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31U

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.47Å1.43Å
C32N1sing1.47Å1.46Å
N1C14sing1.35Å1.28Å
C2C1sing1.54Å1.55Å
C7C1sing1.51Å1.53Å
C1H1sing1.09Å1.10Å
O22C7doub1.21Å1.23Å
C7N23sing1.35Å1.28Å
C24N23sing1.46Å1.48Å
N23HN23sing0.97Å1.00Å
C24C25sing1.51Å1.54Å
C24H24sing1.09Å1.10Å
C24H24Asing1.09Å1.10Å
C25C26doub1.38Å1.40ÅAromatic
C25C30sing1.38Å1.39ÅAromatic
C26C27sing1.38Å1.39ÅAromatic
C26H26sing1.08Å1.08Å
C27C28doub1.39Å1.39ÅAromatic
C27H27sing1.08Å1.08Å
C29C28sing1.39Å1.40ÅAromatic
C28C21sing1.48Å1.52Å
C21N46doub1.30Å1.28Å
C21N47sing1.38Å1.28Å
N46HN46sing0.97Å1.00Å
N47HN47sing0.97Å1.00Å
N47HN4Asing0.97Å1.00Å
C30C29doub1.38Å1.40ÅAromatic
C29H29sing1.08Å1.08Å
C30H30sing1.08Å1.08Å
C2C3sing1.55Å1.53Å
C2H2sing1.09Å1.10Å
C2H2Asing1.09Å1.10Å
C3C32sing1.55Å1.53Å
C3H3sing1.09Å1.10Å
C3H3Asing1.09Å1.10Å
C32H32sing1.09Å1.10Å
C32H32Asing1.09Å1.10Å
C14O32doub1.21Å1.23Å
C14C4sing1.51Å1.54Å
C4N5sing1.47Å1.49Å
C4C33sing1.53Å1.57Å
C4H4sing1.09Å1.10Å
N5HN5sing1.01Å1.00Å
N5HN5Asing1.01Å1.00Å
C33C17sing1.53Å1.57Å
C33H33sing1.09Å1.10Å
C33H33Asing1.09Å1.10Å
C12C17sing1.53Å1.56Å
C17C49sing1.53Å1.56Å
C17H17sing1.09Å1.10Å
C49H49sing1.09Å1.10Å
C49H49Asing1.09Å1.10Å
C49H49Bsing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C12H12Bsing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C1N1C32123.5°108.7°
C1N1C14119.9°125.6°
N1C1C299.2°107.3°
N1C1C7112.9°109.9°
N1C1H1113.9°109.9°
C32N1C14116.5°125.6°
N1C32C398.1°104.7°
N1C32H32113.5°110.7°
N1C32H32A115.8°110.1°
N1C14O32123.6°120.0°
N1C14C4121.8°120.0°
C2C1C7109.2°110.0°
C2C1H1117.3°109.9°
C1C2C3107.5°102.9°
C1C2H2110.1°110.8°
C1C2H2A110.6°110.7°
C7C1H1104.7°109.8°
C1C7O22114.8°120.0°
C1C7N23116.8°120.0°
O22C7N23128.4°120.0°
C7N23C24114.2°120.0°
C7N23HN23122.9°120.0°
C24N23HN23122.9°120.0°
N23C24C25109.5°109.5°
N23C24H24109.5°109.5°
N23C24H24A109.4°109.5°
C25C24H24109.4°109.4°
C25C24H24A109.4°109.5°
C24C25C26120.0°119.9°
C24C25C30121.6°119.8°
H24C24H24A109.5°109.5°
C26C25C30118.3°120.3°
C25C26C27119.4°120.1°
C25C26H26120.3°120.0°
C25C30C29122.4°120.1°
C25C30H30118.8°120.0°
C27C26H26120.3°119.9°
C26C27C28122.5°119.9°
C26C27H27118.7°120.1°
C28C27H27118.8°120.0°
C27C28C29118.3°119.7°
C27C28C21121.4°120.2°
C29C28C21120.3°120.1°
C28C29C30119.0°119.9°
C28C29H29120.5°120.1°
C28C21N46118.0°120.0°
C28C21N47118.9°120.0°
N46C21N47123.0°120.0°
C21N46HN46108.5°120.0°
C21N47HN47108.6°120.0°
C21N47HN4A125.7°120.0°
HN47N47HN4A125.7°120.0°
C30C29H29120.5°120.0°
C29C30H30118.8°120.0°
C3C2H2110.1°110.7°
C3C2H2A110.6°110.7°
C2C3C32109.9°101.5°
C2C3H3109.3°111.0°
C2C3H3A109.2°111.0°
H2C2H2A107.9°110.8°
C32C3H3109.4°111.2°
C32C3H3A109.2°110.9°
C3C32H32113.5°110.4°
C3C32H32A115.8°110.4°
H3C3H3A109.8°110.9°
H32C32H32A101.0°110.4°
