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JAY

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
OAKCAJdoub1.22Å1.26Å
CAACABdoub1.38Å1.37ÅAromatic
CAACAFsing1.39Å1.38ÅAromatic
CABCACsing1.39Å1.37ÅAromatic
CAJCAFsing1.47Å1.44Å
CAJNAIsing1.35Å1.35Å
CAFCAEdoub1.41Å1.37ÅAromatic
CACCADdoub1.38Å1.37ÅAromatic
FBMCBHsing1.35Å1.17Å
CBICBHdoub1.38Å1.40ÅAromatic
CBICBJsing1.38Å1.37ÅAromatic
CAECADsing1.38Å1.36ÅAromatic
CAENAGsing1.39Å1.36Å
CAMNAIsing1.46Å1.52Å
CAMCATsing1.53Å1.49Å
CAMCAXsing1.53Å1.53Å
NAICAHsing1.46Å1.51Å
CAUCATsing1.53Å1.50Å
CAUNAVsing1.47Å1.51Å
CBHCBGsing1.38Å1.41ÅAromatic
CAWCAXsing1.53Å1.55Å
CAWNAVsing1.47Å1.49Å
CBJCBKdoub1.38Å1.40ÅAromatic
CARCAQdoub1.38Å1.41ÅAromatic
CARCALsing1.38Å1.41ÅAromatic
NAVCAYsing1.47Å1.47Å
NAGCAHsing1.47Å1.48Å
CAHCALsing1.51Å1.42Å
CAQCAPsing1.38Å1.40ÅAromatic
CBGCBFsing1.51Å1.45Å
CBGCBLdoub1.38Å1.41ÅAromatic
CALCANdoub1.38Å1.38ÅAromatic
CBFNBEsing1.47Å1.46Å
CBFNBAsing1.46Å1.49Å
CBKCBLsing1.38Å1.39ÅAromatic
NBECBDsing1.39Å1.36Å
CAYCAZsing1.53Å1.56Å
CAZNBAsing1.47Å1.50Å
CAPCAOdoub1.38Å1.39ÅAromatic
CANCAOsing1.38Å1.40ÅAromatic
CANFASsing1.35Å1.27Å
NBACBBsing1.35Å1.35Å
CBDCBQsing1.38Å1.41ÅAromatic
CBDCBCdoub1.41Å1.40ÅAromatic
CBQCBPdoub1.38Å1.40ÅAromatic
CBBCBCsing1.47Å1.43Å
CBBOBRdoub1.22Å1.25Å
CBCCBNsing1.39Å1.39ÅAromatic
CBPCBOsing1.39Å1.38ÅAromatic
CBNCBOdoub1.38Å1.42ÅAromatic
CAOH1sing1.08Å1.08Å
CAPH2sing1.08Å1.08Å
CAQH3sing1.08Å1.08Å
CARH4sing1.08Å1.08Å
CAHH5sing1.09Å1.10Å
NAGH6sing0.97Å1.00Å
CADH7sing1.08Å1.08Å
CACH8sing1.08Å1.08Å
CABH9sing1.08Å1.08Å
CAAH10sing1.08Å1.08Å
CAMH11sing1.09Å1.10Å
CATH12sing1.09Å1.10Å
CATH13sing1.09Å1.10Å
CAUH14sing1.09Å1.10Å
CAUH15sing1.09Å1.10Å
CAXH16sing1.09Å1.10Å
CAXH17sing1.09Å1.10Å
CAWH18sing1.09Å1.10Å
CAWH19sing1.09Å1.10Å
CAYH21sing1.09Å1.10Å
CAYH22sing1.09Å1.10Å
CAZH23sing1.09Å1.10Å
CAZH24sing1.09Å1.10Å
CBNH25sing1.08Å1.08Å
CBOH26sing1.08Å1.08Å
CBPH27sing1.08Å1.08Å
CBQH28sing1.08Å1.08Å
NBEH29sing0.97Å1.00Å
CBFH30sing1.09Å1.10Å
CBIH31sing1.08Å1.08Å
CBJH32sing1.08Å1.08Å
CBKH33sing1.08Å1.08Å
CBLH34sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
