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EJ4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
CAKCALdoub1.38Å1.39ÅAromatic
CAKCAJsing1.39Å1.39ÅAromatic
CALCAMsing1.39Å1.33ÅAromatic
CAJCAIdoub1.37Å1.39ÅAromatic
CAMNANsing1.36Å1.33ÅAromatic
CAMCAHdoub1.42Å1.33ÅAromatic
NANCAFsing1.37Å1.34ÅAromatic
CAICAHsing1.40Å1.34ÅAromatic
CAHCAGsing1.45Å1.33ÅAromatic
CAFCAGdoub1.35Å1.36ÅAromatic
CAFCAEsing1.51Å1.42Å
CAGCAOsing1.51Å1.38Å
CAEOADsing1.45Å1.49Å
CAECAVsing1.53Å1.48Å
OADCACsing1.35Å1.39Å
CAOCAPsing1.54Å1.55Å
OAQCAPsing1.43Å1.44Å
CAPCAVsing1.52Å1.38Å
CAPCARsing1.54Å1.53Å
CAVCAWsing1.51Å1.37Å
CAVCAUsing1.53Å1.54Å
CACCAWdoub1.39Å1.31ÅAromatic
CACCABsing1.40Å1.34ÅAromatic
OAACABsing1.36Å1.36Å
CAWCAXsing1.38Å1.34ÅAromatic
CAUCATsing1.53Å1.48Å
CABCAZdoub1.39Å1.40ÅAromatic
CARCBAsing1.52Å1.61Å
CARNASsing1.47Å1.49Å
CAXCBAsing1.49Å1.45Å
CAXCAYdoub1.38Å1.39ÅAromatic
CAZCAYsing1.39Å1.40ÅAromatic
NASCATsing1.47Å1.48Å
NASCBBsing1.47Å1.48Å
CBBCBCsing1.53Å1.56Å
CBDCBCsing1.53Å1.54Å
CBDCBEsing1.53Å1.52Å
CBCCBEsing1.53Å1.53Å
CAEH1sing1.09Å1.10Å
CAIH2sing1.08Å1.08Å
CAJH3sing1.08Å1.08Å
CAKH4sing1.08Å1.08Å
CALH5sing1.08Å1.08Å
CAOH6sing1.09Å1.10Å
CAOH7sing1.09Å1.10Å
CARH8sing1.09Å1.10Å
CATH9sing1.09Å1.10Å
CATH10sing1.09Å1.10Å
CAUH11sing1.09Å1.10Å
CAUH12sing1.09Å1.10Å
CAYH13sing1.08Å1.08Å
CAZH14sing1.08Å1.08Å
NANH15sing0.97Å1.00Å
OAAH17sing0.97Å0.95Å
OAQH18sing0.97Å0.95Å
CBAH19sing1.09Å1.10Å
CBAH20sing1.09Å1.10Å
CBBH21sing1.09Å1.10Å
CBBH22sing1.09Å1.10Å
CBCH23sing1.09Å1.10Å
CBDH24sing1.09Å1.10Å
CBDH25sing1.09Å1.10Å
CBEH26sing1.09Å1.10Å
CBEH27sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CALCAKCAJ119.0°122.2°
CAKCALCAM120.5°116.9°
CALCAKH4120.5°118.9°
CAKCALH5119.7°121.5°
CAKCAJCAI117.7°122.1°
CAKCAJH3121.1°118.9°
CAJCAKH4120.5°118.9°
CALCAMNAN131.8°132.2°
CALCAMCAH120.6°120.5°
CAMCALH5119.7°121.5°
CAJCAICAH121.0°116.9°
CAJCAIH2119.5°121.6°
CAICAJH3121.2°119.0°
NANCAMCAH107.6°107.3°
CAMNANCAF109.6°109.9°
CAMNANH15125.2°125.0°
CAMCAHCAI121.2°121.3°
CAMCAHCAG107.5°105.9°
NANCAFCAG105.2°109.6°
NANCAFCAE128.6°126.2°
CAFNANH15125.2°125.1°
CAICAHCAG131.2°132.8°
CAHCAIH2119.5°121.5°
CAHCAGCAF108.9°107.3°
