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2XT

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQCARdoub1.38Å1.39ÅAromatic
CAQCAPsing1.38Å1.39ÅAromatic
CARCASsing1.38Å1.39ÅAromatic
CAPCAOdoub1.38Å1.39ÅAromatic
CASCBPdoub1.38Å1.40ÅAromatic
CAOCBPsing1.38Å1.39ÅAromatic
CBPCBOsing1.51Å1.41Å
CBONBMsing1.47Å1.50Å
CBICBHsing1.51Å1.53Å
NBMNBNsing1.29Å1.24ÅAromatic
NBMCAMsing1.35Å1.34ÅAromatic
NBNNANdoub1.29Å1.20ÅAromatic
OAZCAKsing1.43Å1.43Å
NBACBHsing1.35Å1.34Å
NBACBDsing1.46Å1.48Å
CAMCBLdoub1.35Å1.33ÅAromatic
O4C4sing1.43Å1.45Å
CBHOBJdoub1.21Å1.23Å
CAKCBDsing1.53Å1.51Å
CAKCAIsing1.53Å1.52Å
NANCBLsing1.34Å1.32ÅAromatic
CBLCBKsing1.51Å1.54Å
CBDCAXsing1.53Å1.53Å
O1CAIsing1.43Å1.46Å
O1C1sing1.43Å1.44Å
C2O2sing1.43Å1.42Å
C2C3sing1.53Å1.48Å
C2C1sing1.53Å1.52Å
O3CBKsing1.43Å1.43Å
O3C3sing1.43Å1.45Å
C4C3sing1.53Å1.54Å
C4C5sing1.53Å1.55Å
CAICAJsing1.53Å1.55Å
O5C1sing1.43Å1.44Å
O5C5sing1.43Å1.45Å
CAXOBCsing1.43Å1.44Å
CAXOAWsing1.43Å1.45Å
C6C5sing1.53Å1.53Å
C6O6sing1.43Å1.45Å
CAJOAWsing1.43Å1.47Å
CAJCBBsing1.53Å1.53Å
OBCCBFsing1.43Å1.44Å
CBFCBGsing1.53Å1.53Å
CBBOBEsing1.43Å1.42Å
CBGCALsing1.53Å1.53Å
CBIH1sing1.09Å1.10Å
CBIH2sing1.09Å1.10Å
CBIH3sing1.09Å1.10Å
NBAH4sing0.97Å1.00Å
CBDH5sing1.09Å1.10Å
CAKH6sing1.09Å1.10Å
OAZH7sing0.97Å0.95Å
CAXH8sing1.09Å1.10Å
CBFH9sing1.09Å1.10Å
CBFH10sing1.09Å1.10Å
CBGH11sing1.09Å1.10Å
CBGH12sing1.09Å1.10Å
CALH13sing1.09Å1.10Å
CALH14sing1.09Å1.10Å
CALH15sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
CBBH17sing1.09Å1.10Å
CBBH18sing1.09Å1.10Å
OBEH19sing0.97Å0.95Å
CAIH20sing1.09Å1.10Å
C1H21sing1.09Å1.10Å
C2H22sing1.09Å1.10Å
O2H23sing0.97Å0.95Å
C5H24sing1.09Å1.10Å
C6H25sing1.09Å1.10Å
C6H26sing1.09Å1.10Å
O6H27sing0.97Å0.95Å
C4H28sing1.09Å1.10Å
O4H29sing0.97Å0.95Å
C3H30sing1.09Å1.10Å
CBKH31sing1.09Å1.10Å
CBKH32sing1.09Å1.10Å
CAMH33sing1.08Å1.08Å
CBOH34sing1.09Å1.10Å
CBOH35sing1.09Å1.10Å
CAOH36sing1.08Å1.08Å
CAPH37sing1.08Å1.08Å
CAQH38sing1.08Å1.08Å
CARH39sing1.08Å1.08Å
CASH40sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CARCAQCAP120.0°120.0°
CAQCARCAS119.6°120.0°
CARCAQH38120.0°120.0°
