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CWQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAQCARdoub1.38Å1.39ÅAromatic
CAQCAPsing1.38Å1.39ÅAromatic
CARCASsing1.39Å1.34ÅAromatic
CAPCAOdoub1.38Å1.40ÅAromatic
CASCATsing1.52Å1.41Å
CASCANdoub1.38Å1.35ÅAromatic
CAOCANsing1.39Å1.34ÅAromatic
CATCALsing1.54Å1.48Å
CANCAMsing1.51Å1.40Å
CAMCALsing1.54Å1.48Å
CALNAKsing1.47Å1.47Å
CAJNAKsing1.47Å1.48Å
CAJCAIsing1.53Å1.54Å
NAKCAUsing1.47Å1.46Å
CAICAHsing1.53Å1.55Å
CAUCAGsing1.53Å1.51Å
CAHCAGsing1.53Å1.53Å
CAGCAFsing1.53Å1.54Å
CAFNAEsing1.47Å1.48Å
OAYCAWdoub1.22Å1.24Å
NAECAWsing1.35Å1.38Å
NAECADsing1.46Å1.47Å
CAWCAXsing1.48Å1.40Å
CADCACsing1.53Å1.52Å
CACNABsing1.47Å1.47Å
CAXCBDdoub1.40Å1.39ÅAromatic
CAXNAZsing1.32Å1.35ÅAromatic
CBDCBCsing1.36Å1.39ÅAromatic
CAVNABsing1.47Å1.48Å
NABCAAsing1.47Å1.47Å
NAZCBAdoub1.33Å1.33ÅAromatic
CBCCBBdoub1.41Å1.39ÅAromatic
CBACBBsing1.42Å1.39ÅAromatic
CBACBEsing1.41Å1.39ÅAromatic
CBBCBHsing1.40Å1.39ÅAromatic
OBICBEsing1.36Å1.37Å
CBECBFdoub1.37Å1.39ÅAromatic
CBHCBGdoub1.36Å1.39ÅAromatic
CBFCBGsing1.39Å1.39ÅAromatic
CAAH1sing1.09Å1.10Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CACH4sing1.09Å1.10Å
CACH5sing1.09Å1.10Å
CADH6sing1.09Å1.10Å
CADH7sing1.09Å1.10Å
CAFH8sing1.09Å1.10Å
CAFH9sing1.09Å1.10Å
CAGH10sing1.09Å1.10Å
CAHH11sing1.09Å1.10Å
CAHH12sing1.09Å1.10Å
CAIH13sing1.09Å1.10Å
CAIH14sing1.09Å1.10Å
CAJH15sing1.09Å1.10Å
CAJH16sing1.09Å1.10Å
CALH17sing1.09Å1.10Å
CAMH18sing1.09Å1.10Å
CAMH19sing1.09Å1.10Å
CAOH20sing1.08Å1.08Å
CAPH21sing1.08Å1.08Å
CAQH22sing1.08Å1.08Å
CARH23sing1.08Å1.08Å
CATH24sing1.09Å1.10Å
CATH25sing1.09Å1.10Å
CAUH26sing1.09Å1.10Å
CAUH27sing1.09Å1.10Å
CAVH28sing1.09Å1.10Å
CAVH29sing1.09Å1.10Å
CAVH30sing1.09Å1.10Å
CBCH31sing1.08Å1.08Å
CBDH32sing1.08Å1.08Å
CBFH33sing1.08Å1.08Å
CBGH34sing1.08Å1.08Å
CBHH35sing1.08Å1.08Å
OBIH38sing0.97Å0.95Å
NABH36sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CARCAQCAP118.0°120.0°
CAQCARCAS122.2°120.2°
CARCAQH22121.0°120.0°
CAQCARH23118.9°119.9°
CAQCAPCAO117.8°119.9°
CAQCAPH21121.1°120.0°
CAPCAQH22121.0°120.0°
CARCASCAT131.0°130.3°
CARCASCAN119.6°119.9°
CASCARH23118.9°119.9°
CAPCAOCAN121.7°120.2°
CAPCAOH20119.2°119.9°
CAOCAPH21121.1°120.1°
CATCASCAN109.4°109.8°
CASCATCAL101.8°104.9°
CASCATH24111.4°110.3°
CASCATH25111.3°110.3°
CASCANCAO120.6°119.9°
CASCANCAM108.7°109.8°
CAOCANCAM130.6°130.4°
CANCAOH20119.2°119.9°
CATCALCAM99.5°102.5°
CATCALNAK112.9°110.8°
