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TDS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBCCBBsing1.53Å1.39Å
CBCHBC1sing1.09Å1.11Å
CBCHBC2sing1.09Å1.12Å
CBCHBC3sing1.09Å1.11Å
CBBCBAsing1.53Å1.53Å
CBBHBB1sing1.09Å1.11Å
CBBHBB2sing1.09Å1.11Å
CBACAZsing1.53Å1.53Å
CBAHBA1sing1.09Å1.11Å
CBAHBA2sing1.09Å1.12Å
CAZCAYsing1.53Å1.53Å
CAZHAZ1sing1.09Å1.12Å
CAZHAZ2sing1.09Å1.11Å
CAYCAXsing1.53Å1.53Å
CAYHAY1sing1.09Å1.12Å
CAYHAY2sing1.09Å1.11Å
CAXCAWsing1.53Å1.53Å
CAXHAX1sing1.09Å1.11Å
CAXHAX2sing1.09Å1.11Å
CAWCAVsing1.53Å1.53Å
CAWHAW1sing1.09Å1.12Å
CAWHAW2sing1.09Å1.12Å
CAVCAUsing1.53Å1.53Å
CAVHAV1sing1.09Å1.12Å
CAVHAV2sing1.09Å1.11Å
CAUCATsing1.53Å1.53Å
CAUHAU1sing1.09Å1.11Å
CAUHAU2sing1.09Å1.11Å
CATCASsing1.53Å1.53Å
CATHAT1sing1.09Å1.12Å
CATHAT2sing1.09Å1.11Å
CASCARsing1.53Å1.39Å
CASHAS1sing1.09Å1.12Å
CASHAS2sing1.09Å1.11Å
CARCAQsing1.53Å1.39Å
CARHAR1sing1.09Å1.12Å
CARHAR2sing1.09Å1.11Å
CAQCAPsing1.51Å1.39Å
CAQHAQ1sing1.09Å1.12Å
CAQHAQ2sing1.09Å1.11Å
CAPOAOsing1.34Å1.36ÅAromatic
CAPCAHdoub1.34Å1.40ÅAromatic
OAOCANsing1.35Å1.36ÅAromatic
CAHCAIsing1.51Å1.53Å
CAHCAGsing1.42Å1.39ÅAromatic
CAIHAI1sing1.09Å1.12Å
CAIHAI2sing1.09Å1.11Å
CAIHAI3sing1.09Å1.12Å
CAGOACdoub1.22Å1.23Å
CAGCAFsing1.47Å1.39ÅAromatic
CAFCANdoub1.41Å1.39ÅAromatic
CAFCAEsing1.40Å1.39ÅAromatic
CANCAMsing1.39Å1.53ÅAromatic
CAMOBDsing1.36Å1.36Å
CAMCALdoub1.39Å1.53ÅAromatic
OBDHBDsing0.97Å0.95Å
CALOAKsing1.36Å1.43Å
CALCADsing1.39Å1.39ÅAromatic
OAKCAJsing1.43Å1.43Å
CAJHAJ1sing1.09Å1.12Å
CAJHAJ2sing1.09Å1.11Å
CAJHAJ3sing1.09Å1.11Å
CADCAEdoub1.38Å1.39ÅAromatic
CADHADsing1.08Å1.10Å
CAEOABsing1.36Å1.36Å
OABCAAsing1.43Å1.43Å
CAAHAA1sing1.09Å1.12Å
CAAHAA2sing1.09Å1.12Å
CAAHAA3sing1.09Å1.12Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBBCBCHBC1111.9°109.5°
CBBCBCHBC2110.3°109.5°
CBBCBCHBC3111.9°109.5°
CBCCBBCBA110.3°109.5°
CBCCBBHBB1111.9°109.5°
CBCCBBHBB2111.9°109.5°
HBC1CBCHBC2111.9°109.5°
HBC1CBCHBC398.5°109.4°
HBC2CBCHBC3111.9°109.5°
CBACBBHBB1111.9°109.5°
CBACBBHBB2111.9°109.5°
CBBCBACAZ111.9°109.5°
CBBCBAHBA1111.3°109.4°
CBBCBAHBA2111.3°109.4°
HBB1CBBHBB298.5°109.4°
CAZCBAHBA1111.3°109.5°
CAZCBAHBA2111.3°109.5°
CBACAZCAY118.8°109.5°
CBACAZHAZ1108.8°109.5°
CBACAZHAZ2108.9°109.5°
