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KGU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAFCAZdoub1.22Å1.23Å
OAECAYdoub1.22Å1.24Å
CAZCAYsing1.49Å1.40Å
CAZNBGsing1.35Å1.35Å
CABCAMsing1.53Å1.53Å
CAYNBFsing1.35Å1.35Å
CAMNBGsing1.46Å1.48Å
CAACALsing1.53Å1.53Å
NBGCBBsing1.39Å1.35Å
NBFCALsing1.47Å1.49Å
NBFCBAsing1.39Å1.36Å
CBBCBAdoub1.40Å1.39ÅAromatic
CBBCAHsing1.39Å1.40ÅAromatic
CBACAGsing1.39Å1.40ÅAromatic
CAHCAXdoub1.38Å1.39ÅAromatic
CAGCAWdoub1.38Å1.40ÅAromatic
CAXCAWsing1.40Å1.40ÅAromatic
CAXNBEsing1.40Å1.36Å
CAWNAUsing1.40Å1.35Å
CAONBEsing1.47Å1.49Å
CAOCAKsing1.53Å1.52Å
NBECANsing1.47Å1.49Å
OCdoub1.21Å1.23Å
NAUCsing1.35Å1.35Å
CAKCAIsing1.53Å1.51Å
CCAsing1.51Å1.54Å
CARCAPsing1.53Å1.52Å
CARNsing1.47Å1.47Å
CAPNBCsing1.47Å1.47Å
CANCAJsing1.53Å1.52Å
CAICAJsing1.53Å1.51Å
CANsing1.47Å1.47Å
NCASsing1.47Å1.47Å
NBCCACsing1.47Å1.47Å
NBCCAQsing1.47Å1.47Å
CASCAQsing1.53Å1.52Å
CAH2sing1.09Å1.10Å
CAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CAAH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CABH8sing1.09Å1.10Å
CABH9sing1.09Å1.10Å
CACH10sing1.09Å1.10Å
CACH11sing1.09Å1.10Å
CACH12sing1.09Å1.10Å
CAGH13sing1.08Å1.08Å
CAHH14sing1.08Å1.08Å
CAIH15sing1.09Å1.10Å
CAIH16sing1.09Å1.10Å
CAJH17sing1.09Å1.10Å
CAJH18sing1.09Å1.10Å
CAKH19sing1.09Å1.10Å
CAKH20sing1.09Å1.10Å
CALH21sing1.09Å1.10Å
CALH22sing1.09Å1.10Å
CAMH23sing1.09Å1.10Å
CAMH24sing1.09Å1.10Å
CANH25sing1.09Å1.10Å
CANH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
CAOH28sing1.09Å1.10Å
CAPH29sing1.09Å1.10Å
CAPH30sing1.09Å1.10Å
CAQH31sing1.09Å1.10Å
CAQH32sing1.09Å1.10Å
CARH33sing1.09Å1.10Å
CARH34sing1.09Å1.10Å
CASH35sing1.09Å1.10Å
CASH36sing1.09Å1.10Å
NAUH37sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAFCAZCAY120.3°120.4°
OAFCAZNBG120.3°120.3°
OAECAYCAZ120.3°120.3°
OAECAYNBF119.6°120.3°
CAYCAZNBG119.4°119.4°
CAZCAYNBF120.0°119.4°
CAZNBGCAM118.4°120.0°
CAZNBGCBB120.9°120.0°
CABCAMNBG111.0°109.4°
CAMCABH7109.5°109.5°
CAMCABH8109.5°109.5°
CAMCABH9109.5°109.4°
CABCAMH23109.1°109.4°
CABCAMH24109.1°109.4°
CAYNBFCAL119.8°120.0°
CAYNBFCBA120.0°120.1°
CAMNBGCBB120.7°120.0°
NBGCAMH23109.1°109.5°
NBGCAMH24109.1°109.5°
CAACALNBF111.8°109.5°
CALCAAH4109.5°109.5°
CALCAAH5109.5°109.5°
