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E1J

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1CARsing1.53Å1.52Å
C1N2sing1.47Å1.47Å
CAZCAYsing1.54Å1.52Å
CAZCBAsing1.55Å1.52Å
CAROAQsing1.43Å1.42Å
CAYNAXsing1.48Å1.46Å
CBACBBsing1.55Å1.52Å
OAQCAPsing1.36Å1.37Å
CAOCAPdoub1.38Å1.38ÅAromatic
CAOC4sing1.40Å1.38ÅAromatic
N3C4doub1.34Å1.35ÅAromatic
N3C2sing1.32Å1.35ÅAromatic
NAXC2sing1.38Å1.39Å
NAXCBBsing1.48Å1.45Å
CAPCASsing1.40Å1.38ÅAromatic
C4C5sing1.42Å1.40ÅAromatic
C2N1doub1.33Å1.36ÅAromatic
CASOATsing1.36Å1.37Å
CASCAVdoub1.37Å1.40ÅAromatic
C5CAVsing1.40Å1.40ÅAromatic
C5C6doub1.42Å1.40ÅAromatic
N1C6sing1.33Å1.35ÅAromatic
OATCAUsing1.43Å1.43Å
C6NAIsing1.38Å1.35Å
NAICAHsing1.47Å1.46Å
CAHCAGsing1.53Å1.53Å
CAGCAFsing1.53Å1.52Å
CAFNAEsing1.46Å1.44Å
NAECACsing1.35Å1.34Å
OADCACdoub1.22Å1.24Å
CACCABsing1.47Å1.52Å
CABCAAdoub1.33Å1.50Å
N2H1sing1.01Å1.00Å
N2H2sing1.01Å1.00Å
C1H4sing1.09Å1.10Å
C1H5sing1.09Å1.10Å
CAAH6sing1.08Å1.08Å
CAAH7sing1.08Å1.08Å
CABH9sing1.08Å1.08Å
CAFH11sing1.09Å1.10Å
CAFH12sing1.09Å1.10Å
CAGH13sing1.09Å1.10Å
CAGH14sing1.09Å1.10Å
CAHH15sing1.09Å1.10Å
CAHH16sing1.09Å1.10Å
CAOH17sing1.08Å1.08Å
CARH18sing1.09Å1.10Å
CARH19sing1.09Å1.10Å
CAUH20sing1.09Å1.10Å
CAUH21sing1.09Å1.10Å
CAUH22sing1.09Å1.10Å
CAVH23sing1.08Å1.08Å
CAYH24sing1.09Å1.10Å
CAYH25sing1.09Å1.10Å
CAZH26sing1.09Å1.10Å
CAZH27sing1.09Å1.10Å
CBAH28sing1.09Å1.10Å
CBAH29sing1.09Å1.10Å
CBBH30sing1.09Å1.10Å
CBBH31sing1.09Å1.10Å
NAEH32sing0.97Å1.00Å
NAIH33sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CARC1N2109.1°109.5°
C1CAROAQ106.2°109.5°
CARC1H4109.6°109.4°
CARC1H5109.5°109.5°
C1CARH18110.3°109.5°
C1CARH19110.3°109.4°
C1N2H1109.5°111.0°
C1N2H2109.5°111.0°
N2C1H4109.6°109.5°
N2C1H5109.6°109.5°
CAYCAZCBA106.4°103.0°
CAZCAYNAX101.4°107.2°
CAZCAYH24111.5°109.9°
CAZCAYH25111.4°110.1°
CAYCAZH26110.2°110.7°
CAYCAZH27110.2°110.7°
CAZCBACBB107.3°101.7°
CBACAZH26110.2°110.7°
CBACAZH27110.2°110.8°
CAZCBAH28110.0°111.0°
CAZCBAH29110.0°111.0°
CAROAQCAP122.8°117.0°
OAQCARH18110.3°109.5°
OAQCARH19110.3°109.5°
CAYNAXC2120.3°111.0°
CAYNAXCBB117.9°108.6°
NAXCAYH24111.5°109.9°
NAXCAYH25111.5°109.9°
CBACBBNAX99.1°104.8°
CBBCBAH28110.0°111.0°
CBBCBAH29110.0°111.0°