O32C14C4114.6°120.0°
C14C4N5106.6°109.5°
C14C4C33110.1°109.5°
C14C4H4111.1°109.5°
N5C4C33109.9°109.5°
N5C4H4111.3°109.5°
C4N5HN5109.5°111.0°
C4N5HN5A109.5°111.0°
C33C4H4107.9°109.5°
C4C33C17118.7°109.5°
C4C33H33106.5°109.5°
C4C33H33A104.4°109.4°
HN5N5HN5A109.5°111.0°
C17C33H33106.5°109.5°
C17C33H33A104.4°109.5°
C33C17C12114.5°109.5°
C33C17C49115.0°109.4°
C33C17H17100.9°109.5°
H33C33H33A117.0°109.4°
C12C17C49107.1°109.4°
C12C17H17109.8°109.5°
C17C12H12109.5°109.4°
C17C12H12A109.5°109.5°
C17C12H12B109.5°109.5°
C49C17H17109.3°109.4°
C17C49H49109.5°109.5°
C17C49H49A109.5°109.5°
C17C49H49B109.5°109.5°
H49C49H49A109.5°109.5°
H49C49H49B109.4°109.5°
H49AC49H49B109.5°109.5°
H12C12H12A109.5°109.4°
H12C12H12B109.4°109.4°
H12AC12H12B109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C1N1C32C14177.3°179.7°
N1C1C2C7118.2°119.5°
N1C1C2H1123.0°119.4°
N1C1C7H1124.3°121.0°
N1C1C7O2238.2°0.0°
N1C1C7N23143.2°180.0°
N1C1C2C310.6°22.2°
N1C1C2H2109.4°140.6°
N1C1C2H2A131.4°96.1°
C1N1C32C34.4°24.5°
C1N1C32H32124.4°94.5°
C1N1C32H32A119.4°143.1°
C1N1C14O326.2°0.0°
C1N1C14C4174.8°180.0°
C32N1C1C23.9°1.3°
C32N1C1C7119.3°120.9°
C32N1C1H1121.5°118.1°
N1C32C3C211.1°37.3°
N1C32C3H32120.0°119.2°
N1C32C3H32A123.8°118.5°
N1C32C3H3131.1°80.8°
N1C32C3H3A108.7°155.3°
N1C32H32H32A124.6°122.2°
C32N1C14O32171.3°179.7°
C32N1C14C47.8°0.3°
C14N1C1C2173.3°179.0°
C14N1C1C757.9°59.4°
C14N1C1H161.3°61.6°
C14N1C32C3178.2°155.8°
C14N1C32H3258.2°85.2°
C14N1C32H32A58.0°37.2°
N1C14O32C4179.1°179.9°
N1C14C4N5135.9°160.0°
N1C14C4C33105.0°80.0°
N1C14C4H414.5°40.0°
C2C1C7H1126.4°121.1°
C2C1C7O2271.1°117.9°
C2C1C7N23107.5°62.0°
C1C2C3H2120.0°118.4°
C1C2C3H2A120.8°118.3°
C1C2H2H2A120.8°123.3°
C1C2C3C3214.5°35.6°
C1C2C3H3134.5°82.6°
C1C2C3H3A105.3°153.6°
C1C7O22N23178.4°179.9°
C1C7N23C24177.0°180.0°
C1C7N23HN233.0°0.1°
C7C1C2C3128.8°97.4°
C7C1C2H28.8°21.0°
C7C1C2H2A110.4°144.4°
H1C1C7O22162.6°121.0°
H1C1C7N2318.9°59.0°
H1C1C2C3112.4°141.6°
H1C1C2H2127.6°100.0°
H1C1C2H2A8.4°23.3°
O22C7N23C241.4°0.1°
O22C7N23HN23178.7°180.0°
C7N23C24HN23180.0°179.9°
C7N23C24C25108.7°180.0°
C7N23C24H24131.3°60.1°
C7N23C24H24A11.2°59.9°
N23C24C25H24120.0°120.0°
N23C24C25H24A119.9°120.1°
N23C24H24H24A120.0°120.0°
N23C24C25C2692.4°90.0°
N23C24C25C3087.8°90.3°
HN23N23C24C2571.3°0.1°
HN23N23C24H2448.7°120.0°
HN23N23C24H24A168.8°120.0°
C25C24H24H24A120.0°120.0°
C24C25C26C30179.9°179.7°
C24C25C26C27180.0°179.9°
C24C25C26H260.0°0.0°
C24C25C30C29180.0°179.7°
C24C25C30H300.0°0.0°
H24C24C25C2627.7°30.0°
H24C24C25C30152.2°149.7°
H24AC24C25C26147.7°150.0°
H24AC24C25C3032.2°29.8°
C25C26C27H26180.0°179.9°
C25C26C27C280.1°0.1°
C25C26C27H27179.8°180.0°
C26C25C30C290.2°0.6°
C26C25C30H30179.9°179.7°
C30C25C26C270.1°0.3°
C30C25C26H26179.9°179.7°
C25C30C29C280.2°0.6°
C25C30C29H30180.0°179.7°
