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NYU

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CBFNBDsing1.47Å1.46Å
NBDCBEsing1.47Å1.46Å
NBDCBCsing1.47Å1.44Å
CBCCBBsing1.53Å1.50Å
CBBOBAsing1.43Å1.42Å
OBACAXsing1.36Å1.36Å
CAXCAWdoub1.39Å1.38ÅAromatic
CAXCAYsing1.39Å1.37ÅAromatic
CAWCAVsing1.38Å1.38ÅAromatic
CAYCAZdoub1.38Å1.38ÅAromatic
CAVCAUdoub1.38Å1.38ÅAromatic
CAZCAUsing1.38Å1.38ÅAromatic
CAUCANsing1.51Å1.52Å
CASCALsing1.53Å1.53Å
OARCACsing1.36Å1.36Å
CABCACdoub1.39Å1.38ÅAromatic
CABCAAsing1.38Å1.36ÅAromatic
CACCADsing1.38Å1.37ÅAromatic
CANCAMsing1.54Å1.52Å
CANCAJsing1.52Å1.54Å
CAACAFdoub1.39Å1.39ÅAromatic
CADCAEdoub1.39Å1.39ÅAromatic
CAFCAEsing1.38Å1.39ÅAromatic
CAFCAJsing1.50Å1.52Å
CAECAGsing1.51Å1.50Å
CALCAMsing1.51Å1.52Å
CALCAKsing1.55Å1.53Å
CALCAQsing1.52Å1.54Å
CAICAJsing1.54Å1.54Å
CAICAKsing1.51Å1.51Å
CAICAHsing1.53Å1.52Å
CAGCAHsing1.53Å1.50Å
OATCAQsing1.43Å1.42Å
CAKCAOsing1.53Å1.53Å
CAQCAPsing1.55Å1.53Å
CAOCAPsing1.55Å1.55Å
CAAH1sing1.08Å1.08Å
CABH2sing1.08Å1.08Å
CADH3sing1.08Å1.08Å
CAGH4sing1.09Å1.10Å
CAGH5sing1.09Å1.10Å
CAHH6sing1.09Å1.10Å
CAHH7sing1.09Å1.10Å
CAIH8sing1.09Å1.10Å
CAJH9sing1.09Å1.10Å
CAKH10sing1.09Å1.10Å
CAMH11sing1.09Å1.10Å
CAMH12sing1.09Å1.10Å
CANH13sing1.09Å1.10Å
CAOH14sing1.09Å1.10Å
CAOH15sing1.09Å1.10Å
CAPH16sing1.09Å1.10Å
CAPH17sing1.09Å1.10Å
CAQH18sing1.09Å1.10Å
CASH19sing1.09Å1.10Å
CASH20sing1.09Å1.10Å
CASH21sing1.09Å1.10Å
CAVH22sing1.08Å1.08Å
CAWH23sing1.08Å1.08Å
CAYH24sing1.08Å1.08Å
CAZH25sing1.08Å1.08Å
CBBH26sing1.09Å1.10Å
CBBH27sing1.09Å1.10Å
CBCH28sing1.09Å1.10Å
CBCH29sing1.09Å1.10Å
CBEH30sing1.09Å1.10Å
CBEH31sing1.09Å1.10Å
CBEH32sing1.09Å1.10Å
CBFH33sing1.09Å1.10Å
CBFH34sing1.09Å1.10Å
CBFH35sing1.09Å1.10Å
OARH37sing0.97Å0.95Å
OATH38sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBFNBDCBE108.5°111.0°
CBFNBDCBC109.8°111.0°
NBDCBFH33109.5°109.5°
NBDCBFH34109.5°109.5°
NBDCBFH35109.5°109.5°
CBENBDCBC111.6°111.0°
NBDCBEH30109.5°109.5°
NBDCBEH31109.4°109.5°
NBDCBEH32109.4°109.5°
NBDCBCCBB114.2°109.4°
