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4ST

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CABOAQsing1.43Å1.46Å
CABHAB1sing1.09Å1.12Å
CABHAB2sing1.09Å1.11Å
CABHAB3sing1.09Å1.11Å
OAQCBFsing1.43Å1.46Å
CBFCBDsing1.53Å1.48Å
CBFCBIsing1.52Å1.56Å
CBFHBFsing1.09Å1.11Å
CBDNAOsing1.47Å1.46Å
CBDCANsing1.53Å1.50Å
CBDHBDsing1.09Å1.12Å
NAOCAAsing1.47Å1.48Å
NAOHNOsing1.01Å1.02Å
CAAHAA1sing1.09Å1.11Å
CAAHAA2sing1.09Å1.12Å
CAAHAA3sing1.09Å1.12Å
CANCBEsing1.52Å1.52Å
CANHAN1sing1.09Å1.11Å
CANHAN2sing1.09Å1.12Å
CBEOARsing1.40Å1.45Å
CBENBGsing1.46Å1.47Å
CBEHBEsing1.09Å1.11Å
OARCBIsing1.40Å1.39Å
CBICACsing1.53Å1.54Å
CBINBHsing1.46Å1.50Å
CACHAC1sing1.09Å1.11Å
CACHAC2sing1.09Å1.12Å
CACHAC3sing1.09Å1.12Å
NBHCAYsing1.38Å1.40ÅAromatic
NBHCBCsing1.39Å1.39ÅAromatic
CAYCAHdoub1.39Å1.44ÅAromatic
CAYCAXsing1.41Å1.40ÅAromatic
CAHCAFsing1.39Å1.45ÅAromatic
CAHHAHsing1.08Å1.10Å
CAFCAEdoub1.38Å1.43ÅAromatic
CAFHAFsing1.08Å1.10Å
CAECAGsing1.39Å1.42ÅAromatic
CAEHAEsing1.08Å1.10Å
CAGCAXdoub1.39Å1.45ÅAromatic
CAGHAGsing1.08Å1.10Å
CAXCBAsing1.46Å1.36ÅAromatic
CBACBCdoub1.40Å1.45ÅAromatic
CBACAUsing1.39Å1.49ÅAromatic
CBCCBBsing1.40Å1.48ÅAromatic
CBBNBGsing1.34Å1.39ÅAromatic
CBBCAZdoub1.40Å1.42ÅAromatic
NBGCAVsing1.38Å1.39ÅAromatic
CAVCALsing1.51Å1.48Å
CAVCATdoub1.35Å1.43ÅAromatic
CALCAJsing1.53Å1.53Å
CALHAL1sing1.09Å1.12Å
CALHAL2sing1.09Å1.11Å
CAJCAIsing1.53Å1.53Å
CAJHAJ1sing1.09Å1.11Å
CAJHAJ2sing1.09Å1.11Å
CAICAKsing1.53Å1.53Å
CAIHAI1sing1.09Å1.12Å
CAIHAI2sing1.09Å1.11Å
CAKCATsing1.51Å1.55Å
CAKHAK1sing1.09Å1.12Å
CAKHAK2sing1.09Å1.12Å
CATCAZsing1.41Å1.40ÅAromatic
CAZCAWsing1.46Å1.41ÅAromatic
CAWCAUdoub1.39Å1.41ÅAromatic
CAWCASsing1.47Å1.44Å
CAUCAMsing1.51Å1.50Å
CAMNAPsing1.47Å1.49Å
CAMHAM1sing1.09Å1.11Å
CAMHAM2sing1.09Å1.11Å
NAPCASsing1.34Å1.37Å
NAPHAPsing0.97Å1.02Å
CASOADdoub1.22Å1.22Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAQCABHAB1109.8°109.5°
OAQCABHAB2116.3°109.5°
OAQCABHAB3109.7°109.5°
CABOAQCBF116.2°106.8°
HAB1CABHAB2109.8°109.5°
HAB1CABHAB3100.4°109.5°
HAB2CABHAB3109.8°109.4°
