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KQQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBMNsing1.47Å1.50Å
NCBLsing1.47Å1.49Å
NCAsing1.47Å1.47Å
CACsing1.51Å1.52Å
OCdoub1.21Å1.27Å
NAGCAFsing1.35Å1.32Å
CNBBsing1.35Å1.34Å
CAFOAHdoub1.22Å1.21Å
CAFCADsing1.42Å1.46Å
SACCADsing1.76Å1.76ÅAromatic
SACCABsing1.71Å1.69ÅAromatic
CADCAEdoub1.37Å1.39ÅAromatic
NBBCBCsing1.47Å1.46Å
NBBCAVsing1.40Å1.37Å
CBCCBDsing1.53Å1.50Å
CAENAIsing1.39Å1.41Å
CAECAAsing1.38Å1.40ÅAromatic
CBDCBEsing1.53Å1.52Å
CABCAAdoub1.33Å1.41ÅAromatic
NAIC4sing1.38Å1.35Å
CAVCAUdoub1.39Å1.42ÅAromatic
CAVCAWsing1.39Å1.39ÅAromatic
CAUCATsing1.39Å1.38ÅAromatic
C4C5doub1.40Å1.46ÅAromatic
C4N3sing1.33Å1.34ÅAromatic
CAPC5sing1.46Å1.45ÅAromatic
CAPCAQdoub1.34Å1.36ÅAromatic
C5C6sing1.41Å1.44ÅAromatic
N3C2doub1.33Å1.36ÅAromatic
CBGCBEsing1.53Å1.53Å
CBECAWsing1.51Å1.51Å
CBECBFsing1.53Å1.53Å
CAQNARsing1.37Å1.38ÅAromatic
CAWCAXdoub1.39Å1.36ÅAromatic
CATNASsing1.40Å1.37Å
CATCAYdoub1.39Å1.40ÅAromatic
C2N1sing1.32Å1.36ÅAromatic
C2NASsing1.39Å1.35Å
C6NARsing1.37Å1.33ÅAromatic
C6N1doub1.33Å1.37ÅAromatic
CAXCAYsing1.38Å1.40ÅAromatic
CAYOAZsing1.36Å1.36Å
OAZCBAsing1.43Å1.43Å
NAGH1sing0.97Å1.00Å
NAGH2sing0.97Å1.00Å
CABH3sing1.08Å1.08Å
CAAH4sing1.08Å1.08Å
NAIH5sing0.97Å1.00Å
CAPH6sing1.08Å1.08Å
CAQH7sing1.08Å1.08Å
NARH8sing0.97Å1.00Å
NASH9sing0.97Å1.00Å
CBAH10sing1.09Å1.10Å
CBAH11sing1.09Å1.10Å
CBAH12sing1.09Å1.10Å
CAUH13sing1.08Å1.08Å
CAXH14sing1.08Å1.08Å
CAH15sing1.09Å1.10Å
CAH16sing1.09Å1.10Å
CBLH18sing1.09Å1.10Å
CBLH19sing1.09Å1.10Å
CBLH20sing1.09Å1.10Å
CBMH21sing1.09Å1.10Å
CBMH22sing1.09Å1.10Å
CBMH23sing1.09Å1.10Å
CBCH24sing1.09Å1.10Å
CBCH25sing1.09Å1.10Å
CBDH26sing1.09Å1.10Å
CBDH27sing1.09Å1.10Å
CBGH28sing1.09Å1.10Å
CBGH29sing1.09Å1.10Å
CBGH30sing1.09Å1.10Å
CBFH31sing1.09Å1.10Å
CBFH32sing1.09Å1.10Å
CBFH33sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBMNCBL107.4°111.0°
CBMNCA111.2°111.0°
NCBMH21109.5°109.4°
NCBMH22109.5°109.4°
NCBMH23109.5°109.5°
CBLNCA117.3°111.0°
NCBLH18109.5°109.5°
NCBLH19109.4°109.5°
NCBLH20109.5°109.5°