NBDCBCH28108.3°109.4°
NBDCBCH29108.3°109.5°
CBCCBBOBA106.3°109.4°
CBCCBBH26110.3°109.4°
CBCCBBH27110.3°109.5°
CBBCBCH28108.3°109.5°
CBBCBCH29108.3°109.5°
CBBOBACAX118.9°117.0°
OBACBBH26110.2°109.5°
OBACBBH27110.2°109.5°
OBACAXCAW119.1°120.1°
OBACAXCAY121.7°120.0°
CAWCAXCAY119.1°119.9°
CAXCAWCAV120.3°120.0°
CAXCAWH23119.8°120.0°
CAXCAYCAZ119.7°119.9°
CAXCAYH24120.1°120.0°
CAWCAVCAU121.4°120.0°
CAWCAVH22119.3°120.0°
CAVCAWH23119.8°120.0°
CAYCAZCAU122.0°120.1°
CAZCAYH24120.1°120.0°
CAYCAZH25119.0°120.0°
CAVCAUCAZ117.4°120.1°
CAVCAUCAN122.3°119.9°
CAUCAVH22119.3°120.0°
CAZCAUCAN120.4°119.9°
CAUCAZH25119.0°120.0°
CAUCANCAM111.6°109.2°
CAUCANCAJ117.2°109.5°
CAUCANH13105.6°109.2°
CASCALCAM111.9°109.6°
CASCALCAK113.3°109.7°
CASCALCAQ110.1°109.0°
CALCASH19109.5°109.4°
CALCASH20109.5°109.5°
CALCASH21109.5°109.5°
OARCACCAB122.5°120.2°
OARCACCAD118.1°120.1°
CACOARH37109.5°114.0°
CACCABCAA119.6°119.6°
CABCACCAD119.3°119.7°
CACCABH2120.2°120.1°
CABCAACAF122.5°120.7°
CABCAAH1118.7°119.7°
CAACABH2120.2°120.2°
CACCADCAE121.1°120.6°
CACCADH3119.5°119.7°
CAMCANCAJ110.5°110.6°
CANCAMCAL114.5°107.6°
CANCAMH11108.2°109.8°
CANCAMH12108.2°109.9°
CAMCANH13105.6°109.2°
CANCAJCAF118.1°111.8°
CANCAJCAI114.7°111.5°
CANCAJH9103.0°107.4°
CAJCANH13105.3°109.2°
CAACAFCAE117.4°119.9°
CAACAFCAJ120.7°118.3°
CAFCAAH1118.7°119.7°
CADCAECAF120.0°119.5°
CADCAECAG118.0°117.6°
CAECADH3119.5°119.7°
CAECAFCAJ121.5°121.8°
CAFCAECAG121.9°122.9°
CAFCAJCAI112.3°109.9°
CAFCAJH9103.2°107.9°
CAECAGCAH112.6°111.3°
CAECAGH4108.7°109.1°
CAECAGH5108.7°109.1°
CAMCALCAK108.1°108.1°
CAMCALCAQ113.5°116.9°
CALCAMH11108.2°109.9°
CALCAMH12108.2°109.8°
CAKCALCAQ99.3°103.3°
CALCAKCAI112.8°106.4°
CALCAKCAO103.8°101.5°
CALCAKH10106.1°111.5°
CALCAQOAT114.9°110.3°
CALCAQCAP105.2°105.4°
CALCAQH18107.5°110.2°
CAJCAICAK107.5°107.1°
CAJCAICAH110.3°107.7°
CAJCAIH8109.1°109.8°
CAICAJH9103.0°108.2°
CAKCAICAH111.3°111.6°
CAICAKCAO121.0°116.0°
CAKCAIH8109.4°109.8°
CAICAKH10106.2°110.5°
CAICAHCAG110.7°108.2°
CAICAHH6109.1°109.7°