C25C30C29H29179.8°179.7°
C26C27C28H27180.0°180.0°
C26C27C28C290.2°0.1°
C26C27C28C21180.0°180.0°
H26C26C27C28179.9°180.0°
H26C26C27H270.2°0.0°
C27C28C29C21179.8°179.9°
C27C28C21N46162.9°0.0°
C27C28C21N4717.2°179.9°
C27C28C29C300.2°0.3°
C27C28C29H29179.7°180.0°
H27C27C28C29179.8°180.0°
H27C27C28C210.0°0.0°
C29C28C21N4617.3°180.0°
C29C28C21N47162.6°0.0°
C28C29C30H29180.0°179.7°
C28C29C30H30179.8°179.7°
C28C21N46N47179.9°180.0°
C28C21N46HN46180.0°180.0°
C28C21N47HN470.0°0.1°
C28C21N47HN4A180.0°179.9°
C21C28C29C30180.0°179.7°
C21C28C29H290.0°0.0°
N46C21N47HN47179.9°179.9°
N46C21N47HN4A0.1°0.1°
N47C21N46HN460.1°0.0°
C21N47HN47HN4A180.0°179.9°
H29C29C30H300.2°0.0°
C3C2H2H2A120.8°123.2°
C2C3C32H3120.0°118.1°
C2C3C32H3A119.8°118.0°
C2C3H3H3A119.8°123.9°
C2C3C32H32131.1°81.9°
C2C3C32H32A112.7°155.8°
H2C2C3C32105.5°154.0°
H2C2C3H314.5°35.8°
H2C2C3H3A134.7°88.0°
H2AC2C3C32135.3°82.7°
H2AC2C3H3104.7°159.1°
H2AC2C3H3A15.5°35.3°
C32C3H3H3A119.8°123.9°
C3C32H32H32A124.6°122.3°
H3C3C32H32108.9°160.0°
H3C3C32H32A7.3°37.7°
H3AC3C32H3211.3°36.2°
H3AC3C32H32A127.5°86.2°
O32C14C4N543.2°20.0°
O32C14C4C3375.9°100.0°
O32C14C4H4164.6°140.0°
C14C4N5C33119.2°120.0°
C14C4N5H4121.3°120.0°
C14C4C33H4121.4°120.0°
C14C4N5HN5126.0°173.8°
C14C4N5HN5A6.0°62.2°
C14C4C33C1762.3°175.6°
C14C4C33H3357.8°55.6°
C14C4C33H33A177.9°64.4°
N5C4C33H4121.6°120.0°
C4N5HN5HN5A120.0°124.0°
N5C4C33C17179.3°64.4°
N5C4C33H3359.3°175.6°
N5C4C33H33A65.0°55.6°
C33C4N5HN56.8°66.2°
C33C4N5HN5A113.2°57.8°
C4C33C17H33120.0°120.0°
C4C33C17H33A115.6°120.0°
C4C33H33H33A116.2°119.9°
C4C33C17C1273.4°174.3°
C4C33C17C49161.9°65.7°
C4C33C17H1744.4°54.3°
H4C4N5HN5112.7°53.8°
H4C4N5HN5A127.3°177.8°
H4C4C33C1759.1°55.6°
H4C4C33H33179.1°64.4°
H4C4C33H33A56.5°175.6°
C17C33H33H33A116.2°120.0°
C33C17C12C49128.8°120.0°
C33C17C12H17112.6°120.1°
C33C17C49H17112.6°120.0°
C33C17C49H4958.4°60.0°
C33C17C49H49A178.4°180.0°
C33C17C49H49B61.6°60.0°
C33C17C12H1274.8°55.1°
C33C17C12H12A165.2°175.1°
C33C17C12H12B45.2°64.8°
H33C33C17C12166.6°65.6°
H33C33C17C4941.8°54.3°
H33C33C17H1775.6°174.3°
H33AC33C17C1242.2°54.4°
H33AC33C17C4982.5°174.3°
H33AC33C17H17160.1°65.7°
C12C17C49H17118.9°120.0°
C12C17C49H4970.2°60.0°
C12C17C49H49A49.8°60.0°
C12C17C49H49B169.9°180.0°
C17C12H12H12A120.0°120.0°
C17C12H12H12B120.0°120.0°
C17C12H12AH12B120.0°120.1°
C17C49H49H49A120.0°120.0°
C17C49H49H49B120.0°120.0°
C17C49H49AH49B120.0°120.0°
C49C17C12H12156.4°175.1°
C49C17C12H12A36.4°65.0°
C49C17C12H12B83.6°55.2°
H17C17C49H49170.9°179.9°
H17C17C49H49A69.1°60.0°
H17C17C49H49B51.0°60.0°
H17C17C12H1237.9°65.0°
H17C17C12H12A82.2°55.0°
H17C17C12H12B157.9°175.1°
H49C49H49AH49B120.0°120.0°
H12C12H12AH12B120.0°119.9°

223532

PDB entries from 2024-08-07

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