OAKCAJCAF122.3°120.3°
OAKCAJNAI117.5°120.4°
CABCAACAF120.2°119.6°
CAACABCAC122.1°120.5°
CAACABH9119.0°119.7°
CABCAAH10119.9°120.2°
CAACAFCAJ121.2°121.7°
CAACAFCAE116.7°119.8°
CAFCAAH10119.9°120.2°
CABCACCAD117.6°120.6°
CABCACH8121.2°119.8°
CACCABH9118.9°119.8°
CAFCAJNAI118.4°119.4°
CAJCAFCAE121.9°118.5°
CAJNAICAM121.0°119.5°
CAJNAICAH118.2°121.3°
CAFCAECAD122.9°119.9°
CAFCAENAG119.9°118.3°
CACCADCAE120.4°119.7°
CACCADH7119.8°120.2°
CADCACH8121.2°119.6°
FBMCBHCBI117.9°120.0°
FBMCBHCBG118.3°120.0°
CBHCBICBJ117.5°120.0°
CBICBHCBG123.8°119.9°
CBHCBIH31121.3°120.0°
CBICBJCBK120.0°120.0°
CBJCBIH31121.3°120.0°
CBICBJH32120.0°120.0°
CADCAENAG117.1°121.8°
CAECADH7119.8°120.1°
CAENAGCAH117.2°118.7°
CAENAGH6107.5°120.6°
NAICAMCAT108.2°109.5°
NAICAMCAX112.9°109.5°
CAMNAICAH120.7°119.2°
NAICAMH11109.1°109.5°
CATCAMCAX108.3°109.2°
CAMCATCAU108.1°109.3°
CATCAMH11109.4°109.5°
CAMCATH12109.8°109.5°
CAMCATH13109.8°109.5°
CAMCAXCAW110.8°109.3°
CAXCAMH11108.9°109.6°
CAMCAXH16109.1°109.5°
CAMCAXH17109.1°109.5°
NAICAHNAG111.8°110.2°
NAICAHCAL110.1°109.3°
NAICAHH5108.2°109.3°
CATCAUNAV111.6°109.5°
CAUCATH12109.8°109.5°
CAUCATH13109.8°109.5°
CATCAUH14108.9°109.5°
CATCAUH15108.9°109.5°
CAUNAVCAW114.3°111.2°
CAUNAVCAY117.5°111.0°
NAVCAUH14108.9°109.5°
NAVCAUH15108.9°109.4°
CBHCBGCBF119.5°120.0°
CBHCBGCBL117.6°120.0°
CAXCAWNAV111.9°109.5°
CAWCAXH16109.1°109.5°
CAWCAXH17109.1°109.5°
CAXCAWH18108.9°109.4°
CAXCAWH19108.9°109.5°
CAWNAVCAY110.6°111.0°
NAVCAWH18108.9°109.4°
NAVCAWH19108.9°109.5°
CBJCBKCBL122.9°120.1°
CBKCBJH32120.0°119.9°
CBJCBKH33118.5°120.0°
CAQCARCAL121.9°120.0°
CARCAQCAP119.7°120.0°
CARCAQH3120.1°120.0°
CAQCARH4119.1°119.9°
CARCALCAH124.0°120.0°
CARCALCAN117.2°120.0°
CALCARH4119.1°120.0°
NAVCAYCAZ111.7°109.4°
NAVCAYH21108.9°109.5°
NAVCAYH22108.9°109.4°
NAGCAHCAL108.8°109.4°
NAGCAHH5108.5°109.3°
CAHNAGH6107.5°120.7°
CAHCALCAN118.8°120.0°
CALCAHH5109.4°109.3°
CAQCAPCAO118.1°120.0°
CAQCAPH2121.0°120.0°
CAPCAQH3120.2°120.0°
CBFCBGCBL122.9°120.0°
CBGCBFNBE109.5°109.3°
CBGCBFNBA108.4°109.7°
CBGCBFH30108.8°109.2°
CBGCBLCBK118.2°120.0°
CBGCBLH34120.9°120.0°
