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2S9

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NAACADtrip1.14Å1.14Å
CADCAZsing1.43Å1.43Å
CAZCAGdoub1.40Å1.39ÅAromatic
CAZCAHsing1.40Å1.39ÅAromatic
CAGCAJsing1.38Å1.39ÅAromatic
CAHCAKdoub1.38Å1.39ÅAromatic
CAECAFdoub1.38Å1.38ÅAromatic
CAECAIsing1.38Å1.40ÅAromatic
CAFCAYsing1.39Å1.38ÅAromatic
CAJCBAdoub1.39Å1.39ÅAromatic
CAKCBAsing1.39Å1.39ÅAromatic
CBAOAXsing1.36Å1.36Å
OAXCAPsing1.43Å1.43Å
CAICBBdoub1.38Å1.40ÅAromatic
CAWCATsing1.53Å1.54Å
CAWNBEsing1.47Å1.48Å
CAYFACsing1.35Å1.39Å
CAYCALdoub1.38Å1.40ÅAromatic
CAUNBEsing1.47Å1.48Å
CAUCAOsing1.53Å1.54Å
CAPCAOsing1.53Å1.54Å
CATCBDsing1.53Å1.53Å
NBECAVsing1.47Å1.48Å
CBBCALsing1.38Å1.40ÅAromatic
CBBCBFsing1.51Å1.42Å
CBDCBFsing1.53Å1.56Å
CBDCASsing1.53Å1.53Å
CAVCASsing1.53Å1.54Å
CBFOABsing1.43Å1.43Å
CBFCBCsing1.53Å1.57Å
CAQCBCsing1.55Å1.55Å
CAQCAMsing1.54Å1.57Å
CBCCARsing1.55Å1.53Å
CARCANsing1.54Å1.55Å
CAMCANsing1.54Å1.50Å
CALH1sing1.08Å1.08Å
CAFH2sing1.08Å1.08Å
CAEH3sing1.08Å1.08Å
CAIH4sing1.08Å1.08Å
CBCH5sing1.09Å1.10Å
CAQH6sing1.09Å1.10Å
CAQH7sing1.09Å1.10Å
CAMH8sing1.09Å1.10Å
CAMH9sing1.09Å1.10Å
CANH10sing1.09Å1.10Å
CANH11sing1.09Å1.10Å
CARH12sing1.09Å1.10Å
CARH13sing1.09Å1.10Å
OABH14sing0.97Å0.95Å
CBDH15sing1.09Å1.10Å
CATH16sing1.09Å1.10Å
CATH17sing1.09Å1.10Å
CAWH18sing1.09Å1.10Å
CAWH19sing1.09Å1.10Å
CASH20sing1.09Å1.10Å
CASH21sing1.09Å1.10Å
CAVH22sing1.09Å1.10Å
CAVH23sing1.09Å1.10Å
CAUH25sing1.09Å1.10Å
CAUH26sing1.09Å1.10Å
CAOH27sing1.09Å1.10Å
CAOH28sing1.09Å1.10Å
CAPH29sing1.09Å1.10Å
CAPH30sing1.09Å1.10Å
CAJH31sing1.08Å1.08Å
CAGH32sing1.08Å1.08Å
CAHH33sing1.08Å1.08Å
CAKH34sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
NAACADCAZ179.3°180.0°
CADCAZCAG119.3°120.1°
CADCAZCAH120.7°120.1°
CAGCAZCAH120.0°119.8°
CAZCAGCAJ119.9°119.9°
CAZCAGH32120.1°120.0°
CAZCAHCAK120.2°119.9°
CAZCAHH33119.9°120.1°
CAGCAJCBA120.4°120.1°
CAGCAJH31119.8°119.9°
CAJCAGH32120.0°120.1°
CAHCAKCBA119.7°120.1°
CAKCAHH33119.9°120.0°
CAHCAKH34120.1°119.9°
CAFCAECAI120.9°120.0°
CAECAFCAY119.1°120.0°
CAECAFH2120.4°120.0°
CAFCAEH3119.6°120.0°
CAECAICBB120.9°120.1°
CAICAEH3119.5°120.0°
CAECAIH4119.5°120.0°
CAFCAYFAC117.0°120.0°
CAFCAYCAL120.3°119.9°