OAQCBFCBD105.4°108.5°
OAQCBFCBI115.0°109.5°
OAQCBFHBF106.7°109.5°
CBDCBFCBI102.7°108.7°
CBDCBFHBF118.3°111.2°
CBFCBDNAO108.2°109.8°
CBFCBDCAN109.2°107.8°
CBFCBDHBD111.0°109.8°
CBICBFHBF109.2°109.5°
CBFCBIOAR117.5°113.5°
CBFCBICAC107.1°104.7°
CBFCBINBH105.8°111.8°
NAOCBDCAN111.1°109.8°
NAOCBDHBD109.1°109.8°
CBDNAOCAA120.0°106.7°
CBDNAOHNO108.5°106.7°
CANCBDHBD108.1°109.8°
CBDCANCBE112.3°109.5°
CBDCANHAN1111.2°109.4°
CBDCANHAN2111.2°109.5°
CAANAOHNO108.4°106.7°
NAOCAAHAA1108.5°109.5°
NAOCAAHAA2120.0°109.4°
NAOCAAHAA3108.5°109.5°
HAA1CAAHAA2108.4°109.4°
HAA1CAAHAA3101.5°109.6°
HAA2CAAHAA3108.4°109.5°
CBECANHAN1111.2°109.5°
CBECANHAN2111.2°109.5°
CANCBEOAR110.1°113.9°
CANCBENBG115.1°111.4°
CANCBEHBE104.6°105.9°
HAN1CANHAN299.1°109.4°
OARCBENBG108.2°113.1°
OARCBEHBE112.0°106.0°
CBEOARCBI118.3°117.0°
NBGCBEHBE106.7°105.9°
CBENBGCBB133.7°125.7°
CBENBGCAV123.7°125.3°
OARCBICAC97.3°105.8°
OARCBINBH109.4°114.5°
CACCBINBH120.4°105.6°
CBICACHAC1113.1°109.4°
CBICACHAC2107.1°109.5°
CBICACHAC3113.1°109.5°
CBINBHCAY127.3°127.2°
CBINBHCBC128.4°124.1°
HAC1CACHAC2113.1°109.5°
HAC1CACHAC397.3°109.4°
HAC2CACHAC3113.1°109.4°
CAYNBHCBC104.3°108.7°
NBHCAYCAH131.9°130.5°
NBHCAYCAX109.4°108.9°
NBHCBCCBA111.9°110.1°
NBHCBCCBB126.9°129.3°
CAHCAYCAX118.8°120.5°
CAYCAHCAF118.5°117.2°
CAYCAHHAH120.4°121.5°
CAYCAXCAG122.2°121.5°
CAYCAXCBA111.0°106.8°
CAFCAHHAH121.0°121.4°
CAHCAFCAE123.2°122.2°
CAHCAFHAF119.0°118.9°
CAECAFHAF117.8°118.9°
CAFCAECAG116.8°121.8°
CAFCAEHAE121.8°119.1°
CAGCAEHAE121.4°119.1°
CAECAGCAX120.5°116.8°
CAECAGHAG119.0°121.6°
CAXCAGHAG120.5°121.5°
CAGCAXCBA126.8°131.7°
CAXCBACBC103.5°105.4°
CAXCBACAU139.2°134.7°
CBCCBACAU117.3°120.0°
CBACBCCBB121.2°120.6°
CBACAUCAW120.6°121.0°
CBACAUCAM129.0°132.7°
CBCCBBNBG124.9°130.6°
CBCCBBCAZ117.4°120.8°
NBGCBBCAZ117.7°108.6°
CBBNBGCAV102.5°109.0°
CBBCAZCAT98.8°106.0°
CBBCAZCAW122.9°118.5°
NBGCAVCAL126.0°128.1°
NBGCAVCAT108.2°108.1°
CALCAVCAT123.6°123.8°
CAVCALCAJ107.6°108.6°
CAVCALHAL1112.9°109.7°
CAVCALHAL2112.9°109.6°
CAVCATCAK120.8°124.3°