CAICAHH7109.2°109.8°
CAHCAIH8109.3°110.9°
CAHCAGH4108.7°109.1°
CAHCAGH5108.6°109.1°
CAGCAHH6109.2°109.7°
CAGCAHH7109.2°109.7°
OATCAQCAP112.3°110.2°
OATCAQH18109.1°110.3°
CAQOATH38109.5°114.0°
CAKCAOCAP102.8°102.9°
CAOCAKH10106.0°110.6°
CAKCAOH14111.1°110.7°
CAKCAOH15111.1°110.7°
CAQCAPCAO106.1°106.4°
CAQCAPH16110.3°110.1°
CAQCAPH17110.3°110.1°
CAPCAQH18107.5°110.3°
CAPCAOH14111.1°110.7°
CAPCAOH15111.1°110.7°
CAOCAPH16110.3°110.1°
CAOCAPH17110.3°110.1°
H4CAGH5109.5°109.1°
H6CAHH7109.5°109.7°
H11CAMH12109.5°109.8°
H14CAOH15109.5°110.8°
H16CAPH17109.5°110.0°
H19CASH20109.5°109.5°
H19CASH21109.5°109.5°
H20CASH21109.4°109.5°
H26CBBH27109.4°109.5°
H28CBCH29109.5°109.5°
H30CBEH31109.5°109.4°
H30CBEH32109.5°109.4°
H31CBEH32109.5°109.5°
H33CBFH34109.5°109.5°
H33CBFH35109.4°109.5°
H34CBFH35109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CBFNBDCBECBC121.1°123.9°
CBFNBDCBCCBB177.1°170.0°
CBFNBDCBCH2856.4°70.0°
CBFNBDCBCH2962.2°50.1°
CBFNBDCBEH30180.0°56.0°
CBFNBDCBEH3160.0°176.0°
CBFNBDCBEH3260.0°63.9°
NBDCBFH33H34120.0°120.0°
NBDCBFH33H35120.0°120.0°
NBDCBFH34H35120.0°120.0°
CBENBDCBCCBB62.5°66.0°
CBENBDCBCH28176.8°54.0°
CBENBDCBCH2958.2°174.0°
NBDCBEH30H31120.0°120.0°
NBDCBEH30H32120.0°120.0°
NBDCBEH31H32119.9°120.1°
CBENBDCBFH33180.0°64.9°
CBENBDCBFH3460.0°175.1°
CBENBDCBFH3560.0°55.1°
NBDCBCCBBH28120.7°120.0°
NBDCBCCBBH29120.7°120.0°
NBDCBCCBBOBA88.1°64.4°
NBDCBCCBBH2631.4°175.6°
NBDCBCCBBH27152.4°55.6°
NBDCBCH28H29117.9°120.0°
CBCNBDCBEH3058.9°180.0°
CBCNBDCBEH3161.1°60.1°
CBCNBDCBEH32178.9°60.0°
CBCNBDCBFH3357.7°59.0°
CBCNBDCBFH34177.7°61.0°
CBCNBDCBFH3562.2°179.0°
CBCCBBOBAH26119.5°119.9°
CBCCBBOBAH27119.5°120.0°
CBCCBBOBACAX173.3°180.0°
CBCCBBH26H27121.5°120.0°
CBBCBCH28H29117.9°120.0°
CBBOBACAXCAW178.4°180.0°
CBBOBACAXCAY0.3°0.2°
OBACBBH26H27121.4°120.0°
OBACBBCBCH28151.2°175.6°
OBACBBCBCH2932.6°55.5°
OBACAXCAWCAY178.7°179.9°
OBACAXCAWCAV179.6°179.9°
OBACAXCAYCAZ179.2°179.8°
OBACAXCAWH230.5°0.0°
OBACAXCAYH240.8°0.2°
CAXOBACBBH2667.2°60.1°
CAXOBACBBH2753.7°59.9°