CAYCAFH2120.4°120.0°
CAJCBACAK120.0°120.2°
CAJCBAOAX118.5°119.9°
CBACAJH31119.8°120.0°
CAKCBAOAX121.6°119.9°
CBACAKH34120.2°120.0°
CBAOAXCAP115.6°116.9°
OAXCAPCAO109.0°109.5°
OAXCAPH29109.6°109.5°
OAXCAPH30109.6°109.5°
CAICBBCAL117.5°120.0°
CAICBBCBF121.8°120.0°
CBBCAIH4119.5°120.0°
CATCAWNBE113.2°109.5°
CAWCATCBD110.1°109.2°
CAWCATH16109.3°109.5°
CAWCATH17109.3°109.6°
CATCAWH18108.5°109.5°
CATCAWH19108.5°109.4°
CAWNBECAU108.9°111.0°
CAWNBECAV108.7°111.2°
NBECAWH18108.5°109.5°
NBECAWH19108.5°109.4°
FACCAYCAL122.6°120.1°
CAYCALCBB121.2°120.0°
CAYCALH1119.4°120.0°
NBECAUCAO112.4°109.5°
CAUNBECAV110.0°111.0°
NBECAUH25108.7°109.5°
NBECAUH26108.8°109.4°
CAUCAOCAP110.3°109.5°
CAOCAUH25108.7°109.5°
CAOCAUH26108.7°109.5°
CAUCAOH27109.3°109.5°
CAUCAOH28109.2°109.5°
CAPCAOH27109.3°109.5°
CAPCAOH28109.3°109.4°
CAOCAPH29109.6°109.5°
CAOCAPH30109.6°109.4°
CATCBDCBF112.0°109.5°
CATCBDCAS106.8°109.2°
CATCBDH15107.9°109.6°
CBDCATH16109.3°109.5°
CBDCATH17109.3°109.5°
NBECAVCAS113.2°109.6°
NBECAVH22108.5°109.5°
NBECAVH23108.6°109.4°
CALCBBCBF120.7°120.0°
CBBCALH1119.4°120.0°
CBBCBFCBD112.3°109.5°
CBBCBFOAB108.4°109.5°
CBBCBFCBC111.2°109.4°
CBFCBDCAS114.6°109.5°
CBDCBFOAB107.8°109.5°
CBDCBFCBC108.5°109.5°
CBFCBDH15107.5°109.5°
CBDCASCAV110.0°109.3°
CASCBDH15107.8°109.5°
CBDCASH20109.3°109.5°
CBDCASH21109.3°109.5°
CAVCASH20109.3°109.5°
CAVCASH21109.3°109.5°
CASCAVH22108.6°109.5°
CASCAVH23108.5°109.4°
OABCBFCBC108.5°109.4°
CBFOABH14109.5°113.9°
CBFCBCCAQ119.7°110.8°
CBFCBCCAR113.7°110.8°
CBFCBCH5107.5°110.6°
CBCCAQCAM105.6°104.2°
CAQCBCCAR99.3°102.8°
CAQCBCH5107.9°110.9°
CBCCAQH6110.4°110.5°
CBCCAQH7110.4°110.5°
CAQCAMCAN104.5°106.6°
CAMCAQH6110.4°110.5°
CAMCAQH7110.4°110.5°
CAQCAMH8110.7°110.1°
CAQCAMH9110.7°110.1°
CBCCARCAN104.2°104.2°
CARCBCH5108.1°110.7°
CBCCARH12110.8°110.5°
CBCCARH13110.8°110.5°
CARCANCAM106.8°106.5°
CARCANH10110.1°110.0°
CARCANH11110.2°110.1°
CANCARH12110.8°110.5°
CANCARH13110.8°110.5°
CANCAMH8110.7°110.0°
CANCAMH9110.7°110.0°
CAMCANH10110.1°110.0°
CAMCANH11110.1°110.0°
H6CAQH7109.5°110.5°
H8CAMH9109.4°110.0°
H10CANH11109.5°110.1°
H12CARH13109.4°110.5°
H16CATH17109.5°109.5°
H18CAWH19109.5°109.4°
H20CASH21109.5°109.5°
H22CAVH23109.4°109.4°
