAL172.5°169.3°
CBBCAOCASH2388.4°80.2°
CAOCBBH31H32123.2°124.4°
OAJCBBCAOCAH154.9°154.6°
OAJCBBCAOCAS32.6°33.7°
OAJCBBCAOCAP93.7°87.3°
CBBOAJCBCCAS1.7°1.7°
CBBOAJCBCOBD175.6°178.4°
OAJCBBH31H32123.2°122.0°
CAHCAOCAPCAQ56.8°44.9°
CAHCAOCASCAP105.3°115.1°
CAOCAHCACCAU23.0°24.3°
CAHCAOCASCBC160.5°159.3°
CAHCAOCASCAT78.5°71.0°
CAHCAOCAPCAR174.8°169.2°
CAHCAOCAPCAL60.7°63.1°
CAOCAHCACH4143.4°144.7°
CAOCAHCACH597.3°95.8°
CAOCAHCAGH9164.3°164.2°
CAOCAHCAGH1046.1°48.5°
CAOCAHCAIH11125.7°127.3°
CAHCAOCASH2341.7°46.1°
CAHCAOCBBH3136.0°37.7°
CAHCAOCBBH3286.3°86.1°
CACCAHCAOCAS47.4°42.2°
CACCAHCAOCAP72.0°80.1°
CAHCACCAUH4120.4°119.8°
CAHCACCAUH5120.4°119.3°
CAHCACCAUCAL46.1°40.9°
CAHCACCAUCAT68.2°73.4°
CAHCACCAUCAB168.7°164.0°
CAHCACH4H5118.9°118.5°
CACCAHCAGH945.7°46.4°
CACCAHCAGH1072.5°69.2°
CACCAHCAIH1113.9°14.6°
CAQCAPCAOCAS170.2°164.8°
CAQCAPCAOCAR118.0°124.3°
CAQCAPCAOCAL117.5°108.0°
CAQCAPCARCAL123.4°119.4°
CAQCAPCALCAU119.5°110.2°
CAQCAPCALOAM57.6°69.9°
CAPCAQCAIH1188.5°99.6°
CAPCAQH18H19123.5°122.3°
CAQCAPCARH20180.0°57.3°
CAQCAPCARH2160.0°62.7°
CAQCAPCARH2260.0°177.3°
CAOCASCBCOAJ18.7°20.6°
CAOCASCBCCAT114.0°125.6°
CAOCASCBCH23117.3°113.0°
CAOCASCATH23120.6°116.8°
CASCAOCAPCAR71.8°70.9°
CASCAOCAPCAL52.7°56.9°
CAOCASCBCOBD155.3°159.3°
CAOCASCATCAU30.1°20.7°
CAOCASCATH24150.0°139.8°
CAOCASCATH2589.8°98.7°
CASCAOCBBH3186.2°83.2°
CASCAOCBBH32151.5°153.1°
CAPCAOCASCBC94.1°85.6°
CAPCAOCASCAT26.9°44.2°
CAOCAPCARCAL126.1°123.3°
CAOCAPCALCAU10.1°4.2°
CAOCAPCALOAM167.0°175.8°
CAOCAPCAQH1864.9°79.5°
CAOCAPCAQH19172.7°157.5°
CAOCAPCARH2069.4°60.0°
CAOCAPCARH2150.6°180.0°
CAOCAPCARH22170.6°60.0°
CAPCAOCASH23147.0°161.2°
CAPCAOCBBH31147.4°155.8°
CAPCAOCBBH3225.2°32.0°
OAJCBCCASOBD173.9°179.9°
OAJCBCCASCAT132.7°146.2°
OAJCBCCASH2398.7°92.4°
CBCOAJCBBH3197.1°94.9°
CBCOAJCBBH32140.6°143.2°
CACCAUCATCAS37.2°45.4°
CACCAUCALCAP65.3°58.1°
CACCAUCALCAT114.4°116.0°
CACCAUCALCAB123.1°123.1°
CACCAUCALOAM111.8°121.9°
CACCAUCATCAB125.2°122.7°
CACCAUCABH1180.0°60.0°
CACCAUCABH260.0°180.0°
CACCAUCABH360.0°60.1°
CAUCACH4H5118.9°120.6°
CACCAUCATH2482.7°73.5°
CACCAUCATH25157.1°164.6°
CBCCASCATH23129.9°121.4°
CBCCASCATCAU139.5°142.5°
CBCCASCATH24100.5°98.5°
CBCCASCATH2519.6°23.1°
CATCASCBCOBD41.3°33.7°
CASCATCAUCAL73.3°70.9°
CASCATCAUH24119.9°118.9°
CASCATCAUH25119.9°119.2°
CASCATCAUCAB162.4°168.1°
CASCATH24H25120.3°121.3°
CARCAPCALCAU117.5°124.8°
CARCAPCALOAM65.4°55.1°
CARCAPCAQH1855.7°46.3°
CARCAPCAQH1966.7°76.7°
CAPCARH20H21120.0°120.0°
CAPCARH20H22120.0°120.1°
CAPCARH21H22120.0°120.1°
CAPCALCAUOAM177.1°180.0°
CAPCALCAUCAT49.1°58.0°
CAPCALCAUCAB171.6°178.8°
CALCAPCAQH18177.5°171.3°
CALCAPCAQH1955.1°48.4°
CALCAPCARH2056.7°176.7°
CALCAPCARH21176.6°56.7°
CALCAPCARH2263.4°63.3°
OBDCBCCASH2387.4°87.7°
CALCAUCATCAB124.3°121.0°
CALCAUCABH163.5°178.5°
CALCAUCABH256.6°58.5°
CALCAUCABH3176.6°61.5°
CALCAUCACH474.2°79.0°
CALCAUCACH5166.5°160.2°
CALCAUCATH24166.8°170.2°
CALCAUCATH2546.7°48.2°
OAMCALCAUCAT133.8°122.0°
OAMCALCAUCAB11.3°1.1°
CATCAUCABH158.0°60.9°
CATCAUCABH2178.0°59.1°
CATCAUCABH362.0°179.1°
CATCAUCACH4171.4°166.7°
CATCAUCACH552.1°45.9°
CAUCATCASH2390.5°96.1°
CAUCATH24H25120.2°121.8°
CAUCABH1H2120.0°120.0°
CAUCABH1H3120.0°120.0°
CAUCABH2H3120.0°120.0°
CABCAUCACH448.4°44.1°
CABCAUCACH570.9°76.7°
CABCAUCATH2442.5°49.2°
CABCAUCATH2577.6°72.8°
H1CABH2H3120.0°120.0°
H6CAECAFH7159.2°157.4°
H6CAECAFH840.7°39.1°
H7CAFCAGH920.8°23.0°
H7CAFCAGH1097.3°92.4°
H8CAFCAGH9139.3°138.4°
H8CAFCAGH1021.2°23.1°
H11CAICAQH18152.7°142.3°
H11CAICAQH1930.3°18.3°
H12CAKH13H14120.0°120.0°
H15CANH16H17120.0°120.0°
H20CARH21H22120.0°119.9°
H23CASCATH2429.4°22.9°
H23CASCATH25149.6°144.5°
H26CAVCAWH270.7°0.2°
H28CBAH29H30120.0°120.0°

223790

PDB entries from 2024-08-14

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