NCAC106.6°109.5°
NCAH15110.2°109.5°
NCAH16110.2°109.5°
CACO119.6°120.0°
CACNBB117.2°120.0°
CCAH15110.2°109.4°
CCAH16110.2°109.5°
OCNBB123.2°120.0°
NAGCAFOAH121.8°120.0°
NAGCAFCAD115.4°120.1°
CAFNAGH1120.0°120.1°
CAFNAGH2120.0°119.9°
CNBBCBC124.4°120.5°
CNBBCAV124.7°120.6°
OAHCAFCAD122.7°120.0°
CAFCADSAC118.7°125.4°
CAFCADCAE130.4°125.5°
CADSACCAB91.9°91.7°
SACCADCAE110.9°109.1°
SACCABCAA111.7°111.2°
SACCABH3124.1°124.4°
CADCAENAI114.2°123.5°
CADCAECAA112.1°113.0°
CBCNBBCAV110.9°118.9°
NBBCBCCBD98.4°107.8°
NBBCBCH24112.1°109.8°
NBBCBCH25112.2°109.7°
NBBCAVCAU118.9°119.1°
NBBCAVCAW122.1°120.8°
CBCCBDCBE113.3°108.9°
CBDCBCH24112.2°109.9°
CBDCBCH25112.1°109.8°
CBCCBDH26108.5°109.5°
CBCCBDH27108.5°109.5°
NAICAECAA133.6°123.5°
CAENAIC4125.1°120.0°
CAENAIH5117.5°119.9°
CAECAACAB113.3°115.1°
CAECAAH4123.4°122.4°
CBDCBECBG113.8°109.2°
CBDCBECAW107.5°110.5°
CBDCBECBF110.5°109.3°
CBECBDH26108.5°109.6°
CBECBDH27108.5°109.5°
CAACABH3124.2°124.4°
CABCAAH4123.3°122.4°
NAIC4C5121.8°120.8°
NAIC4N3120.6°120.8°
C4NAIH5117.4°120.0°
CAUCAVCAW118.8°120.2°
CAVCAUCAT121.7°120.1°
CAVCAUH13119.2°119.9°
CAVCAWCBE120.1°121.5°
CAVCAWCAX120.1°119.7°
CAUCATNAS127.5°120.2°
CAUCATCAY117.8°119.7°
CATCAUH13119.1°120.0°
C5C4N3116.9°118.4°
C4C5CAP134.7°135.0°
C4C5C6115.9°118.8°
C4N3C2125.2°121.0°
C5CAPCAQ104.5°106.8°
CAPC5C6109.1°106.2°
C5CAPH6127.7°126.6°
CAPCAQNAR109.6°109.8°
CAQCAPH6127.7°126.6°
CAPCAQH7125.2°125.1°
C5C6NAR103.9°107.2°
C5C6N1122.8°118.6°
N3C2N1120.7°122.5°
N3C2NAS123.6°118.7°
CBGCBECAW111.4°109.3°
CBGCBECBF108.6°109.3°
CBECBGH28109.5°109.5°
CBECBGH29109.5°109.4°
CBECBGH30109.5°109.5°
CAWCBECBF104.6°109.3°
CBECAWCAX119.7°118.8°
CBECBFH31109.5°109.5°
CBECBFH32109.5°109.5°
CBECBFH33109.4°109.5°
CAQNARC6112.7°110.0°
NARCAQH7125.2°125.1°
CAQNARH8123.6°125.0°
CAWCAXCAY121.3°120.3°
CAWCAXH14119.4°119.9°
NASCATCAY114.7°120.1°
CATNASC2127.1°120.0°
CATNASH9116.4°120.0°
CATCAYCAX120.1°120.0°
CATCAYOAZ117.3°120.0°
N1C2NAS115.7°118.7°
C2N1C6118.0°120.6°
C2NASH9116.4°120.0°
NARC6N1133.2°134.2°
C6NARH8123.6°125.0°
CAXCAYOAZ122.4°120.0°