H25CAUH26109.4°109.5°
H27CAOH28109.4°109.5°
H29CAPH30109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NAACADCAZCAG3.1°82.5°
NAACADCAZCAH176.9°97.5°
CADCAZCAGCAH180.0°179.9°
CADCAZCAGCAJ180.0°180.0°
CADCAZCAHCAK180.0°179.7°
CADCAZCAGH320.0°0.1°
CADCAZCAHH330.0°0.1°
CAZCAGCAJH32180.0°180.0°
CAGCAZCAHCAK0.0°0.2°
CAZCAGCAJCBA0.1°0.0°
CAZCAGCAJH31179.9°180.0°
CAGCAZCAHH33180.0°180.0°
CAHCAZCAGCAJ0.1°0.0°
CAZCAHCAKH33180.0°179.8°
CAZCAHCAKCBA0.1°0.5°
CAHCAZCAGH32179.9°180.0°
CAZCAHCAKH34180.0°179.9°
CAGCAJCBAH31180.0°180.0°
CAGCAJCBACAK0.1°0.3°
CAGCAJCBAOAX180.0°180.0°
CAHCAKCBACAJ0.1°0.5°
CAHCAKCBAH34180.0°179.6°
CAHCAKCBAOAX179.9°179.7°
CAFCAECAIH3180.0°180.0°
CAECAFCAYH2180.0°179.9°
CAFCAECAICBB0.0°0.2°
CAECAFCAYFAC180.0°180.0°
CAECAFCAYCAL0.0°0.1°
CAFCAECAIH4180.0°180.0°
CAICAECAFCAY0.0°0.1°
CAECAICBBH4180.0°179.8°
CAECAICBBCAL0.0°0.5°
CAECAICBBCBF180.0°179.9°
CAICAECAFH2180.0°180.0°
CAFCAYFACCAL180.0°179.9°
CAFCAYCALCBB0.0°0.2°
CAFCAYCALH1180.0°180.0°
CAYCAFCAEH3180.0°180.0°
CAJCBACAKOAX179.9°179.8°
CAJCBAOAXCAP176.2°180.0°
CBACAJCAGH32179.9°180.0°
CAJCBACAKH34179.9°179.9°
CAKCBAOAXCAP4.0°0.2°
CAKCBACAJH31179.9°179.8°
CBACAKCAHH33180.0°179.7°
CBAOAXCAPCAO168.9°180.0°
CBAOAXCAPH2971.2°60.0°
CBAOAXCAPH3049.0°60.1°
OAXCBACAJH310.0°0.0°
OAXCBACAKH340.1°0.2°
OAXCAPCAOCAU58.0°180.0°
OAXCAPCAOH29119.9°120.1°
OAXCAPCAOH30119.9°120.0°
OAXCAPCAOH2762.1°59.9°
OAXCAPCAOH28178.1°60.0°
OAXCAPH29H30120.2°120.0°
CAICBBCALCAY0.0°0.5°
CAICBBCALCBF180.0°179.4°
CAICBBCBFCBD39.6°98.5°
CAICBBCBFOAB158.6°21.6°
CAICBBCBFCBC82.2°141.5°
CAICBBCALH1180.0°179.7°
CBBCAICAEH3180.0°179.7°
CATCAWNBEH18120.5°120.1°
CATCAWNBEH19120.6°119.9°
CATCAWNBECAU175.5°174.2°
CAWCATCBDH16120.1°119.9°
CAWCATCBDH17120.1°120.0°
CATCAWNBECAV55.7°61.8°
CAWCATCBDCBF175.2°177.6°
CAWCATCBDCAS58.6°57.7°
CAWCATCBDH1557.1°62.3°
CAWCATH16H17119.7°120.2°
CATCAWH18H19118.3°119.9°
CAWNBECAUCAV119.0°124.2°
CAWNBECAUCAO175.0°170.0°
NBECAWCATCBD59.5°59.2°
CAWNBECAVCAS55.5°61.7°
NBECAWCATH1660.6°179.1°
NBECAWCATH17179.6°60.7°
NBECAWH18H19118.3°120.0°
CAWNBECAVH2265.0°178.2°
CAWNBECAVH23176.1°58.3°
CAWNBECAUH2554.6°69.9°
CAWNBECAUH2664.5°50.1°
FACCAYCALCBB180.0°179.7°
FACCAYCALH10.0°0.1°