CALCAAH6109.5°109.5°
CAACALH21108.9°109.5°
CAACALH22108.9°109.5°
NBGCBBCBA119.6°120.6°
NBGCBBCAH120.9°119.5°
CALNBFCBA120.2°119.9°
NBFCALH21108.9°109.4°
NBFCALH22108.9°109.5°
NBFCBACBB120.1°120.5°
NBFCBACAG120.9°119.6°
CBACBBCAH119.5°119.9°
CBBCBACAG119.0°119.9°
CBBCAHCAX121.8°120.0°
CBBCAHH14119.1°120.0°
CBACAGCAW121.6°120.1°
CBACAGH13119.2°120.0°
CAHCAXCAW119.1°120.1°
CAHCAXNBE117.3°120.0°
CAXCAHH14119.1°120.0°
CAGCAWCAX119.0°120.0°
CAGCAWNAU125.7°120.0°
CAWCAGH13119.2°119.9°
CAWCAXNBE123.6°120.0°
CAXCAWNAU115.2°120.0°
CAXNBECAO119.2°111.0°
CAXNBECAN119.9°111.0°
CAWNAUC126.0°120.0°
CAWNAUH37117.0°120.0°
NBECAOCAK113.2°109.5°
CAONBECAN119.1°111.2°
NBECAOH27108.5°109.5°
NBECAOH28108.5°109.4°
CAOCAKCAI109.8°109.3°
CAOCAKH19109.4°109.5°
CAOCAKH20109.4°109.5°
CAKCAOH27108.5°109.5°
CAKCAOH28108.5°109.5°
NBECANCAJ113.4°109.5°
NBECANH25108.5°109.5°
NBECANH26108.5°109.4°
OCNAU126.7°120.0°
OCCA120.0°120.0°
NAUCCA113.2°120.0°
CNAUH37117.0°120.0°
CAKCAICAJ108.0°109.2°
CAKCAIH15109.8°109.5°
CAKCAIH16109.9°109.6°
CAICAKH19109.4°109.5°
CAICAKH20109.4°109.5°
CCAN109.5°109.5°
CCAH2109.5°109.5°
CCAH3109.4°109.4°
CAPCARN110.3°109.3°
CARCAPNBC110.8°109.3°
CARCAPH29109.1°109.5°
CARCAPH30109.2°109.5°
CAPCARH33109.3°109.4°
CAPCARH34109.3°109.5°
CARNCA111.3°111.0°
CARNCAS108.9°110.9°
NCARH33109.3°109.5°
NCARH34109.3°109.5°
CAPNBCCAC109.4°111.0°
CAPNBCCAQ109.8°110.9°
NBCCAPH29109.1°109.5°
NBCCAPH30109.1°109.5°
CANCAJCAI109.3°109.3°
CANCAJH17109.5°109.5°
CANCAJH18109.5°109.5°
CAJCANH25108.5°109.5°
CAJCANH26108.5°109.5°
CAJCAIH15109.9°109.5°
CAJCAIH16109.8°109.5°
CAICAJH17109.5°109.5°
CAICAJH18109.5°109.5°
CANCAS111.3°111.0°
NCAH2109.5°109.5°
NCAH3109.5°109.5°
NCASCAQ110.1°109.3°
NCASH35109.3°109.5°
NCASH36109.3°109.5°
CACNBCCAQ109.6°111.0°
NBCCACH10109.5°109.4°
NBCCACH11109.5°109.5°
NBCCACH12109.5°109.4°
NBCCAQCAS110.9°109.4°
NBCCAQH31109.1°109.4°
NBCCAQH32109.1°109.5°
CASCAQH31109.1°109.5°
CASCAQH32109.1°109.5°
CAQCASH35109.3°109.5°
CAQCASH36109.3°109.5°
H2CAH3109.5°109.4°
H4CAAH5109.4°109.5°
H4CAAH6109.5°109.5°
H5CAAH6109.5°109.5°
H7CABH8109.5°109.5°
H7CABH9109.5°109.5°
H8CABH9109.5°109.5°
H10CACH11109.5°109.5°
H10CACH12109.5°109.5°
H11CACH12109.4°109.6°
H15CAIH16109.5°109.5°
