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4LS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O4C4doub1.22Å1.26Å
N3C4sing1.35Å1.34Å
N3C2sing1.35Å1.32Å
O2C2doub1.22Å1.27Å
C4C4Asing1.40Å1.39Å
C2N1sing1.35Å1.37Å
OALPBKdoub1.48Å1.51Å
OAHPBKsing1.61Å1.50Å
C4AN5sing1.42Å1.41Å
C4AC11doub1.37Å1.39Å
N1C11sing1.37Å1.39Å
PBKOAMsing1.61Å1.54Å
PBKOAVsing1.61Å1.59Å
N5CAQsing1.46Å1.51Å
N5C5Asing1.40Å1.36Å
C11N10sing1.38Å1.34Å
CAQCANsing1.51Å1.53Å
C5AC6doub1.38Å1.38ÅAromatic
C5AC9Asing1.40Å1.39ÅAromatic
CAROAVsing1.43Å1.44Å
CARCBFsing1.53Å1.52Å
C6C7sing1.39Å1.38ÅAromatic
N10C9Asing1.40Å1.40Å
N10CASsing1.46Å1.45Å
C9AC9doub1.38Å1.39ÅAromatic
OAJCBGsing1.43Å1.39Å
CANCAWdoub1.31Å1.44Å
CBGCASsing1.53Å1.51Å
CBGCBHsing1.53Å1.46Å
C7CADsing1.51Å1.49Å
C7C8doub1.38Å1.43ÅAromatic
CBFCBHsing1.53Å1.46Å
CBFOAIsing1.43Å1.39Å
C9C8sing1.39Å1.42ÅAromatic
OAKCBHsing1.43Å1.43Å
C8CACsing1.51Å1.43Å
CAACAWsing1.51Å1.48Å
CAWCABsing1.51Å1.49Å
CAAH2sing1.09Å1.10Å
CAAH3sing1.09Å1.10Å
CAAH4sing1.09Å1.10Å
CACH5sing1.09Å1.10Å
CACH6sing1.09Å1.10Å
CACH7sing1.09Å1.10Å
CADH8sing1.09Å1.10Å
CADH9sing1.09Å1.10Å
CADH10sing1.09Å1.10Å
OAMH11sing0.97Å0.95Å
OAHH12sing0.97Å0.95Å
CARH13sing1.09Å1.10Å
CARH14sing1.09Å1.10Å
CBFH15sing1.09Å1.10Å
OAIH16sing0.97Å0.95Å
CBHH17sing1.09Å1.10Å
OAKH18sing0.97Å0.95Å
CBGH19sing1.09Å1.10Å
OAJH20sing0.97Å0.95Å
CASH21sing1.09Å1.10Å
CASH22sing1.09Å1.10Å
C9H23sing1.08Å1.08Å
C6H24sing1.08Å1.08Å
CAQH25sing1.09Å1.10Å
CAQH26sing1.09Å1.10Å
CANH27sing1.08Å1.08Å
CABH30sing1.09Å1.10Å
CABH31sing1.09Å1.10Å
CABH32sing1.09Å1.10Å
N3H33sing0.97Å1.00Å
N1H1sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O4C4N3119.3°120.3°
O4C4C4A123.5°120.4°
C4N3C2125.5°120.6°
N3C4C4A117.1°119.3°
C4N3H33117.3°119.7°
N3C2O2122.8°119.4°
N3C2N1118.6°121.2°
C2N3H33117.2°119.7°
O2C2N1118.4°119.4°
C4C4AN5120.9°120.6°
C4C4AC11120.0°119.3°
C2N1C11119.7°120.2°
C2N1H1120.1°119.9°
OALPBKOAH114.0°109.5°
OALPBKOAM111.4°109.5°
OALPBKOAV106.5°109.5°
OAHPBKOAM111.5°109.4°
OAHPBKOAV109.8°109.5°
PBKOAHH12109.5°114.0°
N5C4AC11119.0°120.1°
C4AN5CAQ110.4°120.7°
C4AN5C5A115.7°118.6°
C4AC11N1118.9°119.3°
C4AC11N10120.6°120.2°
N1C11N10120.4°120.4°
C11N1H1120.1°119.9°
OAMPBKOAV102.8°109.5°
PBKOAMH11109.5°114.0°
PBKOAVCAR119.8°123.0°
CAQN5C5A114.1°120.7°
N5CAQCAN106.2°109.5°
N5CAQH25110.3°109.5°
N5CAQH26110.3°109.5°
N5C5AC6116.8°120.8°
N5C5AC9A121.7°119.2°
C11N10C9A118.8°119.7°