CBACBBH30112.0°110.4°
CBACBBH31112.0°110.3°
OAQCAPCAO120.3°119.7°
OAQCAPCAS118.4°119.7°
CAPCAOC4118.4°119.5°
CAOCAPCAS121.2°120.7°
CAPCAOH17120.8°120.2°
CAOC4N3119.1°121.8°
CAOC4C5121.6°119.5°
C4CAOH17120.8°120.2°
C4N3C2120.5°120.4°
N3C4C5119.3°118.8°
N3C2NAX117.7°118.6°
N3C2N1121.6°122.8°
C2NAXCBB121.6°111.0°
NAXC2N1120.6°118.6°
NAXCBBH30112.0°110.4°
NAXCBBH31112.0°110.5°
CAPCASOAT118.5°119.6°
CAPCASCAV120.8°120.7°
C4C5CAV119.6°119.8°
C4C5C6119.0°118.3°
C2N1C6120.1°121.4°
OATCASCAV120.7°119.7°
CASOATCAU118.7°117.0°
CASCAVC5118.4°119.8°
CASCAVH23120.8°120.1°
CAVC5C6121.4°121.9°
C5CAVH23120.8°120.2°
C5C6N1119.5°118.4°
C5C6NAI121.7°120.8°
N1C6NAI118.7°120.9°
OATCAUH20109.5°109.5°
OATCAUH21109.5°109.5°
OATCAUH22109.5°109.5°
C6NAICAH120.2°120.0°
C6NAIH33106.7°120.0°
NAICAHCAG113.2°109.5°
NAICAHH15108.5°109.4°
NAICAHH16108.5°109.5°
CAHNAIH33106.7°120.0°
CAHCAGCAF111.1°109.5°
CAHCAGH13109.0°109.5°
CAHCAGH14109.0°109.5°
CAGCAHH15108.5°109.5°
CAGCAHH16108.5°109.5°
CAGCAFNAE114.4°109.5°
CAGCAFH11108.2°109.5°
CAGCAFH12108.2°109.4°
CAFCAGH13109.1°109.4°
CAFCAGH14109.1°109.5°
CAFNAECAC121.7°120.0°
NAECAFH11108.2°109.5°
NAECAFH12108.2°109.5°
CAFNAEH32119.1°120.0°
NAECACOAD121.4°120.0°
NAECACCAB117.3°120.0°
CACNAEH32119.1°119.9°
OADCACCAB121.3°120.0°
CACCABCAA110.6°120.0°
CACCABH9124.7°120.0°
CABCAAH6120.0°120.0°
CABCAAH7120.0°120.0°
CAACABH9124.7°120.0°
H1N2H2109.5°111.0°
H4C1H5109.5°109.4°
H6CAAH7120.0°120.0°
H11CAFH12109.5°109.4°
H13CAGH14109.5°109.4°
H15CAHH16109.5°109.5°
H18CARH19109.5°109.5°
H20CAUH21109.5°109.4°
H20CAUH22109.5°109.5°
H21CAUH22109.5°109.4°
H24CAYH25109.4°109.9°
H26CAZH27109.5°110.8°
H28CBAH29109.5°110.9°
H30CBBH31109.5°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CARC1N2H4120.0°120.0°
CARC1N2H5119.9°120.1°
C1CAROAQH18119.5°120.0°
C1CAROAQH19119.5°119.9°
C1CAROAQCAP177.4°180.0°
CARC1N2H1180.0°56.0°
CARC1N2H260.0°180.0°
CARC1H4H5120.1°120.0°
C1CARH18H19121.5°119.9°
N2C1CAROAQ61.9°65.0°
C1N2H1H2120.0°124.0°
N2C1H4H5120.2°120.0°
N2C1CARH1857.6°175.0°
N2C1CARH19178.7°55.0°
CAYCAZCBAH26119.5°118.3°
CAYCAZCBAH27119.5°118.4°
CAZCAYNAXH24118.7°119.4°
CAZCAYNAXH25118.7°119.6°
CAYCAZCBACBB26.3°35.7°
CAZCAYNAXC2179.8°123.3°
