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A1I58

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
NBHCBIdoub1.29Å1.31ÅAromatic
NBHCBGsing1.31Å1.49ÅAromatic
CBISBJsing1.71Å1.75ÅAromatic
CBKCBGsing1.51Å1.54Å
CBGCBFdoub1.35Å1.38ÅAromatic
SBJCBFsing1.76Å1.77ÅAromatic
CBFCBCsing1.48Å1.47Å
CBCCBBdoub1.40Å1.42ÅAromatic
CBCCBDsing1.40Å1.42ÅAromatic
CBBCBAsing1.38Å1.42ÅAromatic
CBDCBEdoub1.38Å1.42ÅAromatic
CBACAYdoub1.38Å1.42ÅAromatic
CBECAYsing1.38Å1.40ÅAromatic
CAYCAXsing1.51Å1.56Å
CAZCAXsing1.53Å1.56Å
CAXNAWsing1.47Å1.46Å
NAWCAUsing1.35Å1.41Å
CAQCAPsing1.54Å1.53Å
CAQCARsing1.55Å1.52Å
CAUOAVdoub1.21Å1.22Å
CAUCAPsing1.51Å1.54Å
CAPNAOsing1.47Å1.44Å
CAROATsing1.43Å1.40Å
CARCASsing1.55Å1.56Å
NAOCASsing1.47Å1.50Å
NAOCsing1.35Å1.41Å
OCdoub1.21Å1.20Å
CCAsing1.51Å1.54Å
CACBsing1.53Å1.55Å
CANsing1.47Å1.50Å
CBCAAsing1.53Å1.54Å
CAACABsing1.53Å1.51Å
NCAGsing1.35Å1.44Å
NCACsing1.47Å1.52Å
OAHCAGdoub1.21Å1.23Å
CAGCAIsing1.51Å1.59Å
CACCABsing1.54Å1.54Å
FALCAIsing1.40Å1.29Å
CAICAJsing1.53Å1.51Å
CAICAKsing1.53Å1.67Å
CAJCAKsing1.53Å1.49Å
CAH1sing1.09Å1.10Å
CBH2sing1.09Å1.10Å
CBH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CAAH5sing1.09Å1.10Å
CABH6sing1.09Å1.10Å
CABH7sing1.09Å1.10Å
CACH8sing1.09Å1.10Å
CACH9sing1.09Å1.10Å
CAJH10sing1.09Å1.10Å
CAJH11sing1.09Å1.10Å
CAKH12sing1.09Å1.10Å
CAKH13sing1.09Å1.10Å
CAPH14sing1.09Å1.10Å
CAQH15sing1.09Å1.10Å
CAQH16sing1.09Å1.10Å
CARH17sing1.09Å1.10Å
CASH18sing1.09Å1.10Å
CASH19sing1.09Å1.10Å
CAXH20sing1.09Å1.10Å
CAZH21sing1.09Å1.10Å
CAZH22sing1.09Å1.10Å
CAZH23sing1.09Å1.10Å
CBAH24sing1.08Å1.08Å
CBBH25sing1.08Å1.08Å
CBDH26sing1.08Å1.08Å
CBEH27sing1.08Å1.08Å
CBIH28sing1.08Å1.08Å
CBKH29sing1.09Å1.10Å
CBKH30sing1.09Å1.10Å
CBKH31sing1.09Å1.10Å
NAWH32sing0.97Å1.00Å
OATH33sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
CBINBHCBG112.5°117.2°
NBHCBISBJ112.0°110.4°
NBHCBIH28124.0°124.8°
NBHCBGCBK124.7°122.9°
NBHCBGCBF114.5°114.2°
CBISBJCBF93.5°90.3°
SBJCBIH28124.0°124.8°
CBKCBGCBF120.9°122.9°
CBGCBKH29109.5°109.5°
CBGCBKH30109.5°109.5°
CBGCBKH31109.4°109.5°
CBGCBFSBJ107.5°107.8°
CBGCBFCBC138.2°126.1°
SBJCBFCBC114.3°126.1°
CBFCBCCBB121.7°120.1°
CBFCBCCBD123.9°120.1°
CBBCBCCBD114.4°119.7°
CBCCBBCBA122.2°119.8°
CBCCBBH25118.9°120.1°
CBCCBDCBE123.7°119.9°
