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R39

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAOCARsing1.53Å1.54Å
CARNBGsing1.47Å1.48Å
CARHARsing1.09Å1.10Å
CARHARAsing1.09Å1.10Å
CAOOAXsing1.43Å1.45Å
CAOHAOsing1.09Å1.10Å
CAOHAOAsing1.09Å1.10Å
OAXCAPsing1.43Å1.44Å
CASCAPsing1.53Å1.54Å
CAPHAPsing1.09Å1.10Å
CAPHAPAsing1.09Å1.10Å
NBGCASsing1.47Å1.48Å
CASHASsing1.09Å1.10Å
CASHASAsing1.09Å1.10Å
CATNBGsing1.47Å1.46Å
CATCAQsing1.53Å1.52Å
CATHATsing1.09Å1.10Å
CATHATAsing1.09Å1.10Å
CAQOAYsing1.43Å1.44Å
CAQHAQsing1.09Å1.10Å
CAQHAQAsing1.09Å1.10Å
OAYCBCsing1.36Å1.36Å
CAJCBCdoub1.39Å1.39ÅAromatic
CBCCAKsing1.39Å1.38ÅAromatic
CAKCAIdoub1.38Å1.39ÅAromatic
CAKHAKsing1.08Å1.08Å
CBBCAIsing1.39Å1.37ÅAromatic
CAIHAIsing1.08Å1.08Å
CAJCAHsing1.38Å1.40ÅAromatic
CAJHAJsing1.08Å1.08Å
CAHCBBdoub1.39Å1.40ÅAromatic
CAHHAHsing1.08Å1.08Å
CBBNAVsing1.40Å1.36Å
NAVCAZsing1.35Å1.32Å
NAVHNAVsing0.97Å1.00Å
OAECAZdoub1.22Å1.24Å
CAZNAWsing1.35Å1.35Å
NAWCBEsing1.39Å1.35Å
NAWHNAWsing0.97Å1.00Å
CBECANdoub1.36Å1.36ÅAromatic
CBENBHsing1.36Å1.34ÅAromatic
CANCBFsing1.40Å1.35ÅAromatic
CANHANsing1.08Å1.08Å
CBFNAUdoub1.31Å1.34ÅAromatic
CBFCBIsing1.51Å1.54Å
CADCBIsing1.53Å1.52Å
CBICACsing1.53Å1.53Å
CBICABsing1.53Å1.55Å
CACHACsing1.09Å1.10Å
CACHACAsing1.09Å1.10Å
CACHACBsing1.09Å1.10Å
CADHADsing1.09Å1.10Å
CADHADAsing1.09Å1.10Å
CADHADBsing1.09Å1.10Å
CABHABsing1.09Å1.10Å
CABHABAsing1.09Å1.10Å
CABHABBsing1.09Å1.10Å
NBHNAUsing1.40Å1.25ÅAromatic
NBHCBDsing1.40Å1.36ÅAromatic
CALCBDdoub1.39Å1.40ÅAromatic
CBDCAMsing1.39Å1.42ÅAromatic
CALCAFsing1.38Å1.41ÅAromatic
CALHALsing1.08Å1.08Å
CAFCBAdoub1.38Å1.40ÅAromatic
CAFHAFsing1.08Å1.08Å
CBACAAsing1.51Å1.53Å
CBACAGsing1.38Å1.40ÅAromatic
CAAHAAsing1.09Å1.10Å
CAAHAAAsing1.09Å1.10Å
CAAHAABsing1.09Å1.10Å
CAMCAGdoub1.38Å1.41ÅAromatic
CAGHAGsing1.08Å1.08Å
CAMHAMsing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CAOCARNBG110.1°109.3°
CAOCARHAR109.3°109.5°
CAOCARHARA109.1°109.5°
CARCAOOAX107.6°109.2°
CARCAOHAO110.1°109.5°
CARCAOHAOA110.5°109.5°
NBGCARHAR109.2°109.5°
NBGCARHARA109.1°109.5°
CARNBGCAS115.0°110.7°
CARNBGCAT106.9°111.0°
HARCARHARA110.0°109.5°
OAXCAOHAO110.1°109.5°
OAXCAOHAOA110.5°109.5°
CAOOAXCAP115.2°113.7°