CAQCARH39120.2°120.1°
CAQCAPCAO120.2°120.0°
CAQCAPH37119.9°120.0°
CAPCAQH38120.0°120.0°
CARCASCBP120.9°120.0°
CASCARH39120.2°120.0°
CARCASH40119.6°120.0°
CAPCAOCBP120.3°120.0°
CAPCAOH36119.8°120.0°
CAOCAPH37119.9°120.0°
CASCBPCAO119.1°120.0°
CASCBPCBO119.2°120.0°
CBPCASH40119.5°119.9°
CAOCBPCBO121.7°120.0°
CBPCAOH36119.9°120.0°
CBPCBONBM112.9°109.5°
CBPCBOH34108.6°109.5°
CBPCBOH35108.6°109.5°
CBONBMNBN118.6°125.9°
CBONBMCAM132.3°125.9°
NBMCBOH34108.6°109.5°
NBMCBOH35108.6°109.4°
CBICBHNBA115.0°120.0°
CBICBHOBJ120.6°120.0°
CBHCBIH1109.5°109.4°
CBHCBIH2109.5°109.5°
CBHCBIH3109.5°109.5°
NBNNBMCAM109.1°108.2°
NBMNBNNAN112.0°110.2°
NBMCAMCBL103.0°106.1°
NBMCAMH33128.5°126.9°
NBNNANCBL108.3°108.9°
OAZCAKCBD106.5°109.5°
OAZCAKCAI109.2°109.5°
OAZCAKH6111.6°109.6°
CAKOAZH7109.5°114.0°
CBHNBACBD122.8°120.0°
NBACBHOBJ123.2°120.0°
CBHNBAH4118.6°120.1°
NBACBDCAK110.5°109.5°
NBACBDCAX110.9°109.5°
CBDNBAH4118.6°120.0°
NBACBDH5108.6°109.6°
CAMCBLNAN107.6°106.5°
CAMCBLCBK129.2°126.7°
CBLCAMH33128.5°126.9°
O4C4C3110.0°109.5°
O4C4C5111.4°109.5°
O4C4H28109.7°109.6°
C4O4H29109.5°114.0°
CBDCAKCAI108.9°109.1°
CAKCBDCAX110.5°109.1°
CAKCBDH5108.2°109.6°
CBDCAKH6110.3°109.5°
CAKCAIO1109.0°109.5°
CAKCAICAJ109.0°109.1°
CAICAKH6110.2°109.6°
CAKCAIH20109.0°109.5°
NANCBLCBK123.2°126.8°
CBLCBKO3109.7°109.5°
CBLCBKH31109.4°109.5°
CBLCBKH32109.4°109.4°
CBDCAXOBC109.3°109.5°
CBDCAXOAW110.7°109.5°
CAXCBDH5108.0°109.5°
CBDCAXH8108.4°109.5°
CAIO1C1118.0°113.9°
O1CAICAJ111.3°109.5°
O1CAIH20109.9°109.6°
O1C1C2107.6°109.4°
O1C1O5111.4°109.5°
O1C1H21109.0°109.5°
O2C2C3105.0°109.5°
O2C2C1108.5°109.5°
O2C2H22111.9°109.5°
C2O2H23109.5°114.0°
C3C2C1109.8°109.1°
C2C3O3108.1°109.5°
C2C3C4108.5°109.0°
C3C2H22111.0°109.6°
C2C3H30109.2°109.6°
C2C1O5111.8°109.4°
C2C1H21108.0°109.5°
C1C2H22110.4°109.5°
CBKO3C3113.7°114.0°
O3CBKH31109.4°109.5°
O3CBKH32109.4°109.5°
O3C3C4112.8°109.6°
O3C3H30109.7°109.7°
C3C4C5108.8°109.2°
C3C4H28108.5°109.5°
C4C3H30108.5°109.5°
C4C5O5108.0°109.4°
C4C5C6112.4°109.5°
C4C5H24109.2°109.5°
C5C4H28108.4°109.5°
CAICAJOAW108.9°109.4°
CAICAJCBB112.3°109.5°