CAZCAYNAXCBB5.4°1.0°
CAZCAYH24H25123.7°121.3°
CAYCAZH26H27121.4°123.1°
CAYCAZCBAH28145.9°153.7°
CAYCAZCBAH2993.4°82.5°
CBACAZCAYNAX13.0°22.3°
CAZCBACBBH28119.6°118.1°
CAZCBACBBH29119.7°118.1°
CAZCBACBBNAX27.3°37.1°
CBACAZCAYH24105.7°97.1°
CBACAZCAYH25131.7°141.7°
CBACAZH26H27121.4°123.3°
CAZCBAH28H29121.0°123.9°
CAZCBACBBH3091.0°81.7°
CAZCBACBBH31145.5°156.0°
CAROAQCAPCAO4.8°0.0°
CAROAQCAPCAS176.6°180.0°
OAQCARC1H458.1°55.0°
OAQCARC1H5178.2°175.0°
OAQCARH18H19121.5°120.0°
CAYNAXCBBCBA20.7°24.1°
CAYNAXC2N36.9°0.0°
CAYNAXC2CBB174.2°120.9°
CAYNAXC2N1177.2°180.0°
NAXCAYH24H25123.7°121.0°
NAXCAYCAZH26106.5°96.1°
NAXCAYCAZH27132.5°140.7°
CAYNAXCBBH3097.6°94.7°
CAYNAXCBBH31138.9°142.9°
CBACBBNAXC2164.9°146.4°
CBACBBNAXH30118.3°118.8°
CBACBBNAXH31118.3°118.8°
CBBCBACAZH2693.2°82.7°
CBBCBACAZH27145.8°154.1°
CBBCBAH28H29121.0°123.8°
CBACBBH30H31124.9°122.2°
OAQCAPCAOCAS178.6°179.9°
OAQCAPCAOC4179.0°180.0°
OAQCAPCASOAT1.1°0.0°
OAQCAPCASCAV179.4°179.8°
OAQCAPCAOH171.0°0.0°
CAPOAQCARH1863.1°60.0°
CAPOAQCARH1957.9°60.1°
CAPCAOC4H17180.0°180.0°
CAPCAOC4N3179.8°179.7°
CAPCAOC4C50.2°0.0°
CAOCAPCASOAT179.7°180.0°
CAOCAPCASCAV0.8°0.3°
CAOC4N3C5180.0°179.7°
CAOC4N3C2179.7°179.7°
C4CAOCAPCAS0.4°0.0°
CAOC4C5CAV0.3°0.3°
CAOC4C5C6179.3°179.7°
C4N3C2NAX177.3°180.0°
C4N3C2N11.4°0.0°
N3C4C5CAV179.7°180.0°
N3C4C5C60.8°0.0°
N3C4CAOH170.3°0.3°
N3C2NAXN1175.9°180.0°
N3C2NAXCBB167.3°120.8°
C2N3C4C50.2°0.0°
N3C2N1C61.5°0.1°
NAXC2N1C6177.3°180.0°
C2NAXCAYH2461.5°117.3°
C2NAXCAYH2561.1°3.7°
C2NAXCBBH3076.8°27.6°
C2NAXCBBH3146.7°94.8°
CBBNAXC2N18.6°59.1°
CBBNAXCAYH24124.1°120.4°
CBBNAXCAYH25113.3°118.6°
NAXCBBCBAH28146.9°155.2°
NAXCBBCBAH2992.4°81.0°
NAXCBBH30H31124.8°122.4°
CAPCASOATCAV179.5°179.7°
CAPCASCAVC50.8°0.5°
CAPCASOATCAU166.6°180.0°
CASCAPCAOH17179.5°179.9°
CAPCASCAVH23179.2°180.0°
C4C5CAVCAS0.6°0.5°
C4C5CAVC6179.5°180.0°
C4C5C6N10.6°0.0°
C4C5C6NAI179.8°180.0°
C5C4CAOH17179.8°180.0°
C4C5CAVH23179.5°180.0°
C2N1C6C50.5°0.1°
C2N1C6NAI178.7°179.9°
OATCASCAVC5179.7°179.7°
CASOATCAUH20180.0°180.0°
CASOATCAUH2160.0°60.0°
CASOATCAUH2260.0°60.0°
OATCASCAVH230.3°0.3°
CASCAVC5H23180.0°179.4°
CASCAVC5C6179.0°179.5°
CAVCASOATCAU13.0°0.2°
CAVC5C6N1179.9°180.0°
CAVC5C6NAI0.7°0.0°