HAOCAOHAOA108.0°109.5°
OAXCAPCAS112.6°109.2°
OAXCAPHAP108.4°109.5°
OAXCAPHAPA107.7°109.5°
CASCAPHAP108.5°109.5°
CASCAPHAPA107.7°109.6°
CAPCASNBG111.5°109.2°
CAPCASHAS108.8°109.5°
CAPCASHASA108.4°109.5°
HAPCAPHAPA112.0°109.5°
NBGCASHAS108.8°109.5°
NBGCASHASA108.3°109.6°
CASNBGCAT110.8°111.0°
HASCASHASA111.1°109.5°
NBGCATCAQ108.6°109.5°
NBGCATHAT109.8°109.4°
NBGCATHATA110.0°109.5°
CAQCATHAT109.8°109.4°
CAQCATHATA110.0°109.5°
CATCAQOAY103.7°109.5°
CATCAQHAQ111.4°109.5°
CATCAQHAQA112.7°109.4°
HATCATHATA108.8°109.5°
OAYCAQHAQ111.5°109.5°
OAYCAQHAQA112.7°109.4°
CAQOAYCBC114.2°117.0°
HAQCAQHAQA105.1°109.5°
OAYCBCCAJ123.9°120.0°
OAYCBCCAK116.8°120.0°
CAJCBCCAK119.3°120.1°
CBCCAJCAH118.7°120.0°
CBCCAJHAJ120.7°120.0°
CBCCAKCAI121.3°120.0°
CBCCAKHAK119.3°120.0°
CAICAKHAK119.4°120.0°
CAKCAICBB120.3°119.9°
CAKCAIHAI119.8°120.0°
CBBCAIHAI119.8°120.1°
CAICBBCAH118.5°120.0°
CAICBBNAV122.2°120.0°
CAHCAJHAJ120.7°120.0°
CAJCAHCBB121.9°120.0°
CAJCAHHAH119.0°120.0°
CBBCAHHAH119.1°120.0°
CAHCBBNAV119.3°120.0°
CBBNAVCAZ123.2°120.0°
CBBNAVHNAV118.4°120.0°
CAZNAVHNAV118.4°120.0°
NAVCAZOAE120.6°120.0°
NAVCAZNAW117.1°120.0°
OAECAZNAW122.2°120.0°
CAZNAWCBE125.2°120.0°
CAZNAWHNAW117.4°120.0°
CBENAWHNAW117.4°120.1°
NAWCBECAN128.8°126.3°
NAWCBENBH123.4°126.2°
CANCBENBH107.7°107.4°
CBECANCBF104.4°107.9°
CBECANHAN127.8°126.1°
CBENBHNAU110.2°107.8°
CBENBHCBD126.7°126.1°
CBFCANHAN127.8°126.1°
CANCBFNAU109.1°108.5°
CANCBFCBI128.4°125.7°
NAUCBFCBI122.6°125.8°
CBFNAUNBH108.6°108.4°
CBFCBICAD110.2°109.5°
CBFCBICAC112.4°109.5°
CBFCBICAB108.6°109.5°
CADCBICAC107.3°109.4°
CADCBICAB111.1°109.4°
CBICADHAD109.5°109.5°
CBICADHADA109.5°109.5°
CBICADHADB109.5°109.5°
CACCBICAB107.3°109.5°
CBICACHAC109.5°109.4°
CBICACHACA109.4°109.5°
CBICACHACB109.5°109.5°
CBICABHAB109.5°109.4°
CBICABHABA109.5°109.5°
CBICABHABB109.5°109.5°
HACCACHACA109.5°109.5°
HACCACHACB109.4°109.5°
HACACACHACB109.5°109.5°
HADCADHADA109.4°109.4°
HADCADHADB109.5°109.4°
HADACADHADB109.5°109.5°
HABCABHABA109.5°109.5°
HABCABHABB109.5°109.4°
HABACABHABB109.5°109.5°
NAUNBHCBD123.0°126.1°
NBHCBDCAL121.0°120.0°
NBHCBDCAM118.9°120.0°
CALCBDCAM120.1°119.9°
CBDCALCAF120.3°119.9°
CBDCALHAL119.9°120.1°