HBA1CBAHBA299.1°109.5°
CAYCAZHAZ1108.9°109.4°
CAYCAZHAZ2108.8°109.5°
CAZCAYCAX111.6°109.5°
CAZCAYHAY1111.5°109.5°
CAZCAYHAY2111.4°109.5°
HAZ1CAZHAZ2101.2°109.5°
CAXCAYHAY1111.4°109.5°
CAXCAYHAY2111.4°109.4°
CAYCAXCAW110.2°109.5°
CAYCAXHAX1112.0°109.4°
CAYCAXHAX2111.9°109.5°
HAY1CAYHAY298.9°109.5°
CAWCAXHAX1112.0°109.4°
CAWCAXHAX2111.9°109.5°
CAXCAWCAV111.9°109.5°
CAXCAWHAW1111.3°109.4°
CAXCAWHAW2111.3°109.6°
HAX1CAXHAX298.5°109.4°
CAVCAWHAW1111.3°109.4°
CAVCAWHAW2111.3°109.4°
CAWCAVCAU121.7°109.5°
CAWCAVHAV1107.9°109.5°
CAWCAVHAV2107.8°109.5°
HAW1CAWHAW299.1°109.4°
CAUCAVHAV1107.8°109.5°
CAUCAVHAV2107.8°109.4°
CAVCAUCAT110.6°109.5°
CAVCAUHAU1111.8°109.5°
CAVCAUHAU2111.8°109.5°
HAV1CAVHAV2102.0°109.5°
CATCAUHAU1111.8°109.4°
CATCAUHAU2111.8°109.5°
CAUCATCAS113.2°109.5°
CAUCATHAT1110.8°109.4°
CAUCATHAT2110.9°109.4°
HAU1CAUHAU298.6°109.4°
CASCATHAT1110.9°109.5°
CASCATHAT2110.8°109.5°
CATCASCAR109.1°109.5°
CATCASHAS1112.4°109.5°
CATCASHAS2112.3°109.5°
HAT1CATHAT299.5°109.5°
CARCASHAS1112.3°109.4°
CARCASHAS2112.4°109.5°
CASCARCAQ122.3°109.5°
CASCARHAR1107.7°109.5°
CASCARHAR2107.7°109.4°
HAS1CASHAS298.1°109.5°
CAQCARHAR1107.6°109.5°
CAQCARHAR2107.6°109.5°
CARCAQCAP115.3°109.5°
CARCAQHAQ1110.1°109.4°
CARCAQHAQ2110.1°109.5°
HAR1CARHAR2102.2°109.5°
CAPCAQHAQ1110.1°109.5°
CAPCAQHAQ2110.1°109.5°
CAQCAPOAO116.3°118.6°
CAQCAPCAH125.0°118.6°
HAQ1CAQHAQ2100.2°109.4°
OAOCAPCAH118.6°122.8°
CAPOAOCAN115.0°122.4°
CAPCAHCAI122.2°120.2°
CAPCAHCAG119.1°119.6°
OAOCANCAF120.8°119.6°
OAOCANCAM118.5°121.0°
CAICAHCAG118.7°120.2°
CAHCAIHAI1107.7°109.5°
CAHCAIHAI2122.2°109.5°
CAHCAIHAI3107.7°109.5°
CAHCAGOAC120.0°121.4°
CAHCAGCAF118.3°117.3°
HAI1CAIHAI2107.7°109.5°
HAI1CAIHAI3102.1°109.4°
HAI2CAIHAI3107.7°109.5°
OACCAGCAF121.6°121.3°
CAGCAFCAN117.5°118.3°
CAGCAFCAE120.4°121.4°
CANCAFCAE121.9°120.3°
CAFCANCAM120.6°119.4°
CAFCAECAD121.8°119.5°
CAFCAEOAB119.1°120.3°
CANCAMOBD123.7°120.1°
CANCAMCAL112.9°119.9°
OBDCAMCAL123.4°120.0°
CAMOBDHBD123.6°106.8°
CAMCALOAK113.6°119.7°
CAMCALCAD121.8°120.7°
OAKCALCAD124.6°119.7°
CALOAKCAJ109.7°106.8°
CALCADCAE120.9°120.2°
CALCADHAD119.5°119.9°
OAKCAJHAJ1112.1°109.5°
OAKCAJHAJ2109.7°109.5°
OAKCAJHAJ3112.1°109.4°
HAJ1CAJHAJ2112.2°109.5°