H17CAJH18109.5°109.5°
H19CAKH20109.5°109.5°
H21CALH22109.5°109.5°
H23CAMH24109.4°109.5°
H25CANH26109.4°109.5°
H27CAOH28109.5°109.5°
H29CAPH30109.5°109.5°
H31CAQH32109.5°109.5°
H33CARH34109.5°109.5°
H35CASH36109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAFCAZCAYOAE1.6°0.0°
OAFCAZCAYNBG179.2°179.9°
OAFCAZCAYNBF178.4°180.0°
OAFCAZNBGCAM0.8°0.1°
OAFCAZNBGCBB177.8°180.0°
OAECAYCAZNBF180.0°180.0°
OAECAYCAZNBG179.2°179.9°
OAECAYNBFCAL0.5°0.1°
OAECAYNBFCBA179.7°180.0°
CAYCAZNBGCAM180.0°180.0°
CAYCAZNBGCBB1.4°0.1°
CAZCAYNBFCAL179.5°180.0°
CAZCAYNBFCBA0.3°0.0°
CAZNBGCAMCAB89.1°90.1°
NBGCAZCAYNBF0.8°0.1°
CAZNBGCAMCBB178.6°179.9°
CAZNBGCBBCBA1.0°0.1°
CAZNBGCBBCAH179.0°179.6°
CAZNBGCAMH2331.2°29.9°
CAZNBGCAMH24150.7°150.0°
CABCAMNBGH23120.2°119.9°
CABCAMNBGH24120.2°120.0°
CABCAMNBGCBB89.5°90.0°
CAMCABH7H8120.0°120.0°
CAMCABH7H9120.0°120.0°
CAMCABH8H9120.0°120.0°
CABCAMH23H24119.3°120.0°
CAYNBFCALCAA96.0°90.0°
CAYNBFCALCBA179.2°180.0°
CAYNBFCBACBB0.8°0.1°
CAYNBFCBACAG179.6°180.0°
CAYNBFCALH21143.6°30.0°
CAYNBFCALH2224.3°150.0°
CAMNBGCBBCBA179.5°180.0°
CAMNBGCBBCAH0.4°0.5°
NBGCAMCABH7180.0°60.0°
NBGCAMCABH860.0°180.0°
NBGCAMCABH960.0°60.0°
NBGCAMH23H24119.3°120.1°
CAACALNBFH21120.4°120.0°
CAACALNBFH22120.3°120.1°
CAACALNBFCBA83.1°90.0°
CALCAAH4H5120.0°120.0°
CALCAAH4H6120.0°120.0°
CALCAAH5H6120.0°120.0°
CAACALH21H22118.9°120.0°
NBGCBBCBANBF0.2°0.0°
NBGCBBCBACAH179.9°179.5°
NBGCBBCBACAG179.7°179.9°
NBGCBBCAHCAX179.5°179.8°
NBGCBBCAHH140.5°0.2°
CBBNBGCAMH23150.3°150.0°
CBBNBGCAMH2430.7°29.9°
CALNBFCBACBB180.0°180.0°
CALNBFCBACAG0.5°0.1°
NBFCALCAAH4180.0°60.0°
NBFCALCAAH560.0°60.0°
NBFCALCAAH660.0°180.0°
NBFCALH21H22118.9°120.0°
NBFCBACBBCAG179.6°179.9°
NBFCBACBBCAH179.9°179.5°
NBFCBACAGCAW179.6°180.0°
NBFCBACAGH130.4°0.3°
CBANBFCALH2137.2°150.0°
CBANBFCALH22156.5°30.1°
CBACBBCAHCAX0.4°0.7°
CBBCBACAGCAW0.0°0.1°
CBBCBACAGH13179.9°179.8°
CBACBBCAHH14179.6°179.7°
CAHCBBCBACAG0.3°0.4°
CBBCAHCAXH14180.0°179.6°
CBBCAHCAXCAW1.4°0.4°
CBBCAHCAXNBE178.9°179.5°
CBACAGCAWH13180.0°179.7°
CBACAGCAWCAX1.0°0.3°
CBACAGCAWNAU178.4°179.8°
CAHCAXCAWCAG1.7°0.0°
CAHCAXCAWNBE177.3°180.0°
CAHCAXCAWNAU179.3°180.0°
CAHCAXNBECAO47.4°60.0°
CAHCAXNBECAN117.2°64.2°
CAGCAWCAXNAU177.7°179.9°