CATCALH17111.1°110.8°
CALCATH24111.3°110.4°
CALCATH25111.3°110.4°
CANCAMCAL102.8°105.2°
CANCAMH18111.1°110.3°
CANCAMH19111.1°110.4°
CAMCALNAK110.6°110.8°
CAMCALH17111.1°110.8°
CALCAMH18111.1°110.3°
CALCAMH19111.1°110.3°
CALNAKCAJ115.2°111.0°
CALNAKCAU108.8°111.0°
NAKCALH17111.3°110.8°
NAKCAJCAI112.6°109.5°
CAJNAKCAU112.0°111.2°
NAKCAJH15108.7°109.5°
NAKCAJH16108.7°109.5°
CAJCAICAH113.7°109.2°
CAJCAIH13108.4°109.5°
CAJCAIH14108.4°109.5°
CAICAJH15108.7°109.4°
CAICAJH16108.7°109.4°
NAKCAUCAG112.5°109.5°
NAKCAUH26108.7°109.5°
NAKCAUH27108.7°109.4°
CAICAHCAG110.8°109.2°
CAICAHH11109.1°109.5°
CAICAHH12109.1°109.6°
CAHCAIH13108.4°109.5°
CAHCAIH14108.4°109.5°
CAUCAGCAH110.2°109.3°
CAUCAGCAF105.5°109.5°
CAUCAGH10108.7°109.5°
CAGCAUH26108.7°109.4°
CAGCAUH27108.7°109.5°
CAHCAGCAF115.7°109.5°
CAHCAGH10108.4°109.5°
CAGCAHH11109.2°109.5°
CAGCAHH12109.1°109.5°
CAGCAFNAE122.5°109.5°
CAGCAFH8106.1°109.5°
CAGCAFH9106.1°109.5°
CAFCAGH10108.3°109.6°
CAFNAECAW122.6°120.0°
CAFNAECAD113.1°120.0°
NAECAFH8106.1°109.5°
NAECAFH9106.1°109.4°
OAYCAWNAE123.4°120.0°
OAYCAWCAX116.9°120.0°
CAWNAECAD124.0°120.0°
NAECAWCAX119.4°120.0°
NAECADCAC108.8°109.5°
NAECADH6109.6°109.5°
NAECADH7109.6°109.5°
CAWCAXCBD120.8°119.3°
CAWCAXNAZ120.0°119.3°
CADCACNAB112.4°109.4°
CADCACH4108.7°109.5°
CADCACH5108.7°109.5°
CACCADH6109.6°109.5°
CACCADH7109.6°109.5°
CACNABCAV109.6°109.5°
CACNABCAA105.8°109.5°
NABCACH4108.7°109.5°
NABCACH5108.7°109.4°
CACNABH36110.7°109.5°
CBDCAXNAZ119.0°121.5°
CAXCBDCBC119.8°119.8°
CAXCBDH32120.1°120.1°
CAXNAZCBA122.8°121.3°
CBDCBCCBB119.1°118.3°
CBDCBCH31120.4°120.8°
CBCCBDH32120.1°120.1°
CAVNABCAA109.3°109.4°
NABCAVH28109.5°109.5°
NABCAVH29109.5°109.5°
NABCAVH30109.5°109.5°
CAVNABH36110.7°109.5°
NABCAAH1109.5°109.5°
NABCAAH2109.5°109.4°
NABCAAH3109.5°109.5°
CAANABH36110.7°109.5°
NAZCBACBB120.1°120.0°
NAZCBACBE120.2°121.0°
CBCCBBCBA119.0°119.1°
CBCCBBCBH120.8°121.3°
CBBCBCH31120.4°120.9°
CBBCBACBE119.7°119.0°
CBACBBCBH120.2°119.6°
CBACBEOBI117.0°120.2°
CBACBECBF120.2°119.6°
CBBCBHCBG120.4°119.8°
CBBCBHH35119.8°120.1°
OBICBECBF122.8°120.2°
CBEOBIH38109.5°114.0°
CBECBFCBG120.3°121.1°
CBECBFH33119.8°119.4°
CBHCBGCBF119.2°121.0°
CBHCBGH34120.4°119.5°
CBGCBHH35119.8°120.1°
CBGCBFH33119.9°119.5°
CBFCBGH34120.4°119.5°
H1CAAH2109.5°109.5°
H1CAAH3109.4°109.5°
H2CAAH3109.5°109.4°
H4CACH5109.5°109.5°
H6CADH7109.5°109.5°
H8CAFH9109.5°109.5°
H11CAHH12109.5°109.6°