CAVCATCAZ112.8°108.3°
CAJCALHAL1112.9°109.7°
CAJCALHAL2112.9°109.6°
CALCAJCAI111.2°109.4°
CALCAJHAJ1111.6°109.4°
CALCAJHAJ2111.6°109.4°
HAL1CALHAL297.6°109.8°
CAICAJHAJ1111.6°109.5°
CAICAJHAJ2111.5°109.5°
CAJCAICAK112.3°109.4°
CAJCAIHAI1111.1°109.5°
CAJCAIHAI2111.2°109.5°
HAJ1CAJHAJ298.8°109.5°
CAKCAIHAI1111.1°109.5°
CAKCAIHAI2111.2°109.5°
CAICAKCAT111.4°108.6°
CAICAKHAK1111.5°109.6°
CAICAKHAK2111.5°109.6°
HAI1CAIHAI299.2°109.6°
CATCAKHAK1111.5°109.6°
CATCAKHAK2111.5°109.6°
CAKCATCAZ126.4°127.5°
HAK1CAKHAK298.9°109.8°
CATCAZCAW138.3°135.5°
CAZCAWCAU120.6°119.1°
CAZCAWCAS131.8°132.4°
CAUCAWCAS107.6°108.5°
CAWCAUCAM110.3°106.3°
CAWCASNAP108.1°110.5°
CAWCASOAD125.2°124.8°
CAUCAMNAP100.0°106.2°
CAUCAMHAM1115.8°110.1°
CAUCAMHAM2115.8°110.1°
NAPCAMHAM1115.8°110.1°
NAPCAMHAM2115.8°110.1°
CAMNAPCAS111.7°108.5°
CAMNAPHAP127.6°125.7°
HAM1CAMHAM294.6°110.1°
CASNAPHAP120.7°125.8°
NAPCASOAD126.7°124.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAQCABHAB1HAB2128.9°120.0°
OAQCABHAB1HAB3115.5°120.0°
OAQCABHAB2HAB3125.3°120.0°
CABOAQCBFCBD148.2°91.6°
CABOAQCBFCBI99.6°150.0°
CABOAQCBFHBF21.7°30.0°
HAB1CABHAB2HAB3109.5°119.9°
HAB1CABOAQCBF54.7°180.0°
HAB2CABOAQCBF180.0°60.0°
HAB3CABOAQCBF54.7°60.0°
OAQCBFCBDCBI120.7°119.0°
OAQCBFCBDHBF119.0°120.5°
OAQCBFCBIHBF119.8°120.0°
OAQCBFCBDNAO68.5°58.1°
OAQCBFCBDCAN52.7°177.7°
OAQCBFCBDHBD171.8°62.7°
OAQCBFCBIOAR88.9°173.0°
OAQCBFCBICAC163.1°72.2°
OAQCBFCBINBH33.5°41.7°
CBDCBFCBIHBF126.3°121.6°
CBFCBDNAOCAN120.0°118.3°
CBFCBDNAOHBD120.9°120.8°
CBFCBDCANHBD120.9°119.6°
CBFCBDNAOCAA176.8°155.8°
CBFCBDNAOHNO57.9°42.0°
CBFCBDCANCBE56.7°57.6°
CBFCBDCANHAN1178.1°177.6°
CBFCBDCANHAN268.6°62.4°
CBDCBFCBIOAR25.0°54.6°
CBDCBFCBICAC83.0°169.5°
CBDCBFCBINBH147.3°76.7°
CBICBFCBDNAO170.8°60.9°
CBICBFCBDCAN68.1°58.7°
CBICBFCBDHBD51.1°178.3°
CBFCBIOARCBE33.1°49.9°
CBFCBIOARCAC113.6°114.2°
CBFCBIOARNBH120.5°130.0°
CBFCBICACNBH120.7°118.1°
CBFCBICACHAC154.8°83.5°
CBFCBICACHAC2180.0°36.5°
CBFCBICACHAC354.7°156.5°
CBFCBINBHCAY87.5°81.5°
CBFCBINBHCBC90.0°99.4°