CAHCAGCAO131.3°128.5°
CAGCAFCAE124.3°124.2°
CAFCAGCAO117.6°124.2°
CAFCAEOAD106.2°108.1°
CAFCAECAV105.0°110.9°
CAFCAEH1117.8°111.9°
CAGCAOCAP113.1°108.7°
CAGCAOH6108.6°109.6°
CAGCAOH7108.6°109.6°
OADCAECAV91.4°102.6°
CAEOADCAC110.2°109.4°
OADCAEH1116.3°111.5°
CAECAVCAP112.8°117.8°
CAECAVCAW113.0°101.2°
CAECAVCAU98.0°111.1°
CAVCAEH1116.5°111.4°
OADCACCAW110.8°110.3°
OADCACCAB132.6°131.7°
CAOCAPOAQ111.1°110.2°
CAOCAPCAV99.7°110.1°
CAOCAPCAR109.6°108.0°
CAPCAOH6108.5°109.6°
CAPCAOH7108.5°109.6°
OAQCAPCAV112.2°110.2°
OAQCAPCAR110.4°111.0°
CAPOAQH18109.5°114.0°
CAVCAPCAR113.4°107.2°
CAPCAVCAW114.9°105.1°
CAPCAVCAU112.3°110.7°
CAPCARCBA97.8°113.9°
CAPCARNAS104.3°109.6°
CAPCARH8113.3°107.9°
CAWCAVCAU104.2°110.2°
CAVCAWCAC101.5°107.9°
CAVCAWCAX123.7°126.3°
CAVCAUCAT106.1°109.1°
CAVCAUH11110.3°109.5°
CAVCAUH12110.3°109.6°
CAWCACCAB113.1°117.9°
CACCAWCAX129.5°125.7°
CACCABOAA116.9°121.5°
CACCABCAZ121.0°116.9°
OAACABCAZ122.0°121.5°
CABOAAH17109.5°114.1°
CAWCAXCBA113.7°119.4°
CAWCAXCAY116.5°115.8°
CAUCATNAS108.3°109.4°
CAUCATH9109.8°109.5°
CAUCATH10109.8°109.5°
CATCAUH11110.3°109.5°
CATCAUH12110.3°109.5°
CABCAZCAY121.6°123.3°
CABCAZH14119.2°118.4°
CBACARNAS114.0°110.3°
CARCBACAX119.7°113.6°
CBACARH8112.2°107.9°
CARCBAH19106.9°108.7°
CARCBAH20106.8°108.7°
CARNASCAT112.8°111.5°
CARNASCBB109.6°111.0°
NASCARH8113.9°107.0°
CBACAXCAY128.9°124.9°
CAXCBAH19106.8°108.6°
CAXCBAH20106.9°108.6°
CAXCAYCAZ115.2°120.2°
CAXCAYH13122.4°119.9°
CAZCAYH13122.4°119.8°
CAYCAZH14119.2°118.3°
CATNASCBB97.9°111.0°
NASCATH9109.7°109.5°
NASCATH10109.8°109.5°
NASCBBCBC118.7°109.5°
NASCBBH21107.1°109.5°
NASCBBH22107.1°109.5°
CBBCBCCBD124.6°117.5°
CBBCBCCBE115.7°117.5°
CBCCBBH21107.1°109.5°
CBCCBBH22107.1°109.5°
CBBCBCH23114.7°115.5°
CBCCBDCBE59.9°60.0°
CBDCBCCBE59.6°60.0°
CBDCBCH23115.2°117.6°
CBCCBDH24120.0°117.5°
CBCCBDH25120.0°117.5°
CBDCBECBC60.5°60.0°
CBECBDH24120.0°117.5°
CBECBDH25120.0°117.5°
CBDCBEH26119.9°117.5°
CBDCBEH27119.9°117.5°
CBECBCH23115.3°117.5°
CBCCBEH26119.9°117.5°
CBCCBEH27119.9°117.5°
H6CAOH7109.5°109.7°
H9CATH10109.5°109.5°
H11CAUH12109.5°109.6°
H19CBAH20109.5°108.5°
H21CBBH22109.5°109.5°
H24CBDH25109.5°115.5°