CAGCAWCAXNBE179.0°180.0°
CAGCAWNAUC1.2°24.8°
CAGCAWNAUH37178.8°155.2°
CAWCAXNBECAO135.2°120.0°
CAWCAXNBECAN60.2°115.8°
CAXCAWNAUC178.7°155.1°
CAXCAWCAGH13179.1°180.0°
CAWCAXCAHH14178.6°179.9°
CAXCAWNAUH371.3°24.9°
NBECAXCAWNAU3.3°0.1°
CAXNBECAOCAN164.7°124.1°
CAXNBECAOCAK160.5°174.2°
CAXNBECANCAJ160.1°174.2°
NBECAXCAHH141.1°0.1°
CAXNBECANH2539.5°65.8°
CAXNBECANH2679.3°54.1°
CAXNBECAOH2779.0°54.2°
CAXNBECAOH2839.9°65.8°
CAWNAUCO4.8°5.6°
CAWNAUCH37180.0°180.0°
CAWNAUCCA177.5°174.5°
NAUCAWCAGH131.7°0.1°
NBECAOCAKH27120.6°120.0°
NBECAOCAKH28120.6°120.0°
NBECAOCAKCAI48.9°59.2°
CAONBECANCAJ35.3°61.8°
NBECAOCAKH19169.0°60.8°
NBECAOCAKH2071.1°179.2°
CAONBECANH25155.9°58.3°
CAONBECANH2685.3°178.2°
NBECAOH27H28118.3°120.0°
CAKCAONBECAN34.8°61.7°
CAOCAKCAIH19120.1°120.0°
CAOCAKCAIH20120.0°120.0°
CAOCAKCAICAJ65.2°57.7°
CAOCAKCAIH1554.5°177.6°
CAOCAKCAIH16175.0°62.3°
CAOCAKH19H20119.8°120.1°
CAKCAOH27H28118.3°120.0°
NBECANCAJH25120.6°120.0°
NBECANCAJH26120.6°120.0°
NBECANCAJCAI49.5°59.2°
NBECANCAJH1770.4°179.2°
NBECANCAJH18169.5°60.7°
NBECANH25H26118.2°119.9°
CANNBECAOH2785.7°178.3°
CANNBECAOH28155.4°58.2°
OCNAUCA177.8°179.9°
OCCAN150.3°0.1°
OCCAH230.3°120.0°
OCCAH389.7°120.0°
OCNAUH37175.2°174.4°
NAUCCAN31.8°180.0°
NAUCCAH2151.8°59.9°
NAUCCAH388.2°60.0°
CAKCAICAJCAN65.4°57.6°
CAKCAICAJH15119.7°119.9°
CAKCAICAJH16119.8°120.0°
CAKCAIH15H16120.7°120.2°
CAKCAICAJH1754.6°177.6°
CAKCAICAJH18174.6°62.3°
CAICAKH19H20119.9°120.1°
CAICAKCAOH2771.6°179.2°
CAICAKCAOH28169.5°60.8°
CCANCAR76.6°66.2°
CCANH2120.0°120.1°
CCANH3120.0°119.9°
CCANCAS161.7°170.0°
CCAH2H3120.0°120.0°
CACNAUH372.6°5.5°
CAPCARNH33120.1°119.9°
CAPCARNH34120.1°120.0°
CARCAPNBCH29120.2°120.0°
CARCAPNBCH30120.2°119.9°
CAPCARNCA177.3°176.8°
CAPCARNCAS59.6°59.4°
CARCAPNBCCAC176.9°176.8°
CARCAPNBCCAQ56.6°59.3°
CARCAPH29H30119.4°120.1°
CAPCARH33H34119.6°120.0°
NCARCAPNBC58.8°58.4°
CARNCACAS121.7°123.8°
CARNCASCAQ59.5°59.4°
CARNCAH243.4°173.8°
CARNCAH3163.4°53.8°
NCARCAPH2961.4°61.5°
NCARCAPH30179.0°178.4°
NCARH33H34119.6°120.1°
CARNCASH3560.6°60.6°
CARNCASH36179.6°179.3°
CAPNBCCACCAQ120.4°123.8°
CAPNBCCAQCAS56.7°59.4°
CAPNBCCACH10180.0°60.0°
CAPNBCCACH1160.0°180.0°
CAPNBCCACH1260.0°59.9°
NBCCAPH29H30119.4°120.0°
CAPNBCCAQH3163.5°179.3°