C11N10CAS120.2°120.2°
CAQCANCAW122.5°120.0°
CANCAQH25110.3°109.4°
CANCAQH26110.3°109.5°
CAQCANH27118.8°120.0°
C6C5AC9A121.4°120.0°
C5AC6C7122.3°119.8°
C5AC6H24118.9°120.1°
C5AC9AN10117.8°119.5°
C5AC9AC9118.0°119.9°
OAVCARCBF109.3°109.4°
OAVCARH13109.5°109.5°
OAVCARH14109.5°109.5°
CARCBFCBH114.6°109.4°
CARCBFOAI112.7°109.5°
CBFCARH13109.5°109.4°
CBFCARH14109.5°109.5°
CARCBFH15102.7°109.5°
C6C7CAD121.4°119.9°
C6C7C8117.5°120.2°
C7C6H24118.8°120.1°
C9AN10CAS120.8°120.2°
N10C9AC9124.2°120.7°
N10CASCBG119.1°109.5°
N10CASH21107.0°109.5°
N10CASH22107.0°109.5°
C9AC9C8121.5°119.9°
C9AC9H23119.2°120.1°
OAJCBGCAS118.2°109.4°
OAJCBGCBH112.7°109.5°
OAJCBGH19101.6°109.5°
CBGOAJH20109.5°114.0°
CANCAWCAA125.0°120.0°
CANCAWCAB116.5°120.0°
CAWCANH27118.8°120.0°
CASCBGCBH118.3°109.5°
CASCBGH19100.7°109.4°
CBGCASH21107.0°109.4°
CBGCASH22107.0°109.5°
CBGCBHCBF121.8°109.4°
CBGCBHOAK116.3°109.5°
CBGCBHH17103.0°109.5°
CBHCBGH19101.0°109.5°
CADC7C8121.1°119.9°
C7CADH8109.5°109.5°
C7CADH9109.4°109.5°
C7CADH10109.4°109.5°
C7C8C9119.2°120.2°
C7C8CAC122.7°119.9°
CBHCBFOAI117.4°109.5°
CBFCBHOAK107.0°109.5°
CBHCBFH15103.2°109.4°
CBFCBHH17102.9°109.4°
OAICBFH15103.9°109.5°
CBFOAIH16109.5°114.0°
C9C8CAC118.1°119.9°
C8C9H23119.2°120.0°
OAKCBHH17103.2°109.5°
CBHOAKH18109.5°114.0°
C8CACH5109.5°109.4°
C8CACH6109.5°109.5°
C8CACH7109.5°109.5°
CAACAWCAB118.5°120.0°
CAWCAAH2109.5°109.5°
CAWCAAH3109.4°109.5°
CAWCAAH4109.5°109.4°
CAWCABH30109.5°109.4°
CAWCABH31109.5°109.4°
CAWCABH32109.5°109.5°
H2CAAH3109.5°109.5°
H2CAAH4109.4°109.5°
H3CAAH4109.5°109.5°
H5CACH6109.4°109.5°
H5CACH7109.5°109.4°
H6CACH7109.5°109.5°
H8CADH9109.5°109.5°
H8CADH10109.5°109.4°
H9CADH10109.5°109.5°
H13CARH14109.5°109.5°
H21CASH22109.5°109.4°
H25CAQH26109.4°109.5°
H30CABH31109.5°109.5°
H30CABH32109.5°109.5°
H31CABH32109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O4C4N3C4A175.8°179.4°
O4C4N3C2175.2°180.0°
O4C4C4AN55.2°0.4°
O4C4C4AC11172.7°179.9°
O4C4N3H334.9°0.7°
C4N3C2H33180.0°179.3°
C4N3C2O2177.1°179.7°
C4N3C2N11.7°0.4°
N3C4C4AN5179.1°179.7°
N3C4C4AC113.0°0.5°
N3C2O2N1175.4°180.0°
C2N3C4C4A0.7°0.6°
N3C2N1C111.8°0.1°
N3C2N1H1178.2°179.9°
O2C2N1C11177.4°180.0°
O2C2N3H332.9°0.3°
O2C2N1H12.6°0.1°
C4C4AN5C11177.9°179.7°
C4C4AC11N12.8°0.2°
C4C4AN5CAQ73.3°13.7°
C4C4AN5C5A155.2°166.3°
C4C4AC11N10174.4°179.8°
C4AC4N3H33179.3°179.9°
C2N1C11C4A0.5°0.0°
C2N1C11H1180.0°179.9°
C2N1C11N10176.8°179.9°