HAJ1CAJHAJ398.2°109.5°
HAJ2CAJHAJ3112.2°109.5°
CAECADHAD119.6°120.0°
CADCAEOAB119.1°120.2°
CAEOABCAA111.2°106.8°
OABCAAHAA1111.6°109.5°
OABCAAHAA2111.2°109.5°
OABCAAHAA3111.6°109.5°
HAA1CAAHAA2111.6°109.4°
HAA1CAAHAA398.8°109.5°
HAA2CAAHAA3111.6°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBBCBCHBC1HBC2124.4°120.0°
CBBCBCHBC1HBC3117.8°120.0°
CBBCBCHBC2HBC3125.3°120.0°
CBCCBBCBAHBB1125.3°120.1°
CBCCBBCBAHBB2125.3°120.1°
CBCCBBHBB1HBB2117.8°120.0°
CBCCBBCBACAZ176.2°180.0°
CBCCBBCBAHBA150.9°60.0°
CBCCBBCBAHBA258.6°60.0°
HBC1CBCHBC2HBC3109.5°119.9°
HBC1CBCCBBCBA54.7°180.0°
HBC1CBCCBBHBB170.5°60.0°
HBC1CBCCBBHBB2NaN°59.9°
HBC2CBCCBBCBA180.0°60.0°
HBC2CBCCBBHBB154.8°60.0°
HBC2CBCCBBHBB254.7°179.9°
HBC3CBCCBBCBA54.7°60.0°
HBC3CBCCBBHBB1180.0°180.0°
HBC3CBCCBBHBB270.5°60.1°
CBACBBHBB1HBB2117.8°119.9°
CBBCBACAZHBA1125.3°120.0°
CBBCBACAZHBA2125.3°119.9°
CBBCBAHBA1HBA2117.2°119.9°
CBBCBACAZCAY180.0°180.0°
CBBCBACAZHAZ154.8°60.1°
CBBCBACAZHAZ254.7°60.0°
HBB1CBBCBACAZ58.5°59.9°
HBB1CBBCBAHBA1176.2°180.0°
HBB1CBBCBAHBA266.7°60.0°
HBB2CBBCBACAZ50.9°59.9°
HBB2CBBCBAHBA174.3°60.1°
HBB2CBBCBAHBA2176.2°179.9°
CAZCBAHBA1HBA2117.2°120.1°
CBACAZCAYHAZ1125.2°120.0°
CBACAZCAYHAZ2125.3°120.0°
CBACAZHAZ1HAZ2114.6°120.1°
CBACAZCAYCAX177.4°180.0°
CBACAZCAYHAY157.4°60.0°
CBACAZCAYHAY252.1°60.0°
HBA1CBACAZCAY54.7°60.0°
HBA1CBACAZHAZ1180.0°180.0°
HBA1CBACAZHAZ270.5°60.0°
HBA2CBACAZCAY54.8°60.1°
HBA2CBACAZHAZ170.5°59.9°
HBA2CBACAZHAZ2180.0°179.9°
CAYCAZHAZ1HAZ2114.6°120.0°
CAZCAYCAXHAY1125.3°120.0°
CAZCAYCAXHAY2125.3°120.0°
CAZCAYHAY1HAY2117.3°120.0°
CAZCAYCAXCAW168.6°179.9°
CAZCAYCAXHAX143.3°60.0°
CAZCAYCAXHAX266.2°60.0°
HAZ1CAZCAYCAX52.1°60.0°
HAZ1CAZCAYHAY1177.4°180.0°
HAZ1CAZCAYHAY273.1°60.0°
HAZ2CAZCAYCAX57.4°60.0°
HAZ2CAZCAYHAY167.9°60.0°
HAZ2CAZCAYHAY2177.4°179.9°
CAXCAYHAY1HAY2117.3°119.9°
CAYCAXCAWHAX1125.3°120.0°
CAYCAXCAWHAX2125.2°120.1°
CAYCAXHAX1HAX2117.9°120.0°
CAYCAXCAWCAV115.7°180.0°
CAYCAXCAWHAW1119.0°60.0°
CAYCAXCAWHAW29.5°59.9°
HAY1CAYCAXCAW66.2°60.0°
HAY1CAYCAXHAX1168.6°180.0°
HAY1CAYCAXHAX259.1°60.1°
HAY2CAYCAXCAW43.3°59.9°
HAY2CAYCAXHAX182.0°60.0°
HAY2CAYCAXHAX2168.5°179.9°
CAWCAXHAX1HAX2117.9°120.0°
CAXCAWCAVHAW1125.3°120.0°