HBFCBFCBDNAO50.5°178.6°
HBFCBFCBDCAN171.7°61.9°
HBFCBFCBDHBD69.2°57.7°
HBFCBFCBIOAR151.3°67.0°
HBFCBFCBICAC43.3°47.9°
HBFCBFCBINBH86.3°161.7°
NAOCBDCANHBD119.7°120.9°
CBDNAOCAAHNO125.3°113.8°
CBDNAOCAAHAA154.7°59.9°
CBDNAOCAAHAA2180.0°60.0°
CBDNAOCAAHAA354.7°180.0°
NAOCBDCANCBE176.0°61.9°
NAOCBDCANHAN158.7°58.1°
NAOCBDCANHAN250.7°178.0°
CANCBDNAOCAA56.9°85.9°
CANCBDNAOHNO177.9°160.3°
CBDCANCBEHAN1125.3°120.0°
CBDCANCBEHAN2125.3°120.0°
CBDCANHAN1HAN2117.1°120.0°
CBDCANCBEOAR1.7°52.1°
CBDCANCBENBG120.9°77.3°
CBDCANCBEHBE122.3°168.1°
HBDCBDNAOCAA62.3°35.0°
HBDCBDNAOHNO63.0°78.8°
HBDCBDCANCBE64.3°177.2°
HBDCBDCANHAN161.0°62.8°
HBDCBDCANHAN2170.4°57.2°
NAOCAAHAA1HAA2131.8°119.9°
NAOCAAHAA1HAA3114.1°120.0°
NAOCAAHAA2HAA3125.3°120.0°
HNONAOCAAHAA1180.0°53.8°
HNONAOCAAHAA254.7°173.8°
HNONAOCAAHAA370.5°66.2°
HAA1CAAHAA2HAA3109.5°120.1°
CBECANHAN1HAN2117.1°120.1°
CANCBEOARNBG126.6°128.5°
CANCBEOARHBE116.0°116.0°
CANCBENBGHBE115.6°114.6°
CANCBEOARCBI46.8°48.5°
CANCBENBGCBB98.4°96.9°
CANCBENBGCAV85.1°80.2°
HAN1CANCBEOAR123.5°172.1°
HAN1CANCBENBG113.9°42.7°
HAN1CANCBEHBE2.9°71.9°
HAN2CANCBEOAR127.0°67.9°
HAN2CANCBENBG4.4°162.7°
HAN2CANCBEHBE112.4°48.1°
OARCBENBGHBE120.7°115.6°
CBEOARCBICAC146.7°164.1°
CBEOARCBINBH87.5°80.1°
OARCBENBGCBB25.3°32.8°
OARCBENBGCAV151.3°150.0°
NBGCBEOARCBI79.8°80.0°
CBENBGCBBCBC2.5°1.1°
CBENBGCBBCAV177.1°177.6°
CBENBGCBBCAZ177.0°179.6°
CBENBGCAVCAL19.5°1.7°
CBENBGCAVCAT177.1°179.8°
HBECBEOARCBI162.8°164.5°
HBECBENBGCBB146.0°148.4°
HBECBENBGCAV30.5°34.4°
OARCBICACNBH117.6°121.8°
OARCBICACHAC1176.5°36.6°
OARCBICACHAC258.3°156.6°
OARCBICACHAC367.0°83.3°
OARCBINBHCAY145.1°147.7°
OARCBINBHCBC37.4°31.4°
CBICACHAC1HAC2122.0°120.0°
CBICACHAC1HAC3119.0°120.0°
CBICACHAC2HAC3125.3°120.0°
CACCBINBHCAY33.9°31.8°
CACCBINBHCBC148.6°147.3°
NBHCBICACHAC166.0°158.4°
NBHCBICACHAC259.3°81.6°
NBHCBICACHAC3175.5°38.4°
CBINBHCAYCBC178.0°179.2°
CBINBHCAYCAH2.0°1.0°
CBINBHCAYCAX177.8°178.8°
CBINBHCBCCBA177.9°179.0°
CBINBHCBCCBB1.9°1.3°
HAC1CACHAC2HAC3109.4°120.0°
NBHCAYCAHCAX179.8°179.8°