CBDCAMCAG120.0°119.9°
CBDCAMHAM120.0°120.0°
CAFCALHAL119.9°120.0°
CALCAFCBA119.1°120.1°
CALCAFHAF120.4°120.0°
CBACAFHAF120.5°119.9°
CAFCBACAA119.6°119.9°
CAFCBACAG121.5°120.1°
CAACBACAG118.9°119.9°
CBACAAHAA109.5°109.5°
CBACAAHAAA109.4°109.5°
CBACAAHAAB109.4°109.5°
CBACAGCAM119.0°120.1°
CBACAGHAG120.5°120.0°
HAACAAHAAA109.5°109.4°
HAACAAHAAB109.5°109.4°
HAAACAAHAAB109.5°109.5°
CAMCAGHAG120.5°119.9°
CAGCAMHAM120.0°120.1°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CAOCARNBGHAR120.0°120.0°
CAOCARNBGHARA119.7°119.9°
CAOCARHARHARA119.7°120.1°
CARCAOOAXHAO120.0°119.9°
CARCAOOAXHAOA120.8°119.9°
CARCAOHAOHAOA120.8°120.2°
CARCAOOAXCAP56.1°58.7°
CAOCARNBGCAS12.1°58.7°
CAOCARNBGCAT111.3°177.6°
NBGCARHARHARA119.7°120.1°
NBGCARCAOOAX61.6°56.9°
NBGCARCAOHAO178.4°63.0°
NBGCARCAOHAOA59.2°176.8°
CARNBGCASCAP41.1°58.6°
CARNBGCASCAT121.3°123.7°
CARNBGCASHAS161.1°178.5°
CARNBGCASHASA78.0°61.3°
CARNBGCATCAQ145.2°75.6°
CARNBGCATHAT94.8°164.5°
CARNBGCATHATA24.8°44.5°
HARCARCAOOAX178.4°63.1°
HARCARCAOHAO58.4°177.0°
HARCARCAOHAOA60.8°56.8°
HARCARNBGCAS132.2°61.3°
HARCARNBGCAT8.7°62.4°
HARACARCAOOAX58.1°176.8°
HARACARCAOHAO61.9°56.9°
HARACARCAOHAOA178.9°63.2°
HARACARNBGCAS107.6°178.6°
HARACARNBGCAT129.0°57.6°
OAXCAOHAOHAOA120.8°120.1°
CAOOAXCAPCAS1.9°58.7°
CAOOAXCAPHAP121.9°61.2°
CAOOAXCAPHAPA116.7°178.7°
HAOCAOOAXCAP176.1°61.3°
HAOACAOOAXCAP64.7°178.6°
OAXCAPCASHAP120.0°119.9°
OAXCAPCASHAPA118.7°120.0°
OAXCAPHAPHAPA118.7°120.1°
OAXCAPCASNBG48.1°56.9°
OAXCAPCASHAS168.1°176.7°
OAXCAPCASHASA71.0°63.1°
CASCAPHAPHAPA118.7°120.2°
CAPCASNBGHAS120.0°119.9°
CAPCASNBGHASA119.2°120.0°
CAPCASHASHASA119.2°120.1°
CAPCASNBGCAT162.5°177.6°
HAPCAPCASNBG71.9°63.0°
HAPCAPCASHAS48.1°56.8°
HAPCAPCASHASA169.0°177.0°
HAPACAPCASNBG166.8°176.8°
HAPACAPCASHAS73.2°63.3°
HAPACAPCASHASA47.6°56.8°
NBGCASHASHASA119.2°120.2°
CASNBGCATCAQ88.8°160.8°
CASNBGCATHAT31.2°40.9°
CASNBGCATHATA150.8°79.1°
HASCASNBGCAT77.5°57.7°
HASACASNBGCAT43.3°62.4°
NBGCATCAQHAT120.0°120.0°
NBGCATCAQHATA120.4°120.0°
NBGCATHATHATA120.4°120.0°
NBGCATCAQOAY81.8°65.3°
NBGCATCAQHAQ158.1°174.7°
NBGCATCAQHAQA40.3°54.6°
CAQCATHATHATA120.4°120.0°
CATCAQOAYHAQ120.0°120.1°
CATCAQOAYHAQA122.2°119.9°