CAXCAWCAVH23180.0°179.9°
CAWCAXCAYCAZ2.1°0.4°
CAXCAWCAVCAU0.3°0.0°
CAXCAWCAVH22179.7°180.0°
CAWCAXCAYH24177.9°180.0°
CAYCAXCAWCAV0.8°0.0°
CAXCAYCAZH24180.0°179.6°
CAXCAYCAZCAU2.3°0.7°
CAYCAXCAWH23179.2°179.9°
CAXCAYCAZH25177.7°180.0°
CAWCAVCAUH22180.0°180.0°
CAWCAVCAUCAZ0.2°0.3°
CAWCAVCAUCAN179.0°180.0°
CAYCAZCAUCAV1.1°0.6°
CAYCAZCAUH25180.0°179.4°
CAYCAZCAUCAN179.7°179.7°
CAVCAUCAZCAN179.2°179.7°
CAVCAUCANCAM117.5°53.9°
CAVCAUCANCAJ11.4°175.1°
CAVCAUCANH13128.3°65.5°
CAUCAVCAWH23179.7°179.9°
CAVCAUCAZH25178.9°180.0°
CAZCAUCANCAM61.7°126.5°
CAZCAUCANCAJ169.5°5.3°
CAZCAUCANH1352.6°114.2°
CAZCAUCAVH22179.8°179.8°
CAUCAZCAYH24177.7°179.7°
CAUCANCAMCAJ132.3°120.5°
CAUCANCAMH13114.3°119.3°
CAUCANCAJH13117.1°119.5°
CAUCANCAJCAF56.0°59.1°
CAUCANCAMCAL82.4°63.3°
CAUCANCAJCAI80.0°64.4°
CAUCANCAJH9168.8°177.3°
CAUCANCAMH11156.9°56.2°
CAUCANCAMH1238.4°177.1°
CANCAUCAVH221.0°0.1°
CANCAUCAZH250.3°0.3°
CASCALCAMCAN70.2°55.6°
CASCALCAMCAK125.4°119.5°
CASCALCAMCAQ125.4°124.7°
CASCALCAKCAQ116.8°116.1°
CASCALCAKCAI63.6°50.1°
CASCALCAQOAT43.9°31.8°
CASCALCAKCAO69.0°71.6°
CASCALCAQCAP80.1°87.1°
CASCALCAKH10179.5°170.6°
CASCALCAMH11169.1°63.8°
CASCALCAMH1250.5°175.2°
CASCALCAQH18165.5°153.9°
CALCASH19H20120.0°120.0°
CALCASH19H21120.0°120.0°
CALCASH20H21120.0°120.0°
OARCACCABCAD177.4°180.0°
OARCACCABCAA178.3°179.7°
OARCACCADCAE178.3°179.8°
OARCACCABH21.7°0.2°
OARCACCADH31.7°0.2°
CACCABCAAH2180.0°180.0°
CACCABCAACAF1.1°0.0°
CABCACCADCAE0.8°0.2°
CACCABCAAH1179.0°179.8°
CABCACCADH3179.2°179.8°
CABCACOARH37180.0°90.0°
CAACABCACCAD0.9°0.3°
CABCAACAFH1180.0°179.8°
CABCAACAFCAE3.0°0.5°
CABCAACAFCAJ176.2°178.6°
CACCADCAEH3180.0°180.0°
CACCADCAECAF1.3°0.3°
CACCADCAECAG178.5°179.4°
CADCACCABH2179.1°179.7°
CADCACOARH372.6°90.0°
CAMCANCAJH13113.5°120.1°
CAMCANCAJCAF174.7°179.5°
CANCAMCALH11120.7°119.4°
CANCAMCALH12120.7°119.6°
CANCAMCALCAK55.3°63.8°
CANCAMCALCAQ164.4°179.7°
CAMCANCAJCAI49.3°56.0°
CAMCANCAJH961.8°62.3°
CANCAMH11H12117.7°121.0°
CANCAJCAFCAA31.3°34.4°
CANCAJCAFCAE155.8°146.5°