N1C2N3H33178.3°179.7°
OALPBKOAHOAM127.3°120.0°
OALPBKOAHOAV119.4°120.0°
OALPBKOAMOAV113.7°120.1°
OALPBKOAVCAR61.8°55.0°
OALPBKOAMH110.0°180.0°
OALPBKOAHH120.0°60.0°
OAHPBKOAMOAV117.6°120.0°
OAHPBKOAVCAR62.1°175.0°
OAHPBKOAMH11128.6°60.0°
N5C4AC11N1179.2°179.9°
C4AN5CAQC5A132.3°179.9°
N5C4AC11N103.5°0.1°
C4AN5CAQCAN88.7°90.0°
C4AN5C5AC6159.0°166.7°
C4AN5C5AC9A22.3°13.1°
C4AN5CAQH2530.8°150.0°
C4AN5CAQH26151.8°30.0°
C4AC11N1N10177.3°180.0°
C11C4AN5CAQ108.8°166.6°
C11C4AN5C5A22.7°13.4°
C4AC11N10C9A16.9°13.8°
C4AC11N10CAS167.9°166.3°
C4AC11N1H1179.6°179.9°
N1C11N10C9A160.4°166.3°
N1C11N10CAS14.9°13.7°
OAMPBKOAVCAR179.1°65.0°
OAMPBKOAHH12127.3°60.0°
PBKOAVCARCBF172.2°180.0°
OAVPBKOAMH11113.8°59.9°
OAVPBKOAHH12119.4°180.0°
PBKOAVCARH1367.8°60.0°
PBKOAVCARH1452.2°60.0°
N5CAQCANH25119.5°120.0°
N5CAQCANH26119.5°120.0°
CAQN5C5AC671.2°13.4°
CAQN5C5AC9A107.4°166.8°
N5CAQCANCAW106.1°127.2°
N5CAQH25H26121.5°120.0°
N5CAQCANH2773.9°52.8°
C5AN5CAQCAN43.6°90.0°
N5C5AC6C9A178.7°179.8°
N5C5AC6C7176.0°179.8°
N5C5AC9AN102.7°0.2°
N5C5AC9AC9178.6°179.7°
N5C5AC6H244.0°0.2°
C5AN5CAQH25163.1°29.9°
C5AN5CAQH2675.9°150.0°
C11N10C9AC5A17.5°13.8°
C11N10C9ACAS175.2°179.9°
C11N10C9AC9161.1°166.1°
C11N10CASCBG87.4°95.3°
C11N10CASH2133.9°24.7°
C11N10CASH22151.2°144.6°
N10C11N1H13.1°0.0°
CAQCANCAWH27180.0°180.0°
CAQCANCAWCAA15.7°6.0°
CAQCANCAWCAB164.3°174.0°
CANCAQH25H26121.5°120.0°
C5AC6C7H24180.0°180.0°
C6C5AC9AN10178.7°180.0°
C6C5AC9AC90.0°0.1°
C5AC6C7CAD176.8°180.0°
C5AC6C7C82.8°0.0°
C9AC5AC6C72.7°0.0°
C5AC9AN10C9178.6°179.9°
C5AC9AN10CAS167.3°166.2°
C5AC9AC9C82.3°0.1°
C5AC9AC9H23177.8°179.9°
C9AC5AC6H24177.3°180.0°
OAVCARCBFH13120.0°119.9°
OAVCARCBFH14120.0°120.1°
OAVCARCBFCBH176.6°175.0°
OAVCARCBFOAI45.6°65.0°
OAVCARH13H14120.1°120.1°
OAVCARCBFH1565.5°55.0°
CARCBFCBHCBG45.6°NaN°
CARCBFCBHOAI135.7°120.0°
CARCBFCBHH15110.8°120.0°
CARCBFOAIH15110.4°120.0°
CARCBFCBHOAK91.7°60.0°
CBFCARH13H14120.1°120.0°
CARCBFOAIH16180.0°60.0°
CARCBFCBHH17159.9°60.0°
C6C7CADC8179.6°179.9°
C6C7C8C90.5°0.0°
C6C7C8CAC176.7°179.9°
C6C7CADH890.2°90.1°
C6C7CADH9149.8°29.9°
C6C7CADH1029.8°150.0°
C9AN10CASCBG87.7°84.7°
N10C9AC9C8179.1°180.0°
C9AN10CASH21150.9°155.3°
C9AN10CASH2233.6°35.3°
N10C9AC9H230.8°0.0°
CASN10C9AC914.1°13.9°
N10CASCBGOAJ47.4°60.5°
N10CASCBGH21121.4°120.0°
N10CASCBGH22121.4°120.0°
N10CASCBGCBH170.9°179.4°
N10CASCBGH1962.1°59.5°
N10CASH21H22115.6°120.0°
C9AC9C8C72.0°0.1°