CATCAQHAQHAQA122.3°120.0°
CATCAQOAYCBC155.9°180.0°
HATCATCAQOAY38.2°54.6°
HATCATCAQHAQ81.8°65.4°
HATCATCAQHAQA160.3°174.6°
HATACATCAQOAY157.8°174.7°
HATACATCAQHAQ37.8°54.6°
HATACATCAQHAQA80.0°65.4°
OAYCAQHAQHAQA122.4°120.0°
CAQOAYCBCCAJ5.2°0.2°
CAQOAYCBCCAK175.5°180.0°
HAQCAQOAYCBC84.1°59.9°
HAQACAQOAYCBC33.7°60.1°
OAYCBCCAJCAK179.3°179.8°
OAYCBCCAKCAI179.8°180.0°
OAYCBCCAKHAK0.2°0.0°
OAYCBCCAJCAH179.5°180.0°
OAYCBCCAJHAJ0.4°0.1°
CAJCBCCAKCAI0.8°0.2°
CAJCBCCAKHAK179.2°179.8°
CBCCAJCAHHAJ180.0°179.8°
CBCCAJCAHCBB0.2°0.1°
CBCCAJCAHHAH179.8°180.0°
CBCCAKCAIHAK180.0°180.0°
CBCCAKCAICBB1.0°0.1°
CBCCAKCAIHAI179.1°180.0°
CAKCBCCAJCAH0.2°0.1°
CAKCBCCAJHAJ179.8°179.7°
CAKCAICBBHAI180.0°179.9°
CAKCAICBBCAH0.5°0.3°
CAKCAICBBNAV179.1°179.9°
HAKCAKCAICBB179.0°180.0°
HAKCAKCAIHAI0.9°0.0°
CAICBBCAHCAJ0.0°0.4°
CAICBBCAHNAV179.6°179.7°
CAICBBCAHHAH180.0°179.8°
CAICBBNAVCAZ109.2°33.0°
CAICBBNAVHNAV70.7°146.9°
HAICAICBBCAH179.5°179.7°
HAICAICBBNAV0.9°0.0°
CAJCAHCBBHAH180.0°179.9°
CAJCAHCBBNAV179.6°179.9°
HAJCAJCAHCBB179.8°180.0°
HAJCAJCAHHAH0.2°0.1°
CAHCBBNAVCAZ71.1°147.2°
CAHCBBNAVHNAV108.9°32.9°
HAHCAHCBBNAV0.4°0.0°
CBBNAVCAZHNAV180.0°179.9°
CBBNAVCAZOAE5.1°5.3°
CBBNAVCAZNAW178.0°174.8°
NAVCAZOAENAW176.7°179.9°
NAVCAZNAWCBE178.8°179.9°
NAVCAZNAWHNAW1.2°0.1°
HNAVNAVCAZOAE174.9°174.8°
HNAVNAVCAZNAW2.0°5.1°
OAECAZNAWCBE2.0°0.0°
OAECAZNAWHNAW178.0°180.0°
CAZNAWCBEHNAW180.0°180.0°
CAZNAWCBECAN33.7°0.0°
CAZNAWCBENBH149.8°179.7°
NAWCBECANNBH176.9°179.7°
NAWCBECANCBF177.7°180.0°
NAWCBECANHAN2.3°0.0°
NAWCBENBHNAU178.1°179.9°
NAWCBENBHCBD2.4°0.1°
HNAWNAWCBECAN146.3°180.0°
HNAWNAWCBENBH30.2°0.3°
CBECANCBFHAN180.0°180.0°
CBECANCBFNAU0.3°0.0°
CBECANCBFCBI179.0°180.0°
CANCBENBHNAU1.0°0.4°
CANCBENBHCBD179.5°179.7°
NBHCBECANCBF0.8°0.3°
NBHCBECANHAN179.2°179.7°
CBENBHNAUCBF0.8°0.4°
CBENBHNAUCBD179.5°179.8°
CBENBHCBDCAL46.5°34.8°
CBENBHCBDCAM135.6°145.0°
CANCBFNAUCBI179.4°180.0°
CANCBFCBICAD50.3°165.0°
CANCBFCBICAC169.9°75.0°
CANCBFCBICAB71.6°45.0°
CANCBFNAUNBH0.2°0.2°
HANCANCBFNAU179.7°180.0°
HANCANCBFCBI1.0°0.0°
NAUCBFCBICAD129.0°15.0°
NAUCBFCBICAC9.4°105.0°
NAUCBFCBICAB109.1°135.0°
CBFNAUNBHCBD179.7°179.8°
CBFCBICADCAC122.6°120.0°
CBFCBICADCAB120.4°120.0°