CALCANCAO121.3°119.9°
CALCANFAS119.8°120.0°
NBECBFNBA113.2°110.1°
CBFNBECBD121.7°118.5°
CBFNBEH29106.3°120.8°
NBECBFH30108.6°109.4°
CBFNBACAZ116.4°119.4°
CBFNBACBB121.5°121.2°
NBACBFH30108.2°109.1°
CBLCBKH33118.5°120.0°
CBKCBLH34120.9°120.0°
NBECBDCBQ119.1°122.0°
NBECBDCBC119.9°118.0°
CBDNBEH29106.3°120.7°
CAYCAZNBA108.2°109.4°
CAZCAYH21108.9°109.5°
CAZCAYH22108.9°109.5°
CAYCAZH23109.8°109.5°
CAYCAZH24109.8°109.5°
CAZNBACBB121.9°119.4°
NBACAZH23109.8°109.5°
NBACAZH24109.8°109.5°
CAPCAOCAN121.8°120.0°
CAPCAOH1119.1°120.0°
CAOCAPH2121.0°120.0°
CAOCANFAS118.8°120.0°
CANCAOH1119.1°120.0°
NBACBBCBC119.2°119.3°
NBACBBOBR117.5°120.4°
CBQCBDCBC121.0°119.9°
CBDCBQCBP122.1°119.7°
CBDCBQH28119.0°120.2°
CBDCBCCBB120.8°118.4°
CBDCBCCBN116.6°119.8°
CBQCBPCBO117.2°120.6°
CBQCBPH27121.4°119.8°
CBPCBQH28119.0°120.1°
CBCCBBOBR123.2°120.4°
CBBCBCCBN122.5°121.8°
CBCCBNCBO122.3°119.5°
CBCCBNH25118.8°120.2°
CBPCBOCBN120.8°120.5°
CBPCBOH26119.6°119.8°
CBOCBPH27121.4°119.7°
CBOCBNH25118.9°120.3°
CBNCBOH26119.6°119.7°
H12CATH13109.5°109.5°
H14CAUH15109.5°109.4°
H16CAXH17109.5°109.5°
H18CAWH19109.5°109.4°
H21CAYH22109.5°109.5°
H23CAZH24109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
OAKCAJCAFCAA19.0°9.5°
OAKCAJCAFNAI164.6°179.9°
OAKCAJCAFCAE155.2°170.0°
OAKCAJNAICAM6.2°7.8°
OAKCAJNAICAH177.6°172.2°
CABCAACAFH10180.0°179.9°
CAACABCACH9180.0°180.0°
CABCAACAFCAJ178.0°180.0°
CABCAACAFCAE3.5°0.6°
CAACABCACCAD2.1°0.2°
CAACABCACH8177.9°179.8°
CAFCAACABCAC3.4°0.1°
CAACAFCAJCAE174.2°179.5°
CAACAFCAJNAI176.4°170.6°
CAACAFCAECAD2.6°0.7°
CAACAFCAENAG179.4°178.9°
CAFCAACABH9176.6°179.9°
CABCACCADH8180.0°180.0°
CABCACCADCAE1.1°0.1°
CABCACCADH7178.9°179.9°
CACCABCAAH10176.5°179.9°
CAJCAFCAECAD177.1°179.9°
CAJCAFCAENAG4.9°0.6°
CAFCAJNAICAM171.6°172.1°
CAFCAJNAICAH12.3°7.9°
CAJCAFCAAH102.0°0.0°
NAICAJCAFCAE9.4°9.9°
CAJNAICAMCAH176.1°180.0°
CAJNAICAMCAT122.6°45.5°
CAJNAICAMCAX117.6°165.3°
CAJNAICAHNAG35.6°32.9°
CAJNAICAHCAL85.5°87.4°
CAJNAICAHH5155.1°153.0°
CAJNAICAMH113.7°74.6°
CAFCAECADCAC1.4°0.3°
CAFCAECADNAG178.0°179.5°
CAFCAENAGCAH21.0°28.6°
CAFCAENAGH6100.1°151.5°