C9AC9C8H23180.0°180.0°
C9AC9C8CAC179.4°180.0°
OAJCBGCASCBH141.7°120.1°
OAJCBGCASH19109.4°120.0°
OAJCBGCBHH19107.6°120.0°
OAJCBGCBHCBF31.5°60.0°
OAJCBGCBHOAK165.2°180.0°
OAJCBGCBHH1782.8°60.0°
OAJCBGCASH21168.7°59.5°
OAJCBGCASH2274.0°179.5°
CANCAWCAACAB180.0°180.0°
CANCAWCAAH2180.0°35.0°
CANCAWCAAH360.0°155.0°
CANCAWCAAH460.0°85.0°
CAWCANCAQH25134.4°7.3°
CAWCANCAQH2613.4°112.7°
CANCAWCABH30180.0°90.0°
CANCAWCABH3160.0°30.0°
CANCAWCABH3260.0°150.0°
CASCBGCBHH19108.6°120.0°
CASCBGCBHCBF175.3°180.0°
CASCBGCBHOAK51.1°60.0°
CASCBGCBHH1761.0°60.0°
CASCBGOAJH20180.0°56.2°
CBGCASH21H22115.7°120.0°
CBGCBHCBFOAK137.3°120.0°
CBGCBHCBFH17114.4°120.0°
CBGCBHCBFOAI178.8°60.0°
CBGCBHOAKH17111.9°120.0°
CBGCBHCBFH1565.3°60.0°
CBGCBHOAKH18180.0°60.0°
CBHCBGOAJH2036.2°63.8°
CBHCBGCASH2149.5°60.5°
CBHCBGCASH2267.8°59.4°
CADC7C8C9179.1°180.0°
CADC7C8CAC3.6°0.0°
C7CADH8H9120.0°120.0°
C7CADH8H10120.0°120.0°
C7CADH9H10120.0°120.1°
CADC7C6H243.2°0.0°
C7C8C9CAC177.4°179.9°
C7C8CACH588.5°90.0°
C7C8CACH6151.5°29.9°
C7C8CACH731.5°150.0°
C8C7CADH890.2°90.0°
C8C7CADH929.8°150.0°
C8C7CADH10149.8°30.0°
C7C8C9H23178.0°180.0°
C8C7C6H24177.2°180.0°
CBHCBFOAIH15113.1°120.0°
CBFCBHOAKH17108.2°120.0°
CBHCBFCARH1363.4°65.1°
CBHCBFCARH1456.7°54.9°
CBHCBFOAIH1643.5°60.0°
CBFCBHOAKH1840.1°60.0°
CBFCBHCBGH1976.1°60.0°
OAICBFCBHOAK44.0°180.0°
OAICBFCARH1374.4°54.9°
OAICBFCARH14165.6°175.0°
OAICBFCBHH1764.4°60.0°
C9C8CACH588.8°90.0°
C9C8CACH631.2°150.0°
C9C8CACH7151.2°29.9°
OAKCBHCBFH15157.5°60.0°
OAKCBHCBGH1957.6°60.0°
C8CACH5H6120.0°120.0°
C8CACH5H7120.0°120.0°
C8CACH6H7120.0°120.1°
CACC8C9H230.6°0.1°
CAWCAAH2H3120.0°120.0°
CAWCAAH2H4120.0°120.0°
CAWCAAH3H4120.0°119.9°
CAACAWCANH27164.3°174.0°
CAACAWCABH300.0°90.0°
CAACAWCABH31120.0°150.0°
CAACAWCABH32120.0°30.0°
CABCAWCAAH20.1°145.0°
CABCAWCAAH3119.9°25.0°
CABCAWCAAH4120.1°94.9°
CABCAWCANH2715.7°6.0°
CAWCABH30H31120.0°120.0°
CAWCABH30H32120.0°120.0°
CAWCABH31H32120.0°120.0°
H2CAAH3H4120.0°120.0°
H5CACH6H7120.0°120.0°
H8CADH9H10120.0°119.9°
H13CARCBFH15174.5°175.0°
H14CARCBFH1554.4°65.0°
H15CBFOAIH1669.6°180.0°
H15CBFCBHH1749.1°180.0°
H17CBHOAKH1868.1°180.0°
H17CBHCBGH19169.6°180.0°
H19CBGOAJH2071.1°176.1°
H19CBGCASH2159.3°179.5°
H19CBGCASH22176.6°60.6°
H25CAQCANH2745.6°172.7°
H26CAQCANH27166.6°67.3°
H30CABH31H32120.0°120.0°

222415

PDB entries from 2024-07-10

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