H26CBEH27109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
CALCAKCAJH4180.0°179.9°
CAKCALCAMH5180.0°179.9°
CALCAKCAJCAI0.0°0.0°
CAKCALCAMNAN179.9°179.9°
CAKCALCAMCAH0.1°0.1°
CALCAKCAJH3180.0°180.0°
CAJCAKCALCAM0.1°0.1°
CAKCAJCAIH3180.0°180.0°
CAKCAJCAICAH0.0°0.0°
CAKCAJCAIH2180.0°180.0°
CAJCAKCALH5179.9°179.9°
CALCAMNANCAH180.0°180.0°
CALCAMNANCAF176.7°179.8°
CALCAMCAHCAI0.0°0.1°
CALCAMCAHCAG176.4°179.9°
CAMCALCAKH4179.9°180.0°
CALCAMNANH153.3°0.2°
CAJCAICAHCAM0.0°0.0°
CAJCAICAHH2180.0°180.0°
CAJCAICAHCAG175.4°179.9°
CAICAJCAKH4180.0°180.0°
CAMNANCAFH15180.0°180.0°
NANCAMCAHCAI180.0°179.9°
NANCAMCAHCAG3.6°0.1°
CAMNANCAFCAG8.8°0.2°
CAMNANCAFCAE173.1°179.7°
NANCAMCALH50.1°0.1°
CAHCAMNANCAF3.3°0.2°
CAMCAHCAICAG175.5°179.9°
CAMCAHCAGCAF9.2°0.0°
CAMCAHCAGCAO171.4°179.8°
CAMCAHCAIH2180.0°179.9°
CAHCAMCALH5179.9°180.0°
CAHCAMNANH15176.7°179.8°
NANCAFCAGCAH11.0°0.2°
NANCAFCAGCAE165.2°179.9°
NANCAFCAGCAO176.0°180.0°
NANCAFCAEOAD74.9°69.9°
NANCAFCAECAV170.9°178.3°
NANCAFCAEH157.5°53.2°
CAICAHCAGCAF174.9°179.9°
CAICAHCAGCAO12.7°0.1°
CAHCAICAJH3180.0°180.0°
CAHCAGCAFCAO165.0°179.8°
CAHCAGCAFCAE176.2°179.8°
CAHCAGCAOCAP165.6°152.7°
CAGCAHCAIH24.6°0.1°
CAHCAGCAOH645.0°32.9°
CAHCAGCAOH773.9°87.5°
CAGCAFCAEOAD123.5°110.0°
CAGCAFCAECAV27.5°1.8°
CAFCAGCAOCAP33.5°27.5°
CAGCAFCAEH1104.1°126.9°
CAFCAGCAOH6154.0°147.3°
CAFCAGCAOH787.0°92.3°
CAGCAFNANH15171.3°179.8°
CAECAFCAGCAO18.9°0.1°
CAFCAEOADCAV106.0°117.2°
CAFCAEOADH1133.2°123.4°
CAFCAECAVH1132.3°125.4°
CAFCAEOADCAC86.7°89.5°
CAFCAECAVCAP59.9°26.2°
CAFCAECAVCAW72.6°87.6°
CAFCAECAVCAU178.2°155.4°
CAECAFNANH157.0°0.3°
CAGCAOCAPH6120.5°119.8°
CAGCAOCAPH7120.5°119.8°
CAGCAOCAPOAQ59.6°70.4°
CAGCAOCAPCAV58.8°51.4°
CAGCAOCAPCAR178.1°168.2°
CAGCAOH6H7118.3°120.4°
OADCAECAVH1120.5°119.4°
OADCAECAVCAP167.1°141.5°
OADCAECAVCAW34.5°27.6°
OADCAECAVCAU74.6°89.4°
CAEOADCACCAW0.2°15.7°
CAEOADCACCAB157.0°161.9°
CAVCAEOADCAC19.4°27.7°
CAECAVCAPCAO74.1°54.5°
CAECAVCAPOAQ43.6°67.3°
CAECAVCAPCAW131.6°111.7°
CAECAVCAPCAU109.6°129.3°
CAECAVCAPCAR169.5°171.8°
CAECAVCAWCAU105.2°117.6°
CAECAVCAWCAC37.5°20.0°
CAECAVCAWCAX166.2°156.5°
CAECAVCAUCAT178.4°169.1°
CAECAVCAUH1162.1°71.0°