CBCCBDH26118.2°120.1°
CBBCBACAY122.2°120.2°
CBBCBAH24118.9°119.9°
CBACBBH25118.9°120.1°
CBDCBECAY121.7°120.2°
CBECBDH26118.1°120.1°
CBDCBEH27119.1°120.0°
CBACAYCBE115.8°120.2°
CBACAYCAX121.4°119.9°
CAYCBAH24118.9°119.9°
CBECAYCAX122.8°119.9°
CAYCBEH27119.1°119.9°
CAYCAXCAZ110.0°109.5°
CAYCAXNAW108.9°109.4°
CAYCAXH20109.5°109.5°
CAZCAXNAW108.1°109.4°
CAZCAXH20109.5°109.5°
CAXCAZH21109.5°109.5°
CAXCAZH22109.5°109.5°
CAXCAZH23109.4°109.4°
CAXNAWCAU121.6°120.0°
NAWCAXH20110.9°109.4°
CAXNAWH32119.2°120.1°
NAWCAUOAV121.4°120.0°
NAWCAUCAP121.7°120.0°
CAUNAWH32119.2°119.9°
CAPCAQCAR104.9°102.9°
CAQCAPCAU106.6°110.0°
CAQCAPNAO106.2°107.3°
CAQCAPH14110.5°109.9°
CAPCAQH15110.6°110.7°
CAPCAQH16110.6°110.7°
CAQCAROAT108.9°111.0°
CAQCARCAS100.9°101.6°
CARCAQH15110.6°110.7°
CARCAQH16110.6°110.7°
CAQCARH17111.6°111.0°
OAVCAUCAP116.9°120.0°
CAUCAPNAO111.2°109.9°
CAUCAPH14110.3°109.8°
CAPNAOCAS110.0°108.7°
CAPNAOC124.4°125.6°
NAOCAPH14111.9°109.9°
OATCARCAS109.8°111.0°
OATCARH17113.7°110.9°
CAROATH33109.5°114.0°
CARCASNAO103.8°104.9°
CASCARH17111.1°111.1°
CARCASH18110.9°110.3°
CARCASH19110.9°110.4°
CASNAOC125.6°125.7°
NAOCASH18110.8°110.3°
NAOCASH19110.9°110.5°
NAOCO112.3°120.0°
NAOCCA132.8°119.9°
OCCA114.8°120.0°
CCACB109.5°109.6°
CCAN107.3°109.6°
CCAH1107.8°109.7°
CBCAN116.0°108.8°
CACBCAA117.5°109.3°
CBCAH1107.7°109.6°
CACBH2107.4°109.5°
CACBH3107.4°109.5°
CANCAG122.6°120.7°
CANCAC116.1°118.7°
NCAH1108.2°109.6°
CBCAACAB110.8°109.5°
CAACBH2107.4°109.5°
CAACBH3107.4°109.5°
CBCAAH4109.1°109.5°
CBCAAH5109.1°109.5°
CAACABCAC108.3°109.2°
CABCAAH4109.1°109.4°
CABCAAH5109.1°109.4°
CAACABH6109.7°109.5°
CAACABH7109.7°109.5°
CAGNCAC121.2°120.6°
NCAGOAH118.4°120.0°
NCAGCAI128.0°120.0°
NCACCAB116.2°108.5°
NCACH8107.8°109.6°
NCACH9107.7°109.5°
OAHCAGCAI113.6°120.0°
CAGCAIFAL119.1°115.5°
CAGCAICAJ120.9°117.5°
CAGCAICAK112.7°117.5°
CACCABH6109.8°109.7°
CACCABH7109.8°109.4°
CABCACH8107.8°109.8°
CABCACH9107.8°109.7°
FALCAICAJ111.8°117.5°
FALCAICAK121.5°117.5°
CAJCAICAK55.4°60.0°
CAICAJCAK67.7°60.0°
CAICAJH10118.6°117.5°
CAICAJH11118.6°117.5°
CAICAKCAJ56.8°60.0°
CAICAKH12120.5°117.5°
CAICAKH13120.5°117.5°
CAKCAJH10118.6°117.5°
CAKCAJH11118.6°117.5°
CAJCAKH12120.5°117.5°
CAJCAKH13120.5°117.5°
H2CBH3109.5°109.5°