H13CAIH14109.5°109.6°
H15CAJH16109.5°109.4°
H18CAMH19109.5°110.2°
H24CATH25109.5°110.3°
H26CAUH27109.5°109.5°
H28CAVH29109.5°109.5°
H28CAVH30109.4°109.4°
H29CAVH30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CARCAQCAPH22180.0°180.0°
CAQCARCASH23180.0°179.9°
CARCAQCAPCAO0.5°0.0°
CAQCARCASCAT178.2°180.0°
CAQCARCASCAN0.6°0.1°
CARCAQCAPH21179.5°179.9°
CAPCAQCARCAS0.4°0.1°
CAQCAPCAOH21180.0°180.0°
CAQCAPCAOCAN1.1°0.0°
CAQCAPCAOH20178.9°180.0°
CAPCAQCARH23179.6°180.0°
CARCASCATCAN178.9°179.9°
CARCASCANCAO0.0°0.1°
CARCASCATCAL155.3°162.8°
CARCASCANCAM179.3°180.0°
CASCARCAQH22179.6°180.0°
CARCASCATH2485.9°78.3°
CARCASCATH2536.5°43.8°
CAPCAOCANCAS0.9°0.1°
CAPCAOCANH20180.0°180.0°
CAPCAOCANCAM178.3°180.0°
CAOCAPCAQH22179.5°180.0°
CATCASCANCAO179.1°180.0°
CASCATCALH24118.8°118.9°
CASCATCALH25118.8°118.9°
CATCASCANCAM0.2°0.0°
CASCATCALCAM39.0°26.4°
CASCATCALNAK156.3°91.9°
CASCATCALH1778.0°144.7°
CATCASCARH231.8°0.0°
CASCATH24H25123.5°122.1°
CASCANCAOCAM179.1°179.9°
CANCASCATCAL25.8°17.2°
CASCANCAMCAL25.5°17.2°
CASCANCAMH18144.4°136.2°
CASCANCAMH1993.5°101.8°
CASCANCAOH20179.1°180.0°
CANCASCARH23179.3°180.0°
CANCASCATH2493.0°101.8°
CANCASCATH25144.5°136.2°
CAOCANCAMCAL155.3°162.8°
CAOCANCAMH1836.4°43.9°
CAOCANCAMH1985.7°78.2°
CANCAOCAPH21178.9°179.9°
CATCALCAMCAN39.4°26.5°
CATCALCAMNAK118.9°118.3°
CATCALCAMH17117.0°118.3°
CATCALNAKH17125.6°123.4°
CATCALNAKCAJ46.5°49.8°
CATCALNAKCAU173.1°74.4°
CATCALCAMH18158.3°145.4°
CATCALCAMH1979.6°92.6°
CALCATH24H25123.5°122.3°
CANCAMCALH18118.9°118.9°
CANCAMCALH19118.9°119.0°
CANCAMCALNAK158.3°91.8°
CANCAMCALH1777.7°144.8°
CANCAMH18H19123.1°122.1°
CAMCANCAOH201.7°0.0°
CAMCALNAKH17123.9°123.5°
CAMCALNAKCAJ156.9°63.3°
CAMCALNAKCAU76.5°172.4°
CALCAMH18H19123.1°122.1°
CAMCALCATH2479.7°92.5°
CAMCALCATH25157.8°145.2°
CALNAKCAJCAU125.0°124.1°
CALNAKCAJCAI121.9°174.1°
CALNAKCAUCAG176.9°174.1°
CALNAKCAJH15117.6°65.8°
CALNAKCAJH161.4°54.2°
NAKCALCAMH1882.8°27.1°
NAKCALCAMH1939.3°149.1°
NAKCALCATH2437.5°149.2°
NAKCALCATH2585.0°27.0°
CALNAKCAUH2662.6°54.2°
CALNAKCAUH2756.5°65.8°
NAKCAJCAIH15120.5°120.1°
NAKCAJCAIH16120.4°120.0°
NAKCAJCAICAH51.3°59.2°
CAJNAKCAUCAG54.7°61.8°
NAKCAJCAIH13171.9°179.1°
NAKCAJCAIH1469.3°60.7°
NAKCAJH15H16118.5°120.0°
CAJNAKCALH1779.1°173.2°
CAJNAKCAUH2665.8°178.3°
CAJNAKCAUH27175.1°58.3°
CAICAJNAKCAU3.1°61.8°
CAJCAICAHH13120.6°119.9°
CAJCAICAHH14120.6°120.0°
CAJCAICAHCAG40.8°57.7°