C5C6N1NAI179.2°180.0°
C5C6NAICAH178.7°180.0°
C6C5CAVH231.0°0.0°
C5C6NAIH3357.1°0.0°
N1C6NAICAH0.5°0.0°
N1C6NAIH33122.0°180.0°
OATCAUH20H21120.0°120.0°
OATCAUH20H22120.0°120.0°
OATCAUH21H22120.0°120.0°
C6NAICAHH33121.5°179.9°
C6NAICAHCAG94.6°180.0°
C6NAICAHH1525.9°60.0°
C6NAICAHH16144.8°60.0°
NAICAHCAGH15120.5°120.0°
NAICAHCAGH16120.6°120.0°
NAICAHCAGCAF46.9°180.0°
NAICAHCAGH1373.3°60.0°
NAICAHCAGH14167.2°60.0°
NAICAHH15H16118.3°120.0°
CAHCAGCAFH13120.2°120.0°
CAHCAGCAFH14120.2°120.1°
CAHCAGCAFNAE177.8°180.0°
CAHCAGCAFH1157.1°59.9°
CAHCAGCAFH1261.5°60.0°
CAHCAGH13H14119.2°120.1°
CAGCAHH15H16118.3°120.0°
CAGCAHNAIH33143.9°0.0°
CAGCAFNAEH11120.7°120.1°
CAGCAFNAEH12120.7°120.0°
CAGCAFNAECAC169.1°179.9°
CAGCAFH11H12117.8°119.9°
CAFCAGH13H14119.3°119.9°
CAFCAGCAHH15167.5°60.1°
CAFCAGCAHH1673.6°60.0°
CAGCAFNAEH3210.9°0.0°
CAFNAECACH32180.0°179.9°
CAFNAECACOAD9.0°0.1°
CAFNAECACCAB171.0°180.0°
NAECAFH11H12117.8°120.0°
NAECAFCAGH1362.0°60.0°
NAECAFCAGH1457.6°59.9°
NAECACOADCAB180.0°179.9°
NAECACCABCAA132.6°179.9°
NAECACCABH947.4°0.1°
CACNAECAFH1170.2°60.0°
CACNAECAFH1248.4°59.9°
OADCACCABCAA47.4°0.0°
OADCACCABH9132.6°180.0°
OADCACNAEH32171.0°180.0°
CACCABCAAH9180.0°180.0°
CACCABCAAH60.0°0.1°
CACCABCAAH7180.0°180.0°
CABCACNAEH329.0°0.1°
CABCAAH6H7180.0°179.9°
H1N2C1H460.0°176.0°
H1N2C1H560.1°64.0°
H2N2C1H4180.0°60.0°
H2N2C1H559.9°60.0°
H4C1CARH18177.6°65.0°
H4C1CARH1961.4°175.0°
H5C1CARH1862.3°55.0°
H5C1CARH1958.7°65.0°
H6CAACABH9180.0°179.9°
H7CAACABH90.0°0.0°
H11CAFCAGH13177.3°60.1°
H11CAFCAGH1463.2°180.0°
H11CAFNAEH32109.8°120.1°
H12CAFCAGH1358.7°180.0°
H12CAFCAGH14178.3°60.1°
H12CAFNAEH32131.6°120.0°
H13CAGCAHH1547.2°180.0°
H13CAGCAHH16166.1°60.0°
H14CAGCAHH1572.2°60.0°
H14CAGCAHH1646.6°180.0°
H15CAHNAIH3395.6°120.0°
H16CAHNAIH3323.3°119.9°
H20CAUH21H22120.0°120.0°
H24CAYCAZH26134.8°144.5°
H24CAYCAZH2713.8°21.3°
H25CAYCAZH2612.2°23.4°
H25CAYCAZH27108.8°99.8°
H26CAZCBAH2826.4°35.4°
H26CAZCBAH29147.1°159.2°
H27CAZCBAH2894.6°87.9°
H27CAZCBAH2926.1°35.9°
H28CBACBBH3028.6°36.4°
H28CBACBBH3194.8°85.9°
H29CBACBBH30149.3°160.1°
H29CBACBBH3125.8°37.9°

222415

PDB entries from 2024-07-10

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