CAFCAECADH7178.5°179.7°
CAECAFCAAH10176.5°179.5°
CACCADCAEH7180.0°180.0°
CACCADCAENAG179.5°179.2°
CADCACCABH9177.9°179.7°
FBMCBHCBICBG179.2°179.9°
FBMCBHCBICBJ179.2°180.0°
FBMCBHCBGCBF1.1°0.1°
FBMCBHCBGCBL179.6°179.7°
FBMCBHCBIH310.8°0.1°
CBHCBICBJH31180.0°179.9°
CBHCBICBJCBK0.5°0.0°
CBICBHCBGCBF179.6°180.0°
CBICBHCBGCBL1.2°0.2°
CBHCBICBJH32179.5°180.0°
CBJCBICBHCBG0.0°0.0°
CBICBJCBKH32180.0°180.0°
CBICBJCBKCBL0.3°0.2°
CBICBJCBKH33179.7°180.0°
CADCAENAGCAH157.1°151.9°
CADCAENAGH681.8°28.1°
CAECADCACH8178.9°179.8°
CAENAGCAHNAI40.0°43.4°
CAENAGCAHH6121.1°180.0°
CAENAGCAHCAL81.9°76.8°
CAENAGCAHH5159.2°163.6°
NAGCAECADH70.5°0.8°
NAICAMCATCAX122.7°119.9°
NAICAMCATH11118.7°120.1°
NAICAMCAXH11121.3°120.1°
NAICAMCATCAU171.3°62.3°
NAICAMCAXCAW179.6°62.3°
CAMNAICAHNAG148.2°147.1°
CAMNAICAHCAL90.7°92.6°
CAMNAICAHH528.7°27.0°
NAICAMCATH1251.5°177.8°
NAICAMCATH1369.0°57.7°
NAICAMCAXH1660.3°57.7°
NAICAMCAXH1759.4°177.8°
CATCAMCAXH11118.9°119.9°
CATCAMNAICAH61.3°134.4°
CAMCATCAUH12119.8°120.0°
CAMCATCAUH13119.8°119.9°
CAMCATCAUNAV61.2°59.2°
CATCAMCAXCAW60.6°57.7°
CAMCATH12H13120.6°120.1°
CAMCATCAUH1459.1°179.2°
CAMCATCAUH15178.5°60.8°
CATCAMCAXH1659.6°177.6°
CATCAMCAXH17179.2°62.3°
CAXCAMNAICAH58.5°14.7°
CAXCAMCATCAU66.1°57.7°
CAMCAXCAWH16120.2°119.9°
CAMCAXCAWH17120.2°119.9°
CAMCAXCAWNAV49.5°59.1°
CAXCAMCATH12174.1°62.3°
CAXCAMCATH1353.7°177.6°
CAMCAXH16H17119.4°120.1°
CAMCAXCAWH18169.9°60.8°
CAMCAXCAWH1970.8°179.2°
NAICAHCALCAR24.3°141.9°
NAICAHNAGCAL121.8°120.2°
NAICAHNAGH5119.2°120.1°
NAICAHCALH5118.7°119.6°
NAICAHCALCAN153.5°37.5°
NAICAHNAGH681.1°136.6°
CAHNAICAMH11179.7°105.5°
CATCAUNAVH14120.3°120.1°
CATCAUNAVH15120.3°120.0°
CATCAUNAVCAW51.3°61.7°
CATCAUNAVCAY80.8°174.2°
CAUCATCAMH1152.5°177.6°
CAUCATH12H13120.7°120.1°
CATCAUH14H15119.0°119.9°
CAUNAVCAWCAX44.8°61.7°
CAUNAVCAWCAY135.3°124.1°
CAUNAVCAYCAZ145.3°170.0°
NAVCAUCATH12179.0°60.8°
NAVCAUCATH1358.5°179.1°
NAVCAUH14H15119.0°120.0°
CAUNAVCAWH18165.1°58.3°
CAUNAVCAWH1975.6°178.2°
CAUNAVCAYH2125.0°50.0°
CAUNAVCAYH2294.3°70.1°
CBHCBGCBFCBL178.3°179.8°
CBHCBGCBFNBE100.4°36.1°
CBHCBGCBFNBA135.6°156.9°