H4CAAH5109.5°109.5°
H6CABH7109.5°109.5°
H8CACH9109.5°109.7°
H10CAJH11109.5°115.5°
H12CAKH13109.5°115.6°
H15CAQH16109.5°110.8°
H18CASH19109.5°110.3°
H21CAZH22109.5°109.5°
H21CAZH23109.5°109.5°
H22CAZH23109.5°109.4°
H29CBKH30109.5°109.5°
H29CBKH31109.5°109.4°
H30CBKH31109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
NBHCBISBJH28180.0°179.6°
CBINBHCBGCBK180.0°180.0°
CBINBHCBGCBF0.1°0.0°
NBHCBISBJCBF0.3°0.3°
CBGNBHCBISBJ0.2°0.3°
NBHCBGCBKCBF180.0°180.0°
NBHCBGCBFSBJ0.2°0.2°
NBHCBGCBFCBC179.2°180.0°
CBGNBHCBIH28179.8°179.9°
NBHCBGCBKH290.0°85.3°
NBHCBGCBKH30120.0°34.7°
NBHCBGCBKH31120.0°154.7°
CBISBJCBFCBG0.2°0.3°
CBISBJCBFCBC179.5°179.9°
CBKCBGCBFSBJ179.8°179.7°
CBKCBGCBFCBC0.8°0.0°
CBGCBKH29H30120.0°120.1°
CBGCBKH29H31120.0°120.0°
CBGCBKH30H31120.0°120.0°
CBGCBFSBJCBC179.3°179.8°
CBGCBFCBCCBB141.2°131.5°
CBGCBFCBCCBD37.4°48.6°
CBFCBGCBKH29180.0°94.6°
CBFCBGCBKH3060.0°145.3°
CBFCBGCBKH3160.0°25.3°
SBJCBFCBCCBB37.8°48.8°
SBJCBFCBCCBD143.6°131.2°
CBFSBJCBIH28179.7°180.0°
CBFCBCCBBCBD178.8°179.9°
CBFCBCCBBCBA179.3°180.0°
CBFCBCCBDCBE179.2°179.8°
CBFCBCCBBH250.7°0.1°
CBFCBCCBDH260.8°0.1°
CBCCBBCBAH25180.0°180.0°
CBBCBCCBDCBE0.5°0.3°
CBCCBBCBACAY0.5°0.0°
CBCCBBCBAH24179.5°180.0°
CBBCBCCBDH26179.5°180.0°
CBDCBCCBBCBA0.5°0.0°
CBCCBDCBEH26180.0°179.7°
CBCCBDCBECAY0.4°0.6°
CBDCBCCBBH25179.5°180.0°
CBCCBDCBEH27179.6°179.9°
CBBCBACAYH24180.0°180.0°
CBBCBACAYCBE0.5°0.3°
CBBCBACAYCAX179.6°179.9°
CBDCBECAYCBA0.4°0.6°
CBDCBECAYH27180.0°179.5°
CBDCBECAYCAX179.7°179.8°
CBACAYCBECAX179.9°179.7°
CBACAYCAXCAZ99.4°100.0°
CBACAYCAXNAW18.8°140.0°
CBACAYCAXH20140.2°20.1°
CAYCBACBBH25179.4°180.0°
CBACAYCBEH27179.6°179.9°
CBECAYCAXCAZ80.7°79.6°
CBECAYCAXNAW161.1°40.3°
CBECAYCAXH2039.7°160.3°
CBECAYCBAH24179.6°179.8°
CAYCBECBDH26179.6°179.8°
CAYCAXCAZNAW118.7°120.0°
CAYCAXCAZH20120.4°120.1°
CAYCAXNAWH20120.5°120.0°
CAYCAXNAWCAU88.1°155.0°
CAYCAXCAZH21180.0°180.0°
CAYCAXCAZH2260.0°59.9°
CAYCAXCAZH2360.0°60.0°
CAXCAYCBAH240.4°0.1°
CAXCAYCBEH270.3°0.3°
CAYCAXNAWH3291.8°25.0°
CAZCAXNAWH20120.0°120.0°
CAZCAXNAWCAU152.4°85.0°
CAXCAZH21H22120.0°120.1°
CAXCAZH21H23119.9°120.0°
CAXCAZH22H23120.0°119.9°
CAZCAXNAWH3227.6°95.0°
CAXNAWCAUH32180.0°180.0°
CAXNAWCAUOAV1.4°0.1°
CAXNAWCAUCAP178.9°180.0°
NAWCAXCAZH2161.3°60.0°