CAJCAICAHH1179.4°62.2°
CAJCAICAHH12160.9°177.6°
CAJCAIH13H14118.1°120.2°
CAICAJH15H16118.6°119.9°
NAKCAUCAGH26120.5°120.0°
NAKCAUCAGH27120.4°120.0°
NAKCAUCAGCAH64.1°59.1°
NAKCAUCAGCAF170.4°179.1°
NAKCAUCAGH1054.5°60.8°
CAUNAKCAJH15117.4°58.2°
CAUNAKCAJH16123.5°178.2°
CAUNAKCALH1747.5°49.0°
NAKCAUH26H27118.6°120.0°
CAICAHCAGCAU13.6°57.7°
CAICAHCAGH11120.2°119.9°
CAICAHCAGH12120.2°119.9°
CAICAHCAGCAF133.1°177.6°
CAICAHCAGH10105.2°62.3°
CAICAHH11H12119.4°120.2°
CAHCAIH13H14118.1°120.1°
CAHCAICAJH1569.2°60.9°
CAHCAICAJH16171.7°179.2°
CAUCAGCAHCAF119.4°119.9°
CAUCAGCAHH10118.8°119.9°
CAUCAGCAFH10116.2°120.1°
CAUCAGCAFNAE139.3°175.1°
CAUCAGCAFH817.5°64.9°
CAUCAGCAFH998.9°55.2°
CAUCAGCAHH11133.8°62.2°
CAUCAGCAHH12106.6°177.6°
CAGCAUH26H27118.6°120.0°
CAHCAGCAFH10121.8°120.1°
CAHCAGCAFNAE17.3°65.1°
CAHCAGCAFH8104.5°54.9°
CAHCAGCAFH9139.1°174.9°
CAGCAHH11H12119.4°120.1°
CAGCAHCAIH13161.4°177.6°
CAGCAHCAIH1479.8°62.3°
CAHCAGCAUH2656.3°179.1°
CAHCAGCAUH27175.4°60.9°
CAGCAFNAEH8121.8°120.1°
CAGCAFNAEH9121.8°120.0°
CAGCAFNAECAW90.9°90.1°
CAGCAFNAECAD95.3°90.0°
CAGCAFH8H9114.1°120.1°
CAFCAGCAHH11106.8°57.7°
CAFCAGCAHH1212.9°62.5°
CAFCAGCAUH2669.1°60.9°
CAFCAGCAUH2750.0°59.1°
CAFNAECAWOAY3.0°4.7°
CAFNAECAWCAD173.0°179.9°
CAFNAECAWCAX170.9°175.2°
CAFNAECADCAC58.5°94.8°
CAFNAECADH6178.4°25.2°
CAFNAECADH761.4°145.2°
NAECAFH8H9114.2°119.9°
NAECAFCAGH10104.5°55.0°
OAYCAWNAECAX173.9°179.9°
OAYCAWNAECAD176.0°175.2°
OAYCAWCAXCBD53.0°7.1°
OAYCAWCAXNAZ121.1°172.7°
CAWNAECADCAC115.1°85.2°
NAECAWCAXCBD132.7°172.9°
NAECAWCAXNAZ53.2°7.4°
CAWNAECADH64.8°154.8°
CAWNAECADH7125.0°34.8°
CAWNAECAFH8147.3°30.0°
CAWNAECAFH930.8°149.9°
CADNAECAWCAX2.1°4.9°
NAECADCACH6119.9°120.0°
NAECADCACH7119.9°120.0°
NAECADCACNAB85.3°173.2°
NAECADCACH4154.2°53.3°
NAECADCACH535.1°66.8°
NAECADH6H7120.3°120.0°
CADNAECAFH826.5°150.0°
CADNAECAFH9142.9°30.0°
CAWCAXCBDNAZ174.2°179.7°
CAWCAXCBDCBC177.0°180.0°
CAWCAXNAZCBA177.1°180.0°
CAWCAXCBDH323.0°0.0°
CADCACNABH4120.4°120.0°
CADCACNABH5120.4°120.0°
CADCACNABCAV96.5°67.8°
CADCACNABCAA145.9°172.2°
CADCACH4H5118.7°120.0°
CACCADH6H7120.3°120.0°
CADCACNABH3625.8°52.2°
CACNABCAVCAA115.5°120.0°
CACNABCAVH36122.3°120.0°
CACNABCAAH36120.0°120.0°
CACNABCAAH1180.0°60.0°
CACNABCAAH260.0°180.0°
CACNABCAAH360.0°60.0°
NABCACH4H5118.7°120.0°
NABCACCADH634.6°53.2°
NABCACCADH7154.8°66.8°
CACNABCAVH28180.0°60.0°
CACNABCAVH2960.0°60.0°
CACNABCAVH3060.0°180.0°