CAECAVCAUH1259.0°49.2°
OADCACCAWCAV21.2°3.7°
OADCACCAWCAB162.0°177.9°
OADCACCABOAA14.0°4.1°
OADCACCAWCAX175.5°172.8°
OADCACCABCAZ169.6°175.6°
CACOADCAEH1140.1°147.1°
CAOCAPOAQCAV110.6°121.7°
CAOCAPOAQCAR121.8°119.6°
CAOCAPCAVCAR116.4°117.3°
CAOCAPCAVCAW57.5°57.2°
CAOCAPCAVCAU176.4°176.2°
CAOCAPCARCBA49.8°54.9°
CAOCAPCARNAS167.1°179.0°
CAPCAOH6H7118.3°120.4°
CAOCAPCARH868.5°64.8°
CAOCAPOAQH18180.0°60.0°
OAQCAPCAVCAR125.9°120.9°
OAQCAPCAVCAW175.2°179.0°
OAQCAPCAVCAU66.0°62.0°
OAQCAPCARCBA172.5°175.8°
OAQCAPCARNAS70.2°60.1°
OAQCAPCAOH660.9°49.4°
OAQCAPCAOH7179.8°169.8°
OAQCAPCARH854.2°56.1°
CAPCAVCAWCAU123.3°119.3°
CAPCAVCAWCAC169.0°143.0°
CAPCAVCAWCAX34.7°33.4°
CAPCAVCAUCAT59.7°58.1°
CAVCAPCARCBA60.6°63.8°
CAVCAPCARNAS56.7°60.3°
CAPCAVCAEH172.4°99.1°
CAVCAPCAOH6179.4°171.2°
CAVCAPCAOH761.7°68.4°
CAVCAPCARH8178.9°176.5°
CAPCAVCAUH11179.2°61.8°
CAPCAVCAUH1259.8°178.0°
CAVCAPOAQH1869.4°178.3°
CARCAPCAVCAW58.9°60.1°
CARCAPCAVCAU59.9°58.9°
CAPCARCBANAS109.5°123.7°
CAPCARCBAH8119.2°119.7°
CAPCARNASH8124.0°116.7°
CAPCARCBACAX48.4°31.2°
CAPCARNASCAT58.6°63.0°
CAPCARNASCBB166.5°172.7°
CARCAPCAOH661.3°72.0°
CARCAPCAOH757.6°48.4°
CARCAPOAQH1858.2°59.7°
CAPCARCBAH19169.9°152.3°
CAPCARCBAH2073.0°89.8°
CAVCAWCACCAX154.3°176.5°
CAVCAWCACCAB176.8°178.4°
CAWCAVCAUCAT65.3°57.8°
CAVCAWCAXCBA20.4°2.2°
CAVCAWCAXCAY169.1°179.0°
CAWCAVCAEH1155.1°147.0°
CAWCAVCAUH1154.2°177.7°
CAWCAVCAUH12175.2°62.1°
CAUCAVCAWCAC67.8°97.6°
CAUCAVCAWCAX88.6°85.9°
CAVCAUCATH11119.5°119.8°
CAVCAUCATH12119.5°120.0°
CAVCAUCATNAS59.4°57.2°
CAUCAVCAEH145.9°30.0°
CAVCAUCATH960.4°62.8°
CAVCAUCATH10179.2°177.2°
CAVCAUH11H12121.5°120.2°
CAWCACCABOAA170.9°178.5°
CAWCACCABCAZ12.8°1.8°
CACCAWCAXCBA169.7°173.6°
CACCAWCAXCAY19.8°5.2°
CACCABOAACAZ176.3°179.7°
CABCACCAWCAX22.5°5.2°
CACCABCAZCAY3.3°1.0°
CACCABCAZH14176.7°178.9°
CACCABOAAH17180.0°89.7°
OAACABCAZCAY179.4°178.7°
OAACABCAZH140.6°1.4°
CAWCAXCBACAR31.0°0.2°
CAWCAXCBACAY169.0°178.7°
CAWCAXCAYCAZ6.6°2.0°
CAWCAXCAYH13173.4°177.9°
CAWCAXCBAH19152.5°121.3°
CAWCAXCBAH2090.4°120.9°
CAUCATNASCAR64.9°60.8°
CAUCATNASH9119.8°120.0°
CAUCATNASH10119.8°120.0°
CAUCATNASCBB180.0°174.8°
CAUCATH9H10120.6°120.0°