CAICAJH16107.1°109.5°
CAJCAIH20108.6°109.5°
C1O5C5112.1°114.1°
O5C1H21109.0°109.5°
O5C5C6107.2°109.5°
O5C5H24110.6°109.5°
OBCCAXOAW109.5°109.4°
CAXOBCCBF112.6°114.0°
OBCCAXH8109.5°109.5°
CAXOAWCAJ112.0°114.1°
OAWCAXH8109.4°109.4°
C5C6O6108.6°109.5°
C6C5H24109.5°109.5°
C5C6H25109.7°109.5°
C5C6H26109.7°109.5°
O6C6H25109.7°109.5°
O6C6H26109.7°109.5°
C6O6H27109.5°114.0°
OAWCAJCBB112.8°109.5°
OAWCAJH16108.2°109.5°
CAJCBBOBE109.2°109.5°
CBBCAJH16107.3°109.5°
CAJCBBH17109.5°109.5°
CAJCBBH18109.5°109.5°
OBCCBFCBG108.9°109.5°
OBCCBFH9109.6°109.5°
OBCCBFH10109.6°109.4°
CBFCBGCAL116.0°109.5°
CBGCBFH9109.6°109.5°
CBGCBFH10109.6°109.4°
CBFCBGH11107.8°109.5°
CBFCBGH12107.8°109.4°
OBECBBH17109.5°109.5°
OBECBBH18109.5°109.5°
CBBOBEH19109.5°114.0°
CALCBGH11107.8°109.5°
CALCBGH12107.8°109.4°
CBGCALH13109.5°109.5°
CBGCALH14109.5°109.5°
CBGCALH15109.5°109.4°
H1CBIH2109.5°109.5°
H1CBIH3109.4°109.5°
H2CBIH3109.5°109.5°
H9CBFH10109.5°109.4°
H11CBGH12109.4°109.4°
H13CALH14109.5°109.5°
H13CALH15109.5°109.5°
H14CALH15109.4°109.5°
H17CBBH18109.5°109.5°
H25C6H26109.5°109.4°
H31CBKH32109.5°109.5°
H34CBOH35109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CARCAQCAPH38180.0°179.7°
CAQCARCASH39180.0°179.7°
CARCAQCAPCAO0.0°0.0°
CAQCARCASCBP0.1°0.5°
CARCAQCAPH37180.0°179.9°
CAQCARCASH40179.9°180.0°
CAPCAQCARCAS0.1°0.3°
CAQCAPCAOH37180.0°179.9°
CAQCAPCAOCBP0.0°0.0°
CAQCAPCAOH36180.0°179.9°
CAPCAQCARH39179.9°180.0°
CARCASCBPH40180.0°179.5°
CARCASCBPCAO0.1°0.5°
CARCASCBPCBO179.7°179.7°
CASCARCAQH38179.9°180.0°
CAPCAOCBPCAS0.1°0.3°
CAPCAOCBPH36180.0°180.0°
CAPCAOCBPCBO179.8°180.0°
CAOCAPCAQH38180.0°179.7°
CASCBPCAOCBO179.8°179.8°
CASCBPCBONBM168.5°90.2°
CASCBPCBOH3447.9°149.8°
CASCBPCBOH3571.0°29.7°
CASCBPCAOH36179.9°179.8°
CBPCASCARH39179.9°179.8°
CAOCBPCBONBM11.4°90.0°
CAOCBPCBOH34131.9°30.0°
CAOCBPCBOH35109.2°150.0°
CBPCAOCAPH37180.0°179.9°
CAOCBPCASH40179.9°180.0°
CBPCBONBMH34120.5°120.0°
CBPCBONBMH35120.5°120.0°
CBPCBONBMNBN89.6°55.1°
CBPCBONBMCAM90.4°125.0°
CBPCBOH34H35118.4°120.0°
CBOCBPCAOH360.2°0.0°
CBOCBPCASH400.3°0.2°
CBONBMNBNCAM180.0°180.0°