CBHCBGCBLCBK1.9°0.5°
CBHCBGCBFH3018.2°83.5°
CBGCBHCBIH31179.9°180.0°
CBHCBGCBLH34178.1°179.8°
CAXCAWNAVH18120.4°120.0°
CAXCAWNAVH19120.4°120.1°
CAXCAWNAVCAY90.5°174.2°
CAWCAXCAMH1158.3°177.6°
CAWCAXH16H17119.4°120.1°
CAXCAWH18H19118.9°120.0°
CAWNAVCAYCAZ80.9°65.8°
CAWNAVCAUH1469.1°178.2°
CAWNAVCAUH15171.6°58.3°
NAVCAWCAXH1670.6°179.1°
NAVCAWCAXH17169.7°60.8°
NAVCAWH18H19118.9°120.0°
CAWNAVCAYH21158.7°174.2°
CAWNAVCAYH2239.4°54.2°
CBJCBKCBLCBG1.6°0.5°
CBJCBKCBLH33180.0°179.7°
CBKCBJCBIH31179.5°180.0°
CBJCBKCBLH34178.4°179.7°
CAQCARCALH4180.0°179.7°
CAQCARCALCAH179.7°180.0°
CARCAQCAPH3180.0°180.0°
CAQCARCALCAN2.4°0.6°
CARCAQCAPCAO1.4°0.0°
CARCAQCAPH2178.6°180.0°
CARCALCAHNAG98.5°21.1°
CARCALCAHCAN177.9°179.4°
CALCARCAQCAP2.9°0.3°
CARCALCANCAO0.5°0.6°
CARCALCANFAS179.9°179.7°
CALCARCAQH3177.1°179.7°
CARCALCAHH5143.1°98.5°
NAVCAYCAZH21120.3°120.0°
NAVCAYCAZH22120.3°119.9°
NAVCAYCAZNBA109.8°180.0°
CAYNAVCAUH14158.9°54.1°
CAYNAVCAUH1539.5°65.8°
CAYNAVCAWH1829.8°65.8°
CAYNAVCAWH19149.1°54.1°
NAVCAYH21H22119.0°120.0°
NAVCAYCAZH23130.3°60.0°
NAVCAYCAZH2410.0°60.0°
NAGCAHCALH5118.4°119.6°
NAGCAHCALCAN83.6°158.3°
CAHCALCANCAO178.5°180.0°
CAHCALCANFAS1.8°0.3°
CAHCALCARH40.3°0.3°
CALCAHNAGH6157.0°103.2°
CAQCAPCAOH2180.0°180.0°
CAQCAPCAOCAN0.5°0.0°
CAQCAPCAOH1179.5°180.0°
CAPCAQCARH4177.1°180.0°
CBGCBFNBENBA121.1°120.6°
CBGCBFNBEH30118.7°119.5°
CBGCBFNBAH30117.8°119.6°
CBFCBGCBLCBK179.7°179.8°
CBGCBFNBECBD98.7°75.9°
CBGCBFNBACAZ72.0°90.7°
CBGCBFNBACBB102.0°89.0°
CBGCBFNBEH2923.0°104.0°
CBFCBGCBLH340.3°0.0°
CBLCBGCBFNBE81.3°143.7°
CBLCBGCBFNBA42.7°22.9°
CBGCBLCBKH34180.0°179.8°
CBLCBGCBFH30160.2°96.7°
CBGCBLCBKH33178.5°179.8°
CALCANCAOCAP1.0°0.3°
CALCANCAOFAS179.7°179.8°
CALCANCAOH1179.0°179.8°
CANCALCARH4177.6°179.7°
CANCALCAHH534.8°82.1°
NBECBFNBAH30120.5°120.1°
CBFNBECBDH29121.7°179.9°
NBECBFNBACAZ166.2°149.0°
NBECBFNBACBB19.7°31.4°
CBFNBECBDCBQ168.9°149.8°
CBFNBECBDCBC12.8°29.7°
NBACBFNBECBD22.4°44.7°
CBFNBACAZCAY86.9°85.8°
CBFNBACAZCBB174.0°179.7°
CBFNBACBBCBC7.5°4.0°
CBFNBACBBOBR175.6°176.0°
CBFNBACAZH23153.2°154.1°
CBFNBACAZH2432.8°34.1°
NBACBFNBEH29144.1°135.5°