NBHCAYCAHCAF179.9°179.7°
NBHCAYCAHHAH0.1°0.3°
NBHCAYCAXCAG180.0°179.7°
NBHCAYCAXCBA0.2°0.5°
CAYNBHCBCCBA0.1°0.2°
CAYNBHCBCCBB179.9°179.4°
CBCNBHCAYCAH180.0°179.8°
CBCNBHCAYCAX0.2°0.4°
NBHCBCCBACAX0.1°0.1°
NBHCBCCBACBB179.8°179.7°
NBHCBCCBACAU179.8°179.9°
NBHCBCCBBNBG0.7°1.3°
NBHCBCCBBCAZ179.8°179.5°
CAYCAHCAFHAH180.0°179.9°
CAYCAHCAFCAE0.0°0.1°
CAYCAHCAFHAF180.0°180.0°
CAHCAYCAXCAG0.1°0.1°
CAHCAYCAXCBA179.9°179.7°
CAXCAYCAHCAF0.1°0.1°
CAXCAYCAHHAH179.9°179.9°
CAYCAXCAGCAE0.1°0.0°
CAYCAXCAGCBA179.7°179.8°
CAYCAXCAGHAG179.9°179.9°
CAYCAXCBACBC0.2°0.3°
CAYCAXCBACAU179.6°179.6°
CAHCAFCAEHAF180.0°180.0°
CAHCAFCAECAG0.0°0.0°
CAHCAFCAEHAE180.0°179.9°
HAHCAHCAFCAE180.0°180.0°
HAHCAHCAFHAF0.0°0.1°
CAFCAECAGHAE180.0°179.9°
CAFCAECAGCAX0.0°0.0°
CAFCAECAGHAG180.0°180.0°
HAFCAFCAECAG180.0°179.9°
HAFCAFCAEHAE0.0°0.1°
CAECAGCAXHAG180.0°180.0°
CAECAGCAXCBA179.8°179.7°
HAECAECAGCAX180.0°179.9°
HAECAECAGHAG0.0°0.1°
CAGCAXCBACBC180.0°179.9°
CAGCAXCBACAU0.2°0.2°
HAGCAGCAXCBA0.2°0.3°
CAXCBACBCCAU179.9°179.9°
CAXCBACBCCBB179.7°179.7°
CAXCBACAUCAW179.6°179.7°
CAXCBACAUCAM3.1°0.1°
CBACBCCBBNBG179.5°179.1°
CBACBCCBBCAZ0.0°0.1°
CBCCBACAUCAW0.6°0.2°
CBCCBACAUCAM176.7°180.0°
CAUCBACBCCBB0.4°0.2°
CBACAUCAWCAZ0.5°0.0°
CBACAUCAWCAM177.8°179.9°
CBACAUCAWCAS179.0°180.0°
CBACAUCAMNAP171.7°179.9°
CBACAUCAMHAM146.4°61.0°
CBACAUCAMHAM263.1°60.6°
CBCCBBNBGCAZ179.5°179.3°
CBCCBBNBGCAV179.5°178.7°
CBCCBBCAZCAT179.3°179.6°
CBCCBBCAZCAW0.1°0.4°
CBBNBGCAVCAL163.0°179.3°
CBBNBGCAVCAT0.3°2.3°
NBGCBBCAZCAT0.2°1.1°
NBGCBBCAZCAW179.4°179.0°
CAZCBBNBGCAV0.1°2.1°
CBBCAZCATCAV0.4°0.3°
CBBCAZCATCAK179.4°179.7°
CBBCAZCATCAW178.9°179.9°
CBBCAZCAWCAU0.1°0.3°
CBBCAZCAWCAS179.2°179.8°
NBGCAVCALCAT160.9°178.3°
NBGCAVCALCAJ164.7°161.2°
NBGCAVCALHAL139.4°41.4°
NBGCAVCALHAL270.1°79.1°
NBGCAVCATCAK179.5°178.5°
NBGCAVCATCAZ0.5°1.6°
CAVCALCAJHAL1125.3°119.8°
CAVCALCAJHAL2125.3°119.7°
CAVCALHAL1HAL2118.9°120.4°
CAVCALCAJCAI56.9°50.4°
CAVCALCAJHAJ168.4°69.7°
CAVCALCAJHAJ2177.9°170.4°
CALCAVCATCAK15.7°0.1°
CALCAVCATCAZ163.3°179.9°