CBONBMNBNNAN179.9°180.0°
CBONBMCAMCBL179.9°179.9°
CBONBMCAMH330.1°0.2°
NBMCBOH34H35118.5°120.0°
CBICBHNBAOBJ167.4°179.9°
CBICBHNBACBD179.9°180.0°
CBHCBIH1H2120.0°120.0°
CBHCBIH1H3120.0°119.9°
CBHCBIH2H3120.0°120.0°
CBICBHNBAH40.0°0.1°
NBNNBMCAMCBL0.1°0.1°
NBMNBNNANCBL0.1°0.2°
NBNNBMCAMH33179.8°179.9°
NBNNBMCBOH34149.9°64.9°
NBNNBMCBOH3530.9°175.1°
CAMNBMNBNNAN0.1°0.1°
NBMCAMCBLH33180.0°179.9°
NBMCAMCBLNAN0.1°0.2°
NBMCAMCBLCBK179.9°180.0°
CAMNBMCBOH3430.1°115.0°
CAMNBMCBOH35149.1°5.0°
NBNNANCBLCAM0.0°0.2°
NBNNANCBLCBK180.0°180.0°
OAZCAKCBDNBA62.2°63.2°
OAZCAKCBDCAI117.7°119.9°
OAZCAKCBDH6121.3°120.2°
OAZCAKCAIH6122.9°120.2°
OAZCAKCBDCAX174.6°176.8°
OAZCAKCAIO164.0°63.3°
OAZCAKCAICAJ174.3°176.8°
OAZCAKCBDH556.6°57.0°
OAZCAKCAIH2055.9°57.0°
CBHNBACBDH4180.0°179.9°
CBHNBACBDCAK151.1°155.3°
CBHNBACBDCAX85.9°85.1°
NBACBHCBIH1167.7°180.0°
NBACBHCBIH247.7°60.0°
NBACBHCBIH372.3°60.0°
CBHNBACBDH532.6°35.1°
CBDNBACBHOBJ12.6°0.1°
NBACBDCAKCAX123.2°119.9°
NBACBDCAKH5118.8°120.2°
NBACBDCAKCAI179.9°176.9°
NBACBDCAXH5118.9°120.2°
NBACBDCAXOBC59.4°62.5°
NBACBDCAXOAW179.8°177.5°
NBACBDCAKH659.1°57.0°
NBACBDCAXH859.8°57.5°
CAMCBLNANCBK180.0°179.8°
CAMCBLCBKO338.6°0.1°
CAMCBLCBKH3181.4°120.1°
CAMCBLCBKH32158.6°120.0°
O4C4C3C262.3°62.9°
O4C4C3O357.4°56.9°
O4C4C3C5122.3°119.9°
O4C4C3H28120.0°120.2°
O4C4C5H28120.7°120.2°
O4C4C5O561.2°62.3°
O4C4C5C656.7°57.7°
O4C4C5H24178.5°177.7°
O4C4C3H30179.1°177.2°
OBJCBHCBIH10.0°0.0°
OBJCBHCBIH2120.0°120.0°
OBJCBHCBIH3120.0°119.9°
OBJCBHNBAH4167.4°180.0°
CBDCAKCAIH6121.1°119.9°
CAKCBDCAXH5118.1°119.9°
CBDCAKCAIO1180.0°176.9°
CBDCAKCAICAJ58.4°57.0°
CAKCBDCAXOBC177.6°177.6°
CAKCBDCAXOAW56.9°57.6°
CAKCBDNBAH428.8°24.7°
CBDCAKOAZH7180.0°59.9°
CAKCBDCAXH863.1°62.4°
CBDCAKCAIH2060.0°62.9°
CAICAKCBDCAX56.9°57.0°
CAKCAIO1CAJ120.3°119.7°
CAKCAIO1H20119.4°120.2°
CAKCAIO1C1130.1°140.9°
CAKCAICAJH20118.7°119.9°
CAKCAICAJOAW59.8°57.6°
CAKCAICAJCBB174.6°177.6°
CAICAKCBDH561.1°62.9°
CAICAKOAZH762.5°179.5°
CAKCAICAJH1657.0°62.4°
NANCBLCBKO3141.4°179.7°
NANCBLCBKH3198.5°59.7°
NANCBLCBKH3221.4°60.3°
NANCBLCAMH33179.9°179.8°