CBFCBICACCAB119.3°120.0°
CBFCBICACHAC101.1°60.0°
CBFCBICACHACA138.8°180.0°
CBFCBICACHACB18.8°60.0°
CBFCBICADHAD22.6°60.0°
CBFCBICADHADA142.6°180.0°
CBFCBICADHADB97.4°60.0°
CBFCBICABHAB83.1°60.0°
CBFCBICABHABA156.9°180.0°
CBFCBICABHABB36.9°60.0°
CBICBFNAUNBH179.7°179.7°
CADCBICACCAB119.5°119.9°
CADCBICACHAC20.1°60.0°
CADCBICACHACA99.9°60.0°
CADCBICACHACB140.0°180.0°
CBICADHADHADA120.0°120.1°
CBICADHADHADB120.0°120.0°
CBICADHADAHADB120.0°120.0°
CADCBICABHAB155.6°180.0°
CADCBICABHABA35.6°60.0°
CADCBICABHABB84.4°60.1°
CBICACHACHACA120.0°120.0°
CBICACHACHACB120.0°120.0°
CBICACHACAHACB120.0°120.0°
CACCBICADHAD145.2°180.0°
CACCBICADHADA94.8°60.0°
CACCBICADHADB25.2°60.0°
CACCBICABHAB38.6°60.1°
CACCBICABHABA81.4°59.9°
CACCBICABHABB158.6°180.0°
CABCBICACHAC139.6°180.0°
CABCBICACHACA19.6°59.9°
CABCBICACHACB100.5°60.1°
CABCBICADHAD97.7°60.1°
CABCBICADHADA22.2°59.9°
CABCBICADHADB142.3°180.0°
CBICABHABHABA120.0°120.0°
CBICABHABHABB120.0°120.0°
CBICABHABAHABB120.0°120.0°
HACCACHACAHACB120.0°120.0°
HADCADHADAHADB120.0°119.9°
HABCABHABAHABB120.0°120.0°
NAUNBHCBDCAL132.9°145.4°
NAUNBHCBDCAM45.0°34.8°
NBHCBDCALCAM177.9°179.8°
NBHCBDCALCAF178.4°180.0°
NBHCBDCALHAL1.6°0.0°
NBHCBDCAMCAG178.8°179.7°
NBHCBDCAMHAM1.2°0.1°
CBDCALCAFHAL180.0°180.0°
CBDCALCAFCBA0.5°0.0°
CBDCALCAFHAF179.5°180.0°
CALCBDCAMCAG0.9°0.5°
CALCBDCAMHAM179.2°179.7°
CAMCBDCALCAF0.5°0.3°
CAMCBDCALHAL179.5°179.7°
CBDCAMCAGCBA0.3°0.5°
CBDCAMCAGHAM180.0°179.7°
CBDCAMCAGHAG179.7°179.7°
CALCAFCBAHAF180.0°180.0°
CALCAFCBACAA179.9°180.0°
CALCAFCBACAG1.1°0.0°
HALCALCAFCBA179.5°180.0°
HALCALCAFHAF0.5°0.1°
CAFCBACAACAG178.8°180.0°
CAFCBACAAHAA10.5°90.0°
CAFCBACAAHAAA130.5°150.0°
CAFCBACAAHAAB109.5°29.9°
CAFCBACAGCAM0.8°0.3°
CAFCBACAGHAG179.2°180.0°
HAFCAFCBACAA0.1°0.0°
HAFCAFCBACAG178.8°180.0°
CBACAAHAAHAAA120.0°120.0°
CBACAAHAAHAAB120.0°120.0°
CBACAAHAAAHAAB120.0°120.1°
CAACBACAGCAM179.5°179.7°
CAACBACAGHAG0.5°0.0°
CAGCBACAAHAA168.2°90.0°
CAGCBACAAHAAA48.3°30.0°
CAGCBACAAHAAB71.8°150.1°
CBACAGCAMHAG180.0°179.8°
CBACAGCAMHAM179.8°179.7°
HAACAAHAAAHAAB120.0°119.9°
HAGCAGCAMHAM0.2°0.1°

219869

PDB entries from 2024-05-15

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