CATCAVCALCAJ34.4°17.0°
CATCAVCALHAL1159.7°136.8°
CATCAVCALHAL290.8°102.6°
CAVCATCAKCAI17.3°16.5°
CAVCATCAKCAZ178.9°179.9°
CAVCATCAKHAK1108.0°103.3°
CAVCATCAKHAK2142.5°136.2°
CAVCATCAZCAW179.3°179.6°
CAJCALHAL1HAL2118.8°120.5°
CALCAJCAIHAJ1125.3°120.0°
CALCAJCAIHAJ2125.3°120.0°
CALCAJHAJ1HAJ2117.5°119.9°
CALCAJCAICAK63.6°70.1°
CALCAJCAIHAI1171.2°169.9°
CALCAJCAIHAI261.7°49.8°
HAL1CALCAJCAI177.9°170.1°
HAL1CALCAJHAJ156.9°50.1°
HAL1CALCAJHAJ252.6°69.8°
HAL2CALCAJCAI68.4°69.3°
HAL2CALCAJHAJ1166.3°170.7°
HAL2CALCAJHAJ256.9°50.7°
CAICAJHAJ1HAJ2117.4°120.1°
CAJCAICAKHAI1125.2°119.9°
CAJCAICAKHAI2125.3°119.9°
CAJCAIHAI1HAI2117.0°120.0°
CAJCAICAKCAT40.4°49.7°
CAJCAICAKHAK184.8°70.0°
CAJCAICAKHAK2165.7°169.4°
HAJ1CAJCAICAK61.7°49.9°
HAJ1CAJCAIHAI163.6°70.1°
HAJ1CAJCAIHAI2173.0°169.8°
HAJ2CAJCAICAK171.1°169.9°
HAJ2CAJCAIHAI145.9°49.9°
HAJ2CAJCAIHAI263.6°70.1°
CAKCAIHAI1HAI2117.1°120.1°
CAICAKCATHAK1125.3°119.8°
CAICAKCATHAK2125.3°119.7°
CAICAKHAK1HAK2117.4°120.4°
CAICAKCATCAZ161.6°163.5°
HAI1CAICAKCAT165.7°169.6°
HAI1CAICAKHAK140.4°49.9°
HAI1CAICAKHAK269.1°70.6°
HAI2CAICAKCAT84.9°70.2°
HAI2CAICAKHAK1149.9°170.0°
HAI2CAICAKHAK240.4°49.5°
CATCAKHAK1HAK2117.4°120.5°
CAKCATCAZCAW1.7°0.3°
HAK1CAKCATCAZ73.1°76.8°
HAK2CAKCATCAZ36.3°43.8°
CATCAZCAWCAU178.6°179.6°
CATCAZCAWCAS2.1°0.3°
CAZCAWCAUCAS179.5°179.9°
CAZCAWCAUCAM177.3°179.8°
CAZCAWCASNAP172.7°179.8°
CAZCAWCASOAD7.9°0.1°
CAWCAUCAMNAP10.8°0.1°
CAWCAUCAMHAM1136.0°119.2°
CAWCAUCAMHAM2114.4°119.2°
CAUCAWCASNAP6.6°0.1°
CAUCAWCASOAD172.8°179.9°
CASCAWCAUCAM3.3°0.1°
CAWCASNAPCAM14.3°0.1°
CAWCASNAPOAD179.4°179.9°
CAWCASNAPHAP165.7°179.9°
CAUCAMNAPHAM1125.3°119.1°
CAUCAMNAPHAM2125.2°119.2°
CAUCAMHAM1HAM2121.7°121.6°
CAUCAMNAPCAS15.3°0.0°
CAUCAMNAPHAP164.8°180.0°
NAPCAMHAM1HAM2121.6°121.6°
CAMNAPCASHAP180.0°180.0°
CAMNAPCASOAD165.0°180.0°
HAM1CAMNAPCAS140.5°119.1°
HAM1CAMNAPHAP39.5°60.9°
HAM2CAMNAPCAS110.0°119.2°
HAM2CAMNAPHAP70.0°60.8°
HAPNAPCASOAD14.9°0.0°

222415

PDB entries from 2024-07-10

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