CAPNBCCAQH32176.9°60.6°
NBCCAPCARH3361.4°178.4°
NBCCAPCARH34178.9°61.6°
CANCAJCAIH17120.0°119.9°
CANCAJCAIH18120.0°119.9°
CANCAJCAIH1554.4°177.6°
CANCAJCAIH16174.9°62.3°
CANCAJH17H18120.1°120.1°
CAJCANH25H26118.2°120.0°
CAJCAIH15H16120.7°120.1°
CAICAJH17H18120.1°120.1°
CAJCAICAKH19174.7°62.3°
CAJCAICAKH2054.8°177.6°
CAICAJCANH25170.1°60.9°
CAICAJCANH2671.0°179.2°
CANCASCAQ177.4°176.8°
NCAH2H3120.0°120.0°
CANCARH3362.6°56.9°
CANCARH3457.2°63.2°
CANCASH3562.5°63.3°
CANCASH3657.3°56.8°
NCASCAQNBC58.8°58.4°
NCASCAQH35120.1°120.0°
NCASCAQH36120.1°119.9°
CASNCAH278.3°50.0°
CASNCAH341.7°70.0°
NCASCAQH3161.5°178.4°
NCASCAQH32179.0°61.5°
CASNCARH3360.5°179.3°
CASNCARH34179.7°60.6°
NCASH35H36119.7°120.1°
CACNBCCAQCAS176.9°176.8°
NBCCACH10H11120.0°120.0°
NBCCACH10H12120.0°119.9°
NBCCACH11H12120.0°120.0°
CACNBCCAPH2956.7°63.2°
CACNBCCAPH3062.9°56.9°
CACNBCCAQH3156.7°56.8°
CACNBCCAQH3262.9°63.2°
NBCCAQCASH31120.2°119.9°
NBCCAQCASH32120.2°120.0°
CAQNBCCACH1059.5°176.2°
CAQNBCCACH1160.5°56.2°
CAQNBCCACH12179.6°63.8°
CAQNBCCAPH2963.6°60.7°
CAQNBCCAPH30176.8°179.3°
NBCCAQH31H32119.3°120.0°
NBCCAQCASH3561.3°61.6°
NBCCAQCASH36178.9°178.4°
CASCAQH31H32119.4°120.1°
CAQCASH35H36119.7°120.0°
H4CAAH5H6120.0°120.0°
H4CAACALH2159.6°60.0°
H4CAACALH2259.7°180.0°
H5CAACALH2160.4°180.0°
H5CAACALH22179.7°60.0°
H6CAACALH21179.6°60.0°
H6CAACALH2260.3°60.0°
H7CABH8H9120.0°120.0°
H7CABCAMH2359.8°180.0°
H7CABCAMH2459.8°60.0°
H8CABCAMH2360.2°60.0°
H8CABCAMH24179.7°60.0°
H9CABCAMH23179.8°60.0°
H9CABCAMH2460.3°180.0°
H10CACH11H12120.0°120.1°
H15CAICAJH17174.3°62.5°
H15CAICAJH1865.6°57.6°
H15CAICAKH1965.5°57.6°
H15CAICAKH20174.6°62.5°
H16CAICAJH1765.2°57.6°
H16CAICAJH1854.9°177.7°
H16CAICAKH1954.9°177.8°
H16CAICAKH2064.9°57.7°
H17CAJCANH2550.2°59.1°
H17CAJCANH26169.0°60.9°
H18CAJCANH2569.9°179.2°
H18CAJCANH2648.9°59.2°
H19CAKCAOH2748.4°59.2°
H19CAKCAOH2870.4°179.3°
H20CAKCAOH27168.3°60.9°
H20CAKCAOH2849.4°59.2°
H29CAPCARH33178.5°58.4°
H29CAPCARH3458.7°178.4°
H30CAPCARH3358.8°61.7°
H30CAPCARH3460.9°58.3°
H31CAQCASH35178.5°58.3°
H31CAQCASH3658.6°61.7°
H32CAQCASH3558.9°178.5°
H32CAQCASH3660.9°58.4°

221051

PDB entries from 2024-06-12

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