CAYCAXH14119.4°119.8°
CAYOAZCBA125.5°117.1°
OAZCBAH10109.5°109.4°
OAZCBAH11109.5°109.4°
OAZCBAH12109.4°109.5°
H1NAGH2120.0°120.0°
H10CBAH11109.4°109.4°
H10CBAH12109.5°109.5°
H11CBAH12109.5°109.6°
H15CAH16109.5°109.5°
H18CBLH19109.5°109.4°
H18CBLH20109.4°109.5°
H19CBLH20109.5°109.5°
H21CBMH22109.5°109.5°
H21CBMH23109.5°109.5°
H22CBMH23109.4°109.5°
H24CBCH25109.5°109.8°
H26CBDH27109.5°109.7°
H28CBGH29109.5°109.5°
H28CBGH30109.5°109.4°
H29CBGH30109.5°109.5°
H31CBFH32109.5°109.5°
H31CBFH33109.5°109.4°
H32CBFH33109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBMNCBLCA126.1°124.0°
CBMNCAC176.5°66.1°
CBMNCAH1557.0°174.0°
CBMNCAH1663.9°54.0°
CBMNCBLH18180.0°63.9°
CBMNCBLH1960.0°56.0°
CBMNCBLH2060.0°176.0°
NCBMH21H22120.0°120.0°
NCBMH21H23120.0°120.0°
NCBMH22H23120.0°120.0°
CBLNCAC59.3°170.0°
CBLNCAH15178.8°50.0°
CBLNCAH1660.3°70.0°
NCBLH18H19120.0°120.0°
NCBLH18H20120.0°120.1°
NCBLH19H20120.0°120.0°
CBLNCBMH21180.0°60.0°
CBLNCBMH2260.0°180.0°
CBLNCBMH2360.0°60.0°
NCACH15119.6°120.0°
NCACH16119.6°120.0°
NCACO13.3°0.0°
NCACNBB169.0°180.0°
NCAH15H16121.3°120.0°
CANCBLH1853.9°60.0°
CANCBLH1966.1°180.0°
CANCBLH20173.9°60.0°
CANCBMH2150.4°63.9°
CANCBMH22170.4°56.1°
CANCBMH2369.7°176.1°
CACONBB177.6°180.0°
CACNBBCBC4.3°3.1°
CACNBBCAV174.3°176.9°
CCAH15H16121.3°120.0°
OCNBBCBC173.3°176.9°
OCNBBCAV8.1°3.2°
OCCAH15106.2°120.0°
OCCAH16132.9°120.0°
NAGCAFOAHCAD176.6°179.6°
NAGCAFCADSAC0.4°0.1°
NAGCAFCADCAE179.3°179.7°
CAFNAGH1H2180.0°179.9°
CNBBCBCCAV178.7°180.0°
CNBBCBCCBD112.8°135.4°
CNBBCAVCAU39.2°13.4°
CNBBCAVCAW144.6°166.4°
NBBCCAH1571.5°60.0°
NBBCCAH1649.4°60.0°
CNBBCBCH245.4°15.7°
CNBBCBCH25129.1°105.1°
OAHCAFCADSAC177.2°179.7°
OAHCAFCADCAE3.9°0.1°
OAHCAFNAGH10.0°0.1°
OAHCAFNAGH2180.0°180.0°
CAFCADSACCAE179.1°179.8°
CAFCADSACCAB179.5°180.0°
CAFCADCAENAI2.4°0.1°
CAFCADCAECAA178.3°179.8°
CADCAFNAGH1176.8°179.7°
CADCAFNAGH23.2°0.4°
SACCADCAENAI176.6°179.8°
SACCADCAECAA2.7°0.4°
CADSACCABCAA0.3°0.0°
CADSACCABH3179.6°180.0°
CABSACCADCAE1.4°0.2°
SACCABCAACAE2.0°0.3°
SACCABCAAH3180.0°179.9°
SACCABCAAH4178.0°180.0°