FACCAYCAFH20.0°0.1°
CAYCALCBBH1180.0°179.8°
CAYCALCBBCBF180.0°179.9°
CALCAYCAFH2180.0°180.0°
NBECAUCAOH25120.5°120.0°
NBECAUCAOH26120.5°119.9°
NBECAUCAOCAP163.1°180.0°
CAUNBECAVCAS174.7°174.2°
CAUNBECAWH1855.0°65.8°
CAUNBECAWH1964.0°54.2°
CAUNBECAVH2254.1°54.1°
CAUNBECAVH2364.8°65.8°
NBECAUH25H26118.7°119.9°
NBECAUCAOH2742.9°60.0°
NBECAUCAOH2876.8°60.1°
CAUCAOCAPH27120.1°120.1°
CAUCAOCAPH28120.1°120.0°
CAOCAUNBECAV56.0°65.8°
CAOCAUH25H26118.6°120.0°
CAUCAOH27H28119.6°120.0°
CAUCAOCAPH2961.9°59.9°
CAUCAOCAPH30177.9°60.0°
CAPCAOCAUH2576.5°60.0°
CAPCAOCAUH2642.6°60.1°
CAPCAOH27H28119.6°119.9°
CAOCAPH29H30120.2°119.9°
CATCBDCBFCBB69.4°61.9°
CATCBDCBFCAS121.8°119.7°
CATCBDCBFH15118.3°120.2°
CATCBDCASH15115.7°120.0°
CATCBDCASCAV58.4°57.6°
CATCBDCBFOAB49.9°178.0°
CATCBDCBFCBC167.2°58.1°
CBDCATH16H17119.7°120.1°
CBDCATCAWH1861.0°60.9°
CBDCATCAWH19179.9°179.2°
CATCBDCASH2061.7°62.3°
CATCBDCASH21178.5°177.6°
NBECAVCASCBD59.2°59.2°
NBECAVCASH22120.6°120.1°
NBECAVCASH23120.6°120.0°
CAVNBECAWH1864.8°58.3°
CAVNBECAWH19176.2°178.3°
NBECAVCASH2060.9°60.7°
NBECAVCASH21179.3°179.1°
NBECAVH22H23118.3°120.0°
CAVNBECAUH2564.4°54.2°
CAVNBECAUH26176.5°174.2°
CALCBBCBFCBD140.4°81.0°
CALCBBCBFOAB21.4°159.0°
CALCBBCBFCBC97.8°39.1°
CALCBBCAIH4180.0°179.7°
CBBCBFCBDOAB119.3°120.1°
CBBCBFCBDCBC123.3°120.0°
CBBCBFCBDCAS168.8°57.8°
CBBCBFOABCBC120.9°119.9°
CBBCBFCBCCAQ57.0°63.0°
CBBCBFCBCCAR59.9°176.3°
CBFCBBCALH10.1°0.3°
CBFCBBCAIH40.0°0.3°
CBBCBFCBCH5179.5°60.5°
CBBCBFOABH14180.0°60.1°
CBBCBFCBDH1548.9°177.9°
CBFCBDCASH15119.7°120.1°
CBFCBDCASCAV177.0°177.6°
CBDCBFOABCBC117.3°120.0°
CBDCBFCBCCAQ66.9°177.0°
CBDCBFCBCCAR176.1°63.7°
CBDCBFCBCH556.5°59.5°
CBDCBFOABH1458.3°60.0°
CBFCBDCATH1664.7°62.5°
CBFCBDCATH1755.1°57.6°
CBFCBDCASH2062.9°57.7°
CBFCBDCASH2156.9°62.5°
CBDCASCAVH20120.1°119.9°
CBDCASCAVH21120.1°120.0°
CASCBDCBFOAB71.9°62.3°
CASCBDCBFCBC45.4°177.8°
CASCBDCATH1661.5°177.6°
CASCBDCATH17178.7°62.3°
CBDCASH20H21119.7°120.1°
CBDCASCAVH2261.4°179.2°
CBDCASCAVH23179.8°60.8°
CAVCASCBDH1557.3°62.4°
CAVCASH20H21119.7°120.1°
CASCAVH22H23118.3°119.9°
OABCBFCBCCAQ176.2°57.0°
OABCBFCBCCAR59.2°56.4°
OABCBFCBCH560.4°179.5°
OABCBFCBDH15168.2°57.8°
CBFCBCCAQCAR124.2°118.4°