NAWCAXCAZH2258.7°60.0°
NAWCAXCAZH23178.7°180.0°
NAWCAUCAPCAQ90.9°62.0°
NAWCAUOAVCAP179.7°179.9°
NAWCAUCAPNAO153.8°179.9°
NAWCAUCAPH1429.1°59.0°
CAUNAWCAXH2032.4°35.0°
CAPCAQCARH15119.3°118.3°
CAPCAQCARH16119.3°118.4°
CAQCAPCAUOAV89.3°117.9°
CAQCAPCAUNAO115.3°117.9°
CAQCAPCAUH14120.0°121.1°
CAQCAPNAOH14120.6°119.4°
CAPCAQCAROAT78.8°82.6°
CAPCAQCARCAS36.7°35.5°
CAQCAPNAOCAS3.8°1.1°
CAQCAPNAOC176.2°178.9°
CAPCAQH15H16122.1°123.3°
CAPCAQCARH17154.8°153.6°
CARCAQCAPCAU144.8°141.7°
CARCAQCAPNAO26.2°22.2°
CAQCAROATCAS109.6°112.2°
CAQCAROATH17125.2°123.9°
CAQCARCASH17118.5°118.1°
CAQCARCASNAO34.0°37.0°
CARCAQCAPH1495.3°97.3°
CARCAQH15H16122.1°123.2°
CAQCARCASH1885.0°81.8°
CAQCARCASH19153.1°155.9°
CAQCAROATH33180.0°180.0°
OAVCAUCAPNAO25.9°0.0°
OAVCAUCAPH14150.6°121.1°
OAVCAUNAWH32178.6°180.0°
CAUCAPNAOH14123.8°121.0°
CAUCAPNAOCAS119.3°118.5°
CAUCAPNAOC60.6°61.5°
CAUCAPCAQH1525.5°23.4°
CAUCAPCAQH1696.0°99.9°
CAPCAUNAWH321.1°0.1°
CAPNAOCASCAR19.4°24.1°
CAPNAOCASC180.0°179.9°
CAPNAOCO0.5°0.0°
CAPNAOCCA179.2°180.0°
NAOCAPCAQH1593.1°96.1°
NAOCAPCAQH16145.4°140.5°
CAPNAOCASH1899.7°94.7°
CAPNAOCASH19138.5°143.0°
OATCARCASH17126.6°123.8°
OATCARCASNAO80.8°81.1°
OATCARCAQH15162.0°159.1°
OATCARCAQH1640.5°35.8°
OATCARCASH18160.1°160.1°
OATCARCASH1938.3°37.9°
CARCASNAOH18119.1°118.8°
CARCASNAOH19119.1°118.9°
CARCASNAOC160.7°155.8°
CASCARCAQH1582.5°82.9°
CASCARCAQH16156.0°153.8°
CARCASH18H19122.6°122.3°
CASCAROATH3370.4°67.8°
CASNAOCO179.5°179.9°
CASNAOCCA0.8°0.1°
CASNAOCAPH14116.8°120.5°
NAOCASCARH17152.5°155.1°
NAOCASH18H19122.6°122.4°
NAOCOCA178.9°180.0°
NAOCCACB86.5°121.5°
NAOCCAN146.7°119.2°
NAOCCAH130.4°1.2°
CNAOCAPH1463.2°59.5°
CNAOCASH1880.2°85.4°
CNAOCASH1941.6°36.9°
OCCACB94.9°58.5°
OCCAN31.9°60.8°
OCCAH1148.3°178.9°
CCACBN121.6°119.8°
CCACBH1117.0°120.4°
CCANH1116.1°120.4°
CCACBCAA92.3°174.4°
CCANCAG78.4°6.6°
CCANCAC98.7°173.6°
CCACBH228.8°54.4°
CCACBH3146.5°65.6°
CBCANH1121.1°119.8°
CACBCAAH2121.1°119.9°
CACBCAAH3121.2°120.0°
CACBCAACAB47.9°61.4°
CBCANCAG158.8°126.4°
CBCANCAC24.1°53.8°
CACBH2H3116.4°120.1°
CACBCAAH472.3°178.6°
CACBCAAH5168.1°58.6°
NCACBCAA29.3°54.6°
CANCAGCAC176.9°179.8°
CANCAGOAH2.0°5.9°
CANCAGCAI179.0°174.1°
CANCACCAB39.1°53.9°
NCACBH2150.5°65.3°
NCACBH391.8°174.6°
CANCACH8160.1°66.0°