CADCAENAICAA179.2°179.8°
CADCAECAACAB3.1°0.5°
CADCAENAIC4177.7°174.1°
CADCAECAAH4176.9°179.8°
CADCAENAIH52.3°5.9°
NBBCBCCBDH24118.2°119.6°
NBBCBCCBDH25118.2°119.5°
NBBCBCCBDCBE73.7°63.2°
CBCNBBCAVCAU139.5°166.7°
CBCNBBCAVCAW36.7°13.6°
NBBCBCH24H25125.2°120.7°
NBBCBCCBDH2646.9°56.7°
NBBCBCCBDH27165.8°177.0°
CAVNBBCBCCBD68.5°44.6°
NBBCAVCAUCAW176.4°179.7°
NBBCAVCAUCAT174.8°179.6°
NBBCAVCAWCBE0.1°0.7°
NBBCAVCAWCAX176.3°179.2°
NBBCAVCAUH135.2°0.4°
CAVNBBCBCH24173.3°164.3°
CAVNBBCBCH2549.6°74.9°
CBCCBDCBEH26120.6°119.8°
CBCCBDCBEH27120.6°119.8°
CBCCBDCBECBG165.0°171.8°
CBCCBDCBECAW41.1°51.6°
CBCCBDCBECBF72.5°68.7°
CBDCBCH24H25125.2°120.9°
CBCCBDH26H27118.3°120.2°
NAICAECAACAB176.1°179.7°
CAENAIC4H5180.0°180.0°
CAENAIC4C5172.6°174.8°
CAENAIC4N317.3°5.5°
NAICAECAAH43.9°0.0°
CAECAACABH4180.0°179.7°
CAACAENAIC41.4°5.7°
CAECAACABH3178.0°179.8°
CAACAENAIH5178.6°174.3°
CBDCBECAWCAV2.3°21.0°
CBDCBECBGCAW121.8°121.0°
CBDCBECBGCBF123.5°119.5°
CBDCBECAWCBF117.5°120.3°
CBDCBECAWCAX178.5°159.0°
CBECBDCBCH24168.2°177.1°
CBECBDCBCH2544.5°56.3°
CBECBDH26H27118.2°120.3°
CBDCBECBGH28180.0°60.0°
CBDCBECBGH2960.0°180.0°
CBDCBECBGH3060.0°60.0°
CBDCBECBFH31180.0°60.0°
CBDCBECBFH3260.0°180.0°
CBDCBECBFH3360.0°60.0°
NAIC4C5N3170.4°179.7°
NAIC4C5CAP10.8°0.0°
NAIC4C5C6177.6°180.0°
NAIC4N3C2177.1°179.9°
CAVCAUCATH13180.0°179.9°
CAUCAVCAWCBE176.1°179.5°
CAUCAVCAWCAX0.1°0.5°
CAVCAUCATNAS175.5°180.0°
CAVCAUCATCAY3.9°0.2°
CAWCAVCAUCAT1.5°0.2°
CAVCAWCBECBG127.6°141.2°
CAVCAWCBECAX176.2°180.0°
CAVCAWCBECBF115.2°99.3°
CAVCAWCAXCAY0.9°0.5°
CAWCAVCAUH13178.5°179.9°
CAVCAWCAXH14179.1°179.9°
CAUCATNASCAY179.5°179.8°
CAUCATNASC225.6°34.8°
CAUCATCAYCAX4.8°0.3°
CAUCATCAYOAZ179.2°179.7°
CAUCATNASH9154.4°145.1°
C4C5CAPC6172.0°180.0°
C4C5CAPCAQ175.8°180.0°
C5C4N3C26.6°0.2°
C4C5C6NAR175.7°180.0°
C4C5C6N16.2°0.0°
C5C4NAIH57.4°5.2°
C4C5CAPH64.2°0.0°
N3C4C5CAP178.8°179.8°
N3C4C5C67.2°0.2°
C4N3C2N14.1°0.1°
C4N3C2NAS177.8°180.0°
N3C4NAIH5162.7°174.5°
C5CAPCAQH6180.0°180.0°
C5CAPCAQNAR4.1°0.0°
CAPC5C6NAR2.1°0.0°
CAPC5C6N1179.9°180.0°
C5CAPCAQH7175.9°180.0°