CAXCBDCBCH32180.0°180.0°
CBDCAXNAZCBA2.9°0.3°
CAXCBDCBCCBB1.7°0.0°
CAXCBDCBCH31178.3°179.7°
NAZCAXCBDCBC2.8°0.3°
CAXNAZCBACBB1.8°0.0°
CAXNAZCBACBE178.6°179.7°
NAZCAXCBDH32177.2°179.8°
CBDCBCCBBH31180.0°179.7°
CBDCBCCBBCBA0.6°0.3°
CBDCBCCBBCBH179.6°179.8°
CAVNABCAAH36122.1°120.0°
CAVNABCAAH162.1°180.0°
CAVNABCAAH2177.9°60.0°
CAVNABCAAH357.9°60.0°
CAVNABCACH4143.1°52.2°
CAVNABCACH524.0°172.2°
NABCAVH28H29120.0°120.0°
NABCAVH28H30120.0°120.0°
NABCAVH29H30120.0°120.0°
NABCAAH1H2120.0°120.0°
NABCAAH1H3120.0°120.0°
NABCAAH2H3120.0°120.0°
CAANABCACH425.4°67.8°
CAANABCACH593.7°52.2°
CAANABCAVH2864.5°180.0°
CAANABCAVH2955.5°60.0°
CAANABCAVH30175.5°60.0°
NAZCBACBBCBC0.6°0.3°
NAZCBACBBCBE179.6°179.7°
NAZCBACBBCBH179.6°179.8°
NAZCBACBEOBI0.1°0.4°
NAZCBACBECBF179.6°179.7°
CBCCBBCBACBH179.8°179.9°
CBCCBBCBACBE179.8°180.0°
CBCCBBCBHCBG179.7°180.0°
CBBCBCCBDH32178.3°180.0°
CBCCBBCBHH350.3°0.1°
CBBCBACBEOBI179.6°179.9°
CBBCBACBECBF0.0°0.1°
CBACBBCBHCBG0.4°0.0°
CBACBBCBCH31179.5°180.0°
CBACBBCBHH35179.6°180.0°
CBECBACBBCBH0.0°0.1°
CBACBEOBICBF179.5°179.9°
CBACBECBFCBG0.4°0.0°
CBACBECBFH33179.6°179.9°
CBACBEOBIH38180.0°97.4°
CBBCBHCBGH35180.0°180.0°
CBBCBHCBGCBF0.9°0.0°
CBHCBBCBCH310.3°0.1°
CBBCBHCBGH34179.1°179.9°
OBICBECBFCBG179.1°179.9°
OBICBECBFH330.9°0.0°
CBECBFCBGCBH0.9°0.0°
CBECBFCBGH33180.0°179.9°
CBECBFCBGH34179.1°180.0°
CBFCBEOBIH380.5°82.8°
CBHCBGCBFH34180.0°179.9°
CBHCBGCBFH33179.1°180.0°
CBFCBGCBHH35179.1°180.0°
H1CAAH2H3120.0°120.0°
H1CAANABH3660.0°60.0°
H2CAANABH3660.0°60.0°
H3CAANABH36180.0°179.9°
H4CACCADH685.9°66.8°
H4CACCADH734.3°173.3°
H4CACNABH3694.6°172.2°
H5CACCADH6155.0°173.2°
H5CACCADH784.8°53.2°
H5CACNABH36146.3°67.8°
H8CAFCAGH10133.7°175.0°
H9CAFCAGH1017.3°65.0°
H10CAGCAHH1115.0°177.8°
H10CAGCAHH12134.6°57.7°
H10CAGCAUH26175.0°59.2°
H10CAGCAUH2765.9°179.2°
H11CAHCAIH1341.2°57.7°
H11CAHCAIH14160.0°177.8°
H12CAHCAIH1378.4°62.5°
H12CAHCAIH1440.3°57.6°
H13CAICAJH1551.4°59.0°
H13CAICAJH1667.7°60.9°
H14CAICAJH15170.2°179.2°
H14CAICAJH1651.1°59.3°
H17CALCAMH1841.3°96.3°
H17CALCAMH19163.4°25.7°
H17CALCATH24163.2°25.8°
H17CALCATH2540.8°96.4°
H20CAOCAPH211.1°0.0°
H21CAPCAQH220.5°0.0°
H22CAQCARH230.4°0.0°
H28CAVH29H30120.0°120.0°
H28CAVNABH3657.7°60.0°
H29CAVNABH36177.7°180.0°
H30CAVNABH3662.3°60.0°
H31CBCCBDH321.7°0.2°
H33CBFCBGH340.9°0.1°
H34CBGCBHH350.9°0.0°

219140

PDB entries from 2024-05-01

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