CAXCAWCAVHAW2125.3°120.1°
CAXCAWHAW1HAW2117.2°120.1°
CAXCAWCAVCAU179.3°179.9°
CAXCAWCAVHAV154.0°60.0°
CAXCAWCAVHAV255.5°60.0°
HAX1CAXCAWCAV9.5°60.0°
HAX1CAXCAWHAW1115.7°180.0°
HAX1CAXCAWHAW2134.8°60.0°
HAX2CAXCAWCAV119.0°59.9°
HAX2CAXCAWHAW16.2°60.1°
HAX2CAXCAWHAW2115.7°180.0°
CAVCAWHAW1HAW2117.2°119.9°
CAWCAVCAUHAV1125.3°120.0°
CAWCAVCAUHAV2125.2°120.0°
CAWCAVHAV1HAV2113.4°120.0°
CAWCAVCAUCAT46.2°180.0°
CAWCAVCAUHAU1171.5°60.0°
CAWCAVCAUHAU279.0°60.0°
HAW1CAWCAVCAU55.4°60.0°
HAW1CAWCAVHAV1179.3°180.0°
HAW1CAWCAVHAV269.8°60.0°
HAW2CAWCAVCAU54.1°59.9°
HAW2CAWCAVHAV171.2°60.1°
HAW2CAWCAVHAV2179.3°179.9°
CAUCAVHAV1HAV2113.4°120.0°
CAVCAUCATHAU1125.3°120.0°
CAVCAUCATHAU2125.3°120.0°
CAVCAUHAU1HAU2117.7°120.0°
CAVCAUCATCAS165.1°180.0°
CAVCAUCATHAT169.6°60.0°
CAVCAUCATHAT239.9°60.0°
HAV1CAVCAUCAT79.0°60.0°
HAV1CAVCAUHAU146.2°180.0°
HAV1CAVCAUHAU2155.7°60.0°
HAV2CAVCAUCAT171.5°60.0°
HAV2CAVCAUHAU163.3°60.0°
HAV2CAVCAUHAU246.2°180.0°
CATCAUHAU1HAU2117.7°120.0°
CAUCATCASHAT1125.3°120.0°
CAUCATCASHAT2125.3°119.9°
CAUCATHAT1HAT2116.7°120.0°
CAUCATCASCAR179.7°180.0°
CAUCATCASHAS155.1°60.0°
CAUCATCASHAS254.5°60.0°
HAU1CAUCATCAS39.8°60.0°
HAU1CAUCATHAT1165.1°180.0°
HAU1CAUCATHAT285.4°60.0°
HAU2CAUCATCAS69.6°60.0°
HAU2CAUCATHAT155.7°60.0°
HAU2CAUCATHAT2165.1°179.9°
CASCATHAT1HAT2116.7°120.1°
CATCASCARHAS1125.3°120.0°
CATCASCARHAS2125.2°120.0°
CATCASHAS1HAS2118.3°120.0°
CATCASCARCAQ159.3°180.0°
CATCASCARHAR175.4°60.0°
CATCASCARHAR234.1°60.0°
HAT1CATCASCAR54.4°60.0°
HAT1CATCASHAS1179.7°NaN°
HAT1CATCASHAS270.8°60.0°
HAT2CATCASCAR55.0°60.1°
HAT2CATCASHAS170.2°59.9°
HAT2CATCASHAS2179.7°179.9°
CARCASHAS1HAS2118.3°120.0°
CASCARCAQHAR1125.3°120.0°
CASCARCAQHAR2125.3°120.0°
CASCARHAR1HAR2113.2°119.9°
CASCARCAQCAP66.3°180.0°
CASCARCAQHAQ1168.5°60.0°
CASCARCAQHAQ259.0°60.0°
HAS1CASCARCAQ34.1°60.0°
HAS1CASCARHAR1159.3°180.0°
HAS1CASCARHAR291.2°60.0°
HAS2CASCARCAQ75.4°60.0°
HAS2CASCARHAR149.8°60.1°
HAS2CASCARHAR2159.3°180.0°
CAQCARHAR1HAR2113.2°120.1°
CARCAQCAPHAQ1125.3°120.0°
CARCAQCAPHAQ2125.3°120.0°
CARCAQHAQ1HAQ2115.9°120.0°
CARCAQCAPOAO54.6°90.3°
CARCAQCAPCAH129.2°90.0°
HAR1CARCAQCAP59.0°60.0°
HAR1CARCAQHAQ166.2°180.0°
HAR1CARCAQHAQ2175.7°60.0°
HAR2CARCAQCAP168.5°60.0°