CBLCBKO3H31120.0°120.0°
CBLCBKO3H32120.0°120.0°
CBLCBKO3C3170.9°180.0°
CBLCBKH31H32119.9°120.0°
CBKCBLCAMH330.1°0.0°
CBDCAXOBCOAW121.5°120.0°
CBDCAXOBCH8118.6°120.1°
CBDCAXOAWH8119.4°120.1°
CBDCAXOAWCAJ59.2°61.2°
CBDCAXOBCCBF179.4°175.0°
CAXCBDNBAH494.1°95.0°
CAXCBDCAKH664.1°63.0°
CAIO1C1C2173.2°171.0°
O1CAICAJH20121.1°120.2°
CAIO1C1O564.0°69.1°
O1CAICAJOAW180.0°177.5°
O1CAICAJCBB54.3°62.5°
O1CAICAKH658.9°57.0°
O1CAICAJH1663.2°57.5°
CAIO1C1H2156.3°51.0°
O1C1C2O265.8°62.5°
O1C1C2C3179.9°177.6°
O1C1C2O5122.6°119.9°
O1C1C2H21117.6°120.1°
C1O1CAICAJ109.7°99.4°
O1C1O5H21120.3°120.1°
O1C1O5C5179.6°178.9°
C1O1CAIH2010.7°20.7°
O1C1C2H2257.2°57.6°
O2C2C3C1116.5°119.9°
O2C2C3H22121.1°120.2°
O2C2C1H22123.0°120.1°
O2C2C3O363.4°63.3°
O2C2C3C4174.0°176.9°
O2C2C1O5171.6°177.5°
O2C2C1H2151.8°57.5°
O2C2C3H3056.0°57.0°
C3C2C1H22122.7°120.0°
C2C3O3CBK173.5°90.0°
C2C3O3C4120.0°119.5°
C2C3O3H30119.0°120.2°
C2C3C4H30118.6°119.9°
C2C3C4C560.0°57.0°
C3C2C1O557.3°57.7°
C3C2C1H2162.6°62.4°
C3C2O2H23180.0°180.0°
C2C3C4H28177.7°176.9°
C1C2C3O3179.9°176.9°
C1C2C3C457.5°57.0°
C2C1O5H21119.3°120.0°
C2C1O5C559.2°61.2°
C1C2O2H2362.6°60.3°
C1C2C3H3060.6°62.8°
CBKO3C3C466.6°150.5°
CBKO3C3H3054.4°30.2°
O3CBKH31H32119.9°120.0°
O3C3C4H30121.7°120.3°
O3C3C4C5179.7°176.8°
O3C3C2H2257.7°56.9°
O3C3C4H2862.6°63.2°
C3O3CBKH3169.1°60.0°
C3O3CBKH3250.9°60.0°
C3C4C5H28117.8°119.9°
C3C4C5O560.2°57.6°
C3C4C5C6178.2°177.6°
C4C3C2H2264.9°63.0°
C3C4C5H2460.1°62.3°
C3C4O4H29180.0°180.0°
C4C5O5C160.1°61.2°
C4C5O5C6121.3°120.0°
C4C5O5H24119.5°120.0°
C4C5C6H24121.6°120.0°
C4C5C6O6177.9°175.0°
C4C5C6H2562.3°55.0°
C4C5C6H2658.0°64.9°
C5C4O4H2959.2°60.3°
C5C4C3H3058.6°62.8°
CAICAJOAWCAX60.6°61.1°
CAICAJOAWCBB125.3°120.0°
CAICAJOAWH16116.1°119.9°
CAICAJCBBH16117.4°120.0°
CAICAJCBBOBE63.5°175.1°
CAJCAICAKH662.7°62.9°
CAICAJCBBH17176.5°55.1°
CAICAJCBBH1856.4°64.9°
C1O5C5C6178.6°178.8°
O5C1C2H2265.4°62.3°
C1O5C5H2459.3°58.8°
O5C5C6H24120.0°120.1°
O5C5C6O659.4°65.0°
C5O5C1H2160.0°58.8°
O5C5C6H25179.3°174.9°
O5C5C6H2660.5°55.0°
O5C5C4H28178.0°177.5°
OBCCAXOAWH8120.0°119.9°