CATCAUH11H12121.6°120.2°
CABCAZCAYCAX0.1°0.9°
CABCAZCAYH14180.0°179.9°
CABCAZCAYH13179.9°179.2°
CAZCABOAAH173.7°90.0°
CBACARNASH8130.5°117.1°
CARCBACAXH19121.5°121.1°
CARCBACAXH20121.4°121.1°
CARCBACAXCAY160.0°178.9°
CBACARNASCAT46.9°63.2°
CBACARNASCBB61.0°61.2°
CARCBAH19H20115.4°118.0°
NASCARCBACAX61.1°92.5°
CARNASCATCBB115.2°124.4°
CARNASCBBCBC69.6°170.0°
CARNASCATH954.9°59.2°
CARNASCATH10175.3°179.2°
NASCARCBAH1960.4°28.6°
NASCARCBAH20177.5°146.5°
CARNASCBBH2151.7°50.0°
CARNASCBBH22169.1°70.0°
CBACAXCAYCAZ175.3°176.7°
CAXCBACARH8167.6°151.0°
CBACAXCAYH134.7°3.4°
CAXCBAH19H20115.4°117.9°
CAXCAYCAZH13180.0°179.9°
CAXCAYCAZH14179.9°179.1°
CAYCAXCBAH1938.5°60.0°
CAYCAXCBAH2078.6°57.8°
CATNASCBBCBC172.7°65.3°
CATNASCARH8177.4°179.7°
NASCATH9H10120.6°120.1°
NASCATCAUH11178.8°62.7°
NASCATCAUH1260.1°177.2°
CATNASCBBH2166.0°174.7°
CATNASCBBH2251.4°54.7°
NASCBBCBCH21121.3°120.0°
NASCBBCBCH22121.3°120.0°
NASCBBCBCCBD61.7°116.3°
NASCBBCBCCBE131.1°175.0°
CBBNASCARH869.5°55.9°
CBBNASCATH960.2°65.2°
CBBNASCATH1060.1°54.9°
NASCBBH21H22115.8°120.0°
NASCBBCBCH2390.7°29.4°
CBBCBCCBDCBE101.9°107.5°
CBBCBCCBDH23152.3°145.0°
CBBCBCCBEH23137.9°145.0°
CBCCBBH21H22115.9°120.0°
CBBCBCCBDH24148.6°145.0°
CBBCBCCBDH257.5°0.0°
CBBCBCCBEH26133.8°0.0°
CBBCBCCBEH276.9°145.0°
CBCCBDCBEH24109.5°107.5°
CBCCBDCBEH25109.5°107.5°
CBDCBCCBEH23105.5°107.5°
CBDCBCCBBH2159.6°3.7°
CBDCBCCBBH22177.0°123.6°
CBCCBDH24H25144.8°145.7°
CBCCBDCBEH26109.6°107.4°
CBCCBDCBEH27109.6°107.4°
CBECBDH24H25144.7°145.7°
CBDCBEH26H27144.5°145.8°
CBECBCCBBH219.8°65.0°
CBECBCCBBH22107.5°55.0°
CBCCBEH26H27144.5°145.6°
H2CAICAJH30.0°0.0°
H3CAJCAKH40.0°0.0°
H4CAKCALH50.1°0.1°
H8CARCBAH1970.9°88.0°
H8CARCBAH2046.2°29.9°
H9CATCAUH1159.0°177.3°
H9CATCAUH12179.9°57.1°
H10CATCAUH1161.3°57.3°
H10CATCAUH1259.7°62.9°
H13CAYCAZH140.1°0.9°
H21CBBCBCH23148.0°149.4°
H22CBBCBCH2330.6°90.7°
H23CBCCBDH243.6°0.0°
H23CBCCBDH25144.8°145.0°
H23CBCCBEH264.0°145.0°
H23CBCCBEH27144.8°0.0°
H24CBDCBEH260.1°145.1°
H24CBDCBEH27140.9°0.0°
H25CBDCBEH26140.9°0.1°
H25CBDCBEH270.1°145.0°

221051

PDB entries from 2024-06-12

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