CBLCBKCBJH32179.7°179.8°
NBECBDCBQCBC178.3°179.6°
NBECBDCBQCBP178.2°179.5°
NBECBDCBCCBB1.3°0.6°
NBECBDCBCCBN177.2°179.4°
NBECBDCBQH281.8°0.6°
CBDNBECBFH30142.6°164.6°
CAYCAZNBAH23119.8°120.0°
CAYCAZNBAH24119.8°120.0°
CAYCAZNBACBB99.1°94.5°
CAZCAYH21H22119.0°120.0°
CAYCAZH23H24120.6°120.0°
CAZNBACBBCBC178.8°176.3°
CAZNBACBBOBR1.9°3.7°
NBACAZCAYH2110.5°60.0°
NBACAZCAYH22129.8°60.1°
NBACAZH23H24120.6°120.0°
CAZNBACBFH3045.8°28.9°
CAPCAOCANH1180.0°180.0°
CAPCAOCANFAS178.7°180.0°
CAOCAPCAQH3178.6°180.0°
CANCAOCAPH2179.5°180.0°
FASCANCAOH11.4°0.0°
NBACBBCBCCBD3.8°13.8°
NBACBBCBCOBR176.7°180.0°
NBACBBCBCCBN179.4°166.3°
CBBNBACAZH2320.8°25.5°
CBBNBACAZH24141.1°145.6°
CBBNBACBFH30140.2°151.4°
CBDCBQCBPH28180.0°179.9°
CBQCBDCBCCBB177.0°179.8°
CBQCBDCBCCBN1.1°0.2°
CBDCBQCBPCBO1.1°0.1°
CBDCBQCBPH27178.9°180.0°
CBQCBDNBEH2947.2°30.0°
CBCCBDCBQCBP0.1°0.1°
CBDCBCCBBCBN175.6°180.0°
CBDCBCCBBOBR172.9°166.2°
CBDCBCCBNCBO1.0°0.1°
CBDCBCCBNH25178.9°179.9°
CBCCBDCBQH28179.9°179.8°
CBCCBDNBEH29134.5°150.4°
CBQCBPCBOH27180.0°179.9°
CBQCBPCBOCBN1.2°0.1°
CBQCBPCBOH26178.8°179.9°
CBBCBCCBNCBO176.8°179.8°
CBBCBCCBNH253.2°0.2°
OBRCBBCBCCBN2.7°13.7°
CBCCBNCBOCBP0.2°0.0°
CBCCBNCBOH25180.0°180.0°
CBCCBNCBOH26179.8°180.0°
CBPCBOCBNH26180.0°179.9°
CBPCBOCBNH25179.9°180.0°
CBOCBPCBQH28178.9°180.0°
CBNCBOCBPH27178.8°179.9°
H1CAOCAPH20.5°0.0°
H2CAPCAQH31.4°0.1°
H3CAQCARH42.9°0.0°
H5CAHNAGH638.1°16.5°
H7CADCACH81.1°0.1°
H8CACCABH92.1°0.3°
H9CABCAAH103.5°0.0°
H11CAMCATH1267.3°57.7°
H11CAMCATH13172.3°62.4°
H11CAMCAXH16178.4°62.5°
H11CAMCAXH1761.9°57.6°
H12CATCAUH1460.7°59.3°
H12CATCAUH1558.7°179.2°
H13CATCAUH14178.9°60.8°
H13CATCAUH1561.8°59.1°
H16CAXCAWH1849.7°59.1°
H16CAXCAWH19169.0°60.8°
H17CAXCAWH1869.9°179.2°
H17CAXCAWH1949.4°59.3°
H21CAYCAZH23109.3°180.0°
H21CAYCAZH24130.3°60.0°
H22CAYCAZH2310.0°59.9°
H22CAYCAZH24110.4°180.0°
H25CBNCBOH260.1°0.0°
H26CBOCBPH271.2°0.0°
H27CBPCBQH281.1°0.1°
H29NBECBFH3095.7°15.5°
H31CBICBJH320.5°0.0°
H32CBJCBKH330.3°0.1°
H33CBKCBLH341.5°0.0°

222415

PDB entries from 2024-07-10

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