OBCCAXOAWCAJ179.8°178.8°
CAXOBCCBFCBG178.7°180.0°
OBCCAXCBDH559.5°57.6°
CAXOBCCBFH961.4°59.9°
CAXOBCCBFH1058.8°60.0°
CAXOAWCAJCBB174.1°178.9°
OAWCAXOBCCBF59.1°65.0°
OAWCAXCBDH561.3°62.3°
CAXOAWCAJH1655.5°58.8°
C5C6O6H25119.8°120.0°
C5C6O6H26119.9°120.0°
C5C6H25H26120.4°120.0°
C5C6O6H27180.0°179.9°
C6C5C4H2864.0°62.5°
O6C6C5H2460.6°55.0°
O6C6H25H26120.4°120.0°
OAWCAJCBBH16119.1°120.0°
OAWCAJCBBOBE60.0°64.9°
CAJOAWCAXH860.2°58.9°
OAWCAJCBBH1760.0°175.1°
OAWCAJCBBH18180.0°55.1°
OAWCAJCAIH2058.9°62.3°
CAJCBBOBEH17119.9°120.0°
CAJCBBOBEH18120.0°120.0°
CAJCBBH17H18120.1°120.0°
CAJCBBOBEH19180.0°180.0°
CBBCAJCAIH2066.8°57.7°
OBCCBFCBGH9119.9°120.0°
OBCCBFCBGH10119.9°120.0°
OBCCBFCBGCAL176.8°180.0°
CBFOBCCAXH860.9°54.9°
OBCCBFH9H10120.3°120.0°
OBCCBFCBGH1162.2°60.0°
OBCCBFCBGH1255.9°60.0°
CBFCBGCALH11121.0°120.1°
CBFCBGCALH12120.9°120.0°
CBGCBFH9H10120.3°120.0°
CBFCBGH11H12117.0°120.0°
CBFCBGCALH13180.0°180.0°
CBFCBGCALH1460.0°60.0°
CBFCBGCALH1560.0°60.0°
OBECBBCAJH16179.1°55.1°
OBECBBH17H18120.1°120.0°
CALCBGCBFH956.9°59.9°
CALCBGCBFH1063.3°60.0°
CALCBGH11H12117.1°120.0°
CBGCALH13H14120.0°120.0°
CBGCALH13H15120.0°120.0°
CBGCALH14H15120.0°120.0°
H1CBIH2H3120.0°120.0°
H4NBACBDH5147.3°144.9°
H5CBDCAKH6177.9°177.2°
H5CBDCAXH8178.7°177.7°
H6CAKOAZH759.6°60.2°
H6CAKCAIH20178.9°177.2°
H9CBFCBGH11177.9°180.0°
H9CBFCBGH1264.0°60.0°
H10CBFCBGH1157.7°60.0°
H10CBFCBGH12175.8°180.0°
H11CBGCALH1359.0°60.0°
H11CBGCALH14179.1°179.9°
H11CBGCALH1561.0°60.0°
H12CBGCALH1359.1°60.0°
H12CBGCALH1461.0°60.0°
H12CBGCALH15179.1°180.0°
H13CALH14H15120.0°120.0°
H16CAJCBBH1759.1°64.9°
H16CAJCBBH1861.0°175.1°
H16CAJCAIH20175.7°177.7°
H17CBBOBEH1960.1°60.0°
H18CBBOBEH1960.0°60.0°
H21C1C2H22174.8°177.7°
H22C2O2H2359.5°59.8°
H22C2C3H30177.1°177.2°
H24C5C6H2559.3°65.0°
H24C5C6H26179.6°175.0°
H24C5C4H2857.7°57.6°
H25C6O6H2760.2°60.1°
H26C6O6H2760.1°59.9°
H28C4O4H2960.7°59.9°
H28C4C3H3059.1°57.1°
H36CAOCAPH370.0°0.0°
H37CAPCAQH380.0°0.2°
H38CAQCARH390.1°0.3°
H39CARCASH400.1°0.3°

248636

PDB entries from 2026-02-04

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