CAQCAPC5C63.8°0.0°
CAPCAQNARH7180.0°179.9°
CAPCAQNARC63.1°0.1°
CAPCAQNARH8176.9°180.0°
C5C6NARCAQ0.5°0.0°
C5C6N1C23.8°0.2°
C5C6NARN1177.8°180.0°
C6C5CAPH6176.2°180.0°
C5C6NARH8179.5°180.0°
N3C2NASCAT5.0°175.7°
N3C2N1NAS178.3°179.9°
N3C2N1C62.3°0.3°
N3C2NASH9175.0°4.4°
CBGCBECAWCBF117.2°119.5°
CBGCBECAWCAX56.2°38.8°
CBGCBECBDH2644.4°52.0°
CBGCBECBDH2774.5°68.4°
CBECBGH28H29120.0°120.0°
CBECBGH28H30120.0°120.1°
CBECBGH29H30120.0°120.0°
CBGCBECBFH3154.5°179.5°
CBGCBECBFH3265.5°60.5°
CBGCBECBFH33174.5°59.5°
CBECAWCAXCAY177.1°179.6°
CBECAWCAXH142.9°0.1°
CAWCBECBDH2679.5°68.3°
CAWCBECBDH27161.6°171.3°
CAWCBECBGH2858.2°179.0°
CAWCBECBGH2961.8°59.0°
CAWCBECBGH30178.3°61.0°
CAWCBECBFH3164.6°61.0°
CAWCBECBFH32175.4°59.0°
CAWCBECBFH3355.4°179.0°
CBFCBECAWCAX61.0°80.7°
CBFCBECBDH26166.9°171.4°
CBFCBECBDH2748.1°51.0°
CBFCBECBGH2856.5°59.5°
CBFCBECBGH29176.5°60.5°
CBFCBECBGH3063.5°179.5°
CBECBFH31H32120.0°120.0°
CBECBFH31H33120.0°120.0°
CBECBFH32H33120.0°120.0°
CAQNARC6H8180.0°180.0°
CAQNARC6N1177.2°180.0°
NARCAQCAPH6175.9°180.0°
CAWCAXCAYCAT3.3°0.1°
CAWCAXCAYH14180.0°179.7°
CAWCAXCAYOAZ179.2°180.0°
CATNASC2N1173.2°4.2°
CATNASC2H9180.0°179.9°
NASCATCAYCAX174.8°179.9°
NASCATCAYOAZ1.3°0.2°
NASCATCAUH134.4°0.1°
CAYCATNASC2153.8°145.4°
CATCAYCAXOAZ175.9°179.9°
CATCAYOAZCBA178.1°180.0°
CAYCATNASH926.2°34.7°
CAYCATCAUH13176.1°179.7°
CATCAYCAXH14176.6°179.7°
C2N1C6NAR178.8°179.7°
N1C2NASH96.8°175.7°
NASC2N1C6179.4°179.8°
C6NARCAQH7176.9°180.0°
N1C6NARH82.8°0.0°
CAXCAYOAZCBA2.1°0.1°
CAYOAZCBAH10180.0°60.0°
CAYOAZCBAH1160.0°59.9°
CAYOAZCBAH1260.0°180.0°
OAZCAYCAXH140.8°0.3°
OAZCBAH10H11120.0°119.9°
OAZCBAH10H12120.0°120.0°
OAZCBAH11H12120.0°120.1°
H3CABCAAH42.0°0.1°
H6CAPCAQH74.1°0.1°
H7CAQNARH83.1°0.0°
H10CBAH11H12120.0°120.0°
H18CBLH19H20120.0°120.0°
H21CBMH22H23120.0°120.1°
H24CBCCBDH2671.3°63.0°
H24CBCCBDH2747.6°57.4°
H25CBCCBDH26165.1°176.2°
H25CBCCBDH2776.1°63.5°
H28CBGH29H30120.0°120.0°
H31CBFH32H33120.0°119.9°

223532

PDB entries from 2024-08-07

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