CANCACH981.8°173.7°
CBCAACABH4120.2°120.0°
CBCAACABH5120.2°120.0°
CBCAACABCAC58.9°61.5°
CAACBCAH1150.7°65.2°
CAACBH2H3116.4°120.1°
CBCAAH4H5119.4°120.0°
CBCAACABH6178.8°58.6°
CBCAACABH760.9°178.7°
CAACABCACN56.7°54.9°
CAACABCACH6119.8°120.0°
CAACABCACH7119.8°119.9°
CABCAACBH2169.0°58.6°
CABCAACBH373.3°178.6°
CABCAAH4H5119.4°119.9°
CAACABH6H7120.5°120.1°
CAACABCACH8177.7°64.8°
CAACABCACH964.2°174.5°
NCAGOAHCAI179.1°180.0°
CAGNCACCAB143.8°126.3°
NCAGCAIFAL87.3°32.6°
NCAGCAICAJ126.6°178.3°
NCAGCAICAK64.4°113.1°
CAGNCAH137.7°113.8°
CAGNCACH822.8°113.8°
CAGNCACH995.3°6.6°
CACNCAGOAH178.9°173.8°
CACNCAGCAI2.1°6.2°
NCACCABH8121.0°119.7°
NCACCABH9121.0°119.7°
CACNCAH1145.2°65.9°
NCACCABH6176.5°65.2°
NCACCABH763.0°174.8°
NCACH8H9116.9°120.3°
OAHCAGCAIFAL93.7°147.4°
OAHCAGCAICAJ52.4°1.8°
OAHCAGCAICAK114.6°66.9°
CAGCAIFALCAJ149.0°145.7°
CAGCAIFALCAK149.2°145.7°
CAGCAICAJCAK97.6°107.5°
CAGCAICAJH1013.8°0.0°
CAGCAICAJH11150.8°145.0°
CAGCAICAKH12138.5°145.0°
CAGCAICAKH134.3°0.0°
CACCABCAAH461.3°178.4°
CACCABCAAH5179.1°58.5°
CACCABH6H7120.6°120.0°
CABCACH8H9116.9°120.6°
FALCAICAJCAK114.0°107.5°
FALCAICAJH10134.5°145.0°
FALCAICAJH112.5°0.0°
FALCAICAKH1212.4°0.0°
FALCAICAKH13155.3°145.0°
CAICAJCAKH10111.5°107.5°
CAICAJCAKH11111.5°107.5°
CAICAJH10H11140.6°145.7°
CAJCAICAKH12108.6°107.5°
CAJCAICAKH13108.6°107.5°
CAICAKH12H13146.5°145.7°
CAKCAJH10H11140.6°145.7°
CAJCAKH12H13146.4°145.7°
H1CACBH288.1°174.9°
H1CACBH329.6°54.9°
H2CBCAAH448.9°61.4°
H2CBCAAH570.8°178.6°
H3CBCAAH4166.6°58.6°
H3CBCAAH546.9°61.4°
H4CAACABH658.6°61.4°
H4CAACABH7178.9°58.6°
H5CAACABH661.0°178.6°
H5CAACABH759.3°61.3°
H6CABCACH862.5°175.1°
H6CABCACH955.6°54.5°
H7CABCACH857.9°55.0°
H7CABCACH9176.0°65.6°
H10CAJCAKH12139.9°145.1°
H10CAJCAKH132.9°0.0°
H11CAJCAKH122.9°0.1°
H11CAJCAKH13139.9°145.0°
H14CAPCAQH15145.4°144.4°
H14CAPCAQH1623.9°21.1°
H15CAQCARH1735.6°35.3°
H16CAQCARH1785.9°88.0°
H17CARCASH1833.5°36.3°
H17CARCASH1988.4°85.9°
H17CAROATH3354.8°56.1°
H20CAXCAZH2159.6°59.9°
H20CAXCAZH22179.6°180.0°
H20CAXCAZH2360.4°60.1°
H20CAXNAWH32147.6°145.0°
H21CAZH22H23120.0°120.0°
H24CBACBBH250.5°0.0°
H26CBDCBEH270.4°0.2°
H29CBKH30H31120.0°120.0°

252091

PDB entries from 2026-04-15

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