CBFCBCCAQH5123.3°123.3°
CBFCBCCAQCAM164.1°156.3°
CBFCBCCARH5119.3°123.1°
CBFCBCCARCAN171.3°156.3°
CBFCBCCAQH644.7°37.6°
CBFCBCCAQH776.5°85.0°
CBFCBCCARH1269.5°85.0°
CBFCBCCARH1352.1°37.6°
CBCCBFOABH1459.1°180.0°
CBCCBFCBDH1574.4°62.1°
CBCCAQCAMH6119.4°118.7°
CBCCAQCAMH7119.4°118.7°
CAQCBCCARH5112.4°118.5°
CAQCBCCARCAN43.0°37.9°
CBCCAQCAMCAN21.7°23.6°
CBCCAQH6H7121.8°122.7°
CBCCAQCAMH8140.9°142.9°
CBCCAQCAMH997.5°95.7°
CAQCBCCARH12162.2°156.6°
CAQCBCCARH1376.2°80.8°
CAMCAQCBCCAR39.9°37.9°
CAQCAMCANCAR5.5°0.0°
CAQCAMCANH8119.2°119.3°
CAQCAMCANH9119.2°119.3°
CAMCAQCBCH572.6°80.5°
CAMCAQH6H7121.7°122.5°
CAQCAMH8H9122.3°121.5°
CAQCAMCANH10114.0°119.2°
CAQCAMCANH11125.1°119.3°
CBCCARCANH12119.2°118.7°
CBCCARCANH13119.2°118.7°
CBCCARCANCAM31.3°23.6°
CARCBCCAQH679.5°80.8°
CARCBCCAQH7159.3°156.6°
CBCCARCANH1088.3°142.8°
CBCCARCANH11150.8°95.7°
CBCCARH12H13122.4°122.6°
CARCANCAMH10119.6°119.2°
CARCANCAMH11119.6°119.3°
CANCARCBCH569.4°80.6°
CARCANCAMH8113.7°119.3°
CARCANCAMH9124.8°119.3°
CARCANH10H11121.3°121.5°
CANCARH12H13122.4°122.6°
CANCAMCAQH697.7°95.1°
CANCAMCAQH7141.1°142.3°
CANCAMH8H9122.3°121.3°
CAMCANH10H11121.2°121.4°
CAMCANCARH12150.4°142.3°
CAMCANCARH1387.9°95.1°
H2CAFCAEH30.0°0.0°
H3CAECAIH40.0°0.0°
H5CBCCAQH6168.0°160.9°
H5CBCCAQH746.7°38.2°
H5CBCCARH1249.8°38.1°
H5CBCCARH13171.4°160.7°
H6CAQCAMH821.5°24.1°
H6CAQCAMH9143.1°145.6°
H7CAQCAMH899.6°98.4°
H7CAQCAMH921.9°23.0°
H8CAMCANH10126.7°0.1°
H8CAMCANH115.9°121.3°
H9CAMCANH105.2°121.4°
H9CAMCANH11115.6°0.0°
H10CANCARH1230.9°98.5°
H10CANCARH13152.5°24.1°
H11CANCARH1290.0°23.0°
H11CANCARH1331.6°145.6°
H15CBDCATH16177.2°57.6°
H15CBDCATH1763.0°177.7°
H15CBDCASH20177.4°177.7°
H15CBDCASH2162.8°57.6°
H16CATCAWH18178.8°59.0°
H16CATCAWH1959.9°60.9°
H17CATCAWH1859.0°179.2°
H17CATCAWH1959.9°59.2°
H20CASCAVH22178.5°59.3°
H20CASCAVH2359.7°179.3°
H21CASCAVH2258.7°60.8°
H21CASCAVH2360.1°59.1°
H25CAUCAOH27163.4°NaN°
H25CAUCAOH2843.7°60.0°
H26CAUCAOH2777.5°60.0°
H26CAUCAOH28162.8°180.0°
H27CAOCAPH29177.9°180.0°
H27CAOCAPH3057.8°60.0°
H28CAOCAPH2958.2°60.0°
H28CAOCAPH3061.9°NaN°
H31CAJCAGH320.1°0.0°
H33CAHCAKH340.0°0.1°

222415

PDB entries from 2024-07-10

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