CANCAJCAFCAI137.0°124.4°
CANCAJCAFH9112.7°117.9°
CAJCANCAMCAL50.0°57.2°
CANCAJCAIH9111.1°117.8°
CANCAJCAICAK53.9°60.0°
CANCAJCAICAH175.3°179.9°
CANCAJCAIH864.6°59.1°
CAJCANCAMH1170.7°176.7°
CAJCANCAMH12170.7°62.4°
CAACAFCAECAD3.1°0.6°
CAACAFCAECAJ173.1°179.1°
CAACAFCAECAG179.8°179.0°
CAACAFCAJCAI168.3°158.8°
CAFCAACABH2178.9°179.9°
CAACAFCAJH981.4°83.5°
CADCAECAFCAG177.2°179.6°
CADCAECAFCAJ176.1°178.5°
CADCAECAGCAH160.6°165.1°
CADCAECAGH478.9°74.5°
CADCAECAGH540.2°44.6°
CAECAFCAJCAI18.8°22.1°
CAFCAECAGCAH22.2°15.3°
CAECAFCAAH1177.0°179.7°
CAFCAECADH3178.8°179.7°
CAFCAECAGH498.3°105.2°
CAFCAECAGH5142.6°135.7°
CAECAFCAJH991.4°95.6°
CAJCAFCAECAG6.7°1.9°
CAFCAJCAIH9110.4°117.6°
CAFCAJCAICAK167.6°175.4°
CAFCAJCAICAH46.1°55.3°
CAJCAFCAAH13.9°1.1°
CAFCAJCAIH874.0°65.5°
CAFCAJCANH1361.1°60.4°
CAECAGCAHCAI50.0°48.6°
CAECAGCAHH4120.5°120.5°
CAECAGCAHH5120.5°120.4°
CAGCAECADH31.5°0.6°
CAECAGH4H5118.6°119.1°
CAECAGCAHH670.2°168.3°
CAECAGCAHH7170.2°71.2°
CAMCALCAKCAQ118.6°124.5°
CAMCALCAKCAI61.0°69.3°
CAMCALCAQOAT82.5°93.1°
CAMCALCAKCAO166.3°169.0°
CAMCALCAQCAP153.5°147.9°
CAMCALCAKH1054.8°51.2°
CALCAMH11H12117.7°120.9°
CALCAMCANH13163.4°177.3°
CAMCALCAQH1839.1°28.9°
CAMCALCASH19180.0°75.8°
CAMCALCASH2060.0°164.2°
CAMCALCASH2160.0°44.2°
CALCAKCAICAJ59.9°65.0°
CALCAKCAICAO123.6°112.0°
CALCAKCAIH10115.8°121.2°
CALCAKCAICAH179.3°177.4°
CAKCALCAQOAT163.1°148.3°
CALCAKCAOH10111.6°118.4°
CAKCALCAQCAP39.0°29.4°
CALCAKCAOCAP38.0°41.6°
CALCAKCAIH858.4°54.1°
CAKCALCAMH1165.4°176.7°
CAKCALCAMH12176.0°55.8°
CALCAKCAOH1480.9°76.7°
CALCAKCAOH15156.9°160.0°
CAKCALCAQH1875.4°89.6°
CAKCALCASH1957.5°42.7°
CAKCALCASH20177.5°77.3°
CAKCALCASH2162.5°162.7°
CAQCALCAKCAI179.6°166.2°
CALCAQOATCAP120.2°115.9°
CALCAQOATH18120.7°122.0°
CAQCALCAKCAO47.7°44.5°
CALCAQCAPH18114.4°119.0°
CALCAQCAPCAO16.6°3.6°
CAQCALCAKH1063.8°73.3°
CAQCALCAMH1143.7°60.8°
CAQCALCAMH1274.9°60.1°
CALCAQCAPH16136.0°115.7°
CALCAQCAPH17102.9°122.8°
CAQCALCASH1952.7°155.1°
CAQCALCASH2067.3°35.1°
CAQCALCASH21172.7°84.9°