HAR2CARCAQHAQ143.2°60.0°
HAR2CARCAQHAQ266.3°179.9°
CAPCAQHAQ1HAQ2115.9°120.0°
CAQCAPOAOCAH176.4°179.7°
CAQCAPOAOCAN148.2°179.8°
CAQCAPCAHCAI8.7°0.0°
CAQCAPCAHCAG169.9°179.9°
HAQ1CAQCAPOAO179.9°149.7°
HAQ1CAQCAPCAH4.0°30.0°
HAQ2CAQCAPOAO70.7°29.8°
HAQ2CAQCAPCAH105.5°150.0°
OAOCAPCAHCAI167.4°179.7°
OAOCAPCAHCAG14.0°0.2°
CAPOAOCANCAF32.6°0.5°
CAPOAOCANCAM149.8°179.7°
CAHCAPOAOCAN35.4°0.5°
CAPCAHCAICAG178.5°179.9°
CAPCAHCAIHAI154.8°180.0°
CAPCAHCAIHAI2180.0°60.0°
CAPCAHCAIHAI354.7°60.0°
CAPCAHCAGOAC169.0°180.0°
CAPCAHCAGCAF11.4°0.1°
OAOCANCAFCAG7.7°0.2°
OAOCANCAFCAM177.6°179.8°
OAOCANCAFCAE176.7°179.7°
OAOCANCAMOBD3.5°0.2°
OAOCANCAMCAL177.2°179.7°
CAHCAIHAI1HAI2133.5°120.0°
CAHCAIHAI1HAI3113.3°120.0°
CAHCAIHAI2HAI3125.3°120.0°
CAICAHCAGOAC12.4°0.1°
CAICAHCAGCAF167.2°180.0°
CAGCAHCAIHAI1123.8°0.1°
CAGCAHCAIHAI21.4°120.1°
CAGCAHCAIHAI3126.7°119.9°
CAHCAGOACCAF179.5°179.9°
CAHCAGCAFCAN14.5°0.1°
CAHCAGCAFCAE161.2°180.0°
HAI1CAIHAI2HAI3109.4°120.0°
OACCAGCAFCAN165.9°180.0°
OACCAGCAFCAE18.3°0.1°
CAGCAFCANCAE175.6°179.9°
CAGCAFCANCAM174.7°180.0°
CAGCAFCAECAD174.6°179.9°
CAGCAFCAEOAB4.8°0.0°
CAFCANCAMOBD178.8°180.0°
CAFCANCAMCAL0.5°0.1°
CANCAFCAECAD0.9°0.0°
CANCAFCAEOAB179.7°180.0°
CAECAFCANCAM1.0°0.0°
CAFCAECADCAL0.2°0.0°
CAFCAECADOAB179.4°180.0°
CAFCAECADHAD179.8°180.0°
CAFCAEOABCAA90.4°180.0°
CANCAMOBDCAL179.2°179.9°
CANCAMOBDHBD180.0°90.0°
CANCAMCALOAK178.3°180.0°
CANCAMCALCAD0.1°0.1°
OBDCAMCALOAK2.4°0.1°
OBDCAMCALCAD179.4°180.0°
CALCAMOBDHBD0.8°89.9°
CAMCALOAKCAD178.1°179.9°
CAMCALOAKCAJ83.8°180.0°
CAMCALCADCAE0.3°0.1°
CAMCALCADHAD179.7°180.0°
CALOAKCAJHAJ154.7°180.0°
CALOAKCAJHAJ2180.0°60.0°
CALOAKCAJHAJ354.7°59.9°
OAKCALCADCAE178.2°179.9°
OAKCALCADHAD1.7°0.1°
CADCALOAKCAJ98.0°0.1°
CALCADCAEHAD180.0°180.0°
CALCADCAEOAB179.7°179.9°
OAKCAJHAJ1HAJ2123.9°120.0°
OAKCAJHAJ1HAJ3118.0°120.0°
OAKCAJHAJ2HAJ3125.3°119.9°
HAJ1CAJHAJ2HAJ3109.5°120.1°
CADCAEOABCAA90.1°0.0°
HADCADCAEOAB0.4°0.0°
CAEOABCAAHAA154.7°180.0°
CAEOABCAAHAA2180.0°60.0°
CAEOABCAAHAA354.7°60.0°
OABCAAHAA1HAA2125.1°120.0°
OABCAAHAA1HAA3117.5°120.1°
OABCAAHAA2HAA3125.3°120.0°
HAA1CAAHAA2HAA3109.5°120.0°

221051

PDB entries from 2024-06-12

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