CALCAQOATH38180.0°180.0°
CAJCAICAKCAH120.8°117.6°
CAJCAICAKH8118.3°119.1°
CAJCAICAHH8119.9°120.1°
CAJCAICAHCAG63.2°70.4°
CAJCAICAKCAO176.5°177.0°
CAJCAICAHH657.0°169.9°
CAJCAICAHH7176.6°49.3°
CAJCAICAKH1055.8°56.2°
CAICAJCANH13162.9°176.1°
CAKCAICAHH8120.9°122.7°
CAKCAICAHCAG177.6°172.4°
CAICAKCAOH10120.7°126.8°
CAICAKCAOCAP165.7°156.4°
CAKCAICAHH662.2°52.6°
CAKCAICAHH757.4°67.9°
CAKCAICAJH957.2°57.8°
CAICAKCAOH1446.8°38.1°
CAICAKCAOH1575.3°85.3°
CAICAHCAGH6120.2°119.7°
CAICAHCAGH7120.2°119.8°
CAHCAICAKCAO55.6°65.4°
CAICAHCAGH470.5°71.9°
CAICAHCAGH5170.4°169.0°
CAICAHH6H7119.4°120.6°
CAHCAICAJH964.3°62.3°
CAHCAICAKH1065.0°61.4°
CAHCAGH4H5118.5°119.1°
CAGCAHH6H7119.4°120.6°
CAGCAHCAIH856.7°49.7°
OATCAQCAPH18120.0°122.1°
OATCAQCAPCAO142.2°122.6°
OATCAQCAPH1698.3°3.3°
OATCAQCAPH1722.7°118.2°
CAKCAOCAPCAQ12.8°23.9°
CAKCAOCAPH14118.9°118.4°
CAKCAOCAPH15119.0°118.3°
CAOCAKCAIH865.3°57.9°
CAKCAOH14H15123.1°123.2°
CAKCAOCAPH16106.7°143.2°
CAKCAOCAPH17132.3°95.3°
CAQCAPCAOH16119.5°119.3°
CAQCAPCAOH17119.5°119.2°
CAQCAPCAOH14106.1°94.4°
CAQCAPCAOH15131.7°142.3°
CAQCAPH16H17121.5°121.5°
CAPCAQOATH3859.8°64.1°
CAPCAOCAKH1073.6°76.8°
CAPCAOH14H15123.1°123.2°
CAOCAPH16H17121.6°121.5°
CAOCAPCAQH1897.8°115.4°
H1CAACABH21.1°0.2°
H4CAGCAHH6169.3°47.8°
H4CAGCAHH749.7°168.4°
H5CAGCAHH650.3°71.3°
H5CAGCAHH769.3°49.3°
H6CAHCAIH8176.9°70.0°
H7CAHCAIH863.5°169.4°
H8CAICAJH9175.7°177.0°
H8CAICAKH10174.1°175.3°
H9CAJCANH1351.8°57.8°
H10CAKCAOH14167.5°164.8°
H10CAKCAOH1545.4°41.5°
H11CAMCANH1342.7°63.2°
H12CAMCANH1375.9°57.8°
H14CAOCAPH16134.4°24.9°
H14CAOCAPH1713.3°146.4°
H15CAOCAPH1612.3°98.4°
H15CAOCAPH17108.8°23.0°
H16CAPCAQH1821.7°125.4°
H17CAPCAQH18142.7°3.9°
H18CAQOATH3859.2°58.0°
H19CASH20H21120.0°120.0°
H22CAVCAWH230.3°0.0°
H24CAYCAZH252.3°0.4°
H26CBBCBCH2889.3°55.6°
H26CBBCBCH29152.1°64.4°
H27CBBCBCH2831.7°64.4°
H27CBBCBCH2986.9°175.6°
H30CBEH31H32120.0°119.9°
H33CBFH34H35120.0°120.0°

222415

PDB entries from 2024-07-10

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