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SummaryGeometryRelated PDB entries

349

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O32S30doub1.42Å1.44Å
S30O31doub1.42Å1.42Å
S30N33sing1.66Å1.70Å
S30C29sing1.76Å1.77Å
N33C34sing1.47Å1.50Å
N33C37sing1.47Å1.50Å
C34C35sing1.54Å1.58Å
C35C36sing1.55Å1.55Å
C36C37sing1.55Å1.56Å
C29C28doub1.38Å1.43ÅAromatic
C29C24sing1.38Å1.41ÅAromatic
C28C27sing1.38Å1.37ÅAromatic
C27C26doub1.38Å1.41ÅAromatic
C26C25sing1.38Å1.40ÅAromatic
C25C24doub1.38Å1.40ÅAromatic
C24C23sing1.51Å1.52Å
C23N22sing1.46Å1.49Å
N22C21sing1.39Å1.40Å
C21N20doub1.33Å1.32ÅAromatic
C21C5sing1.40Å1.38ÅAromatic
N20C8sing1.32Å1.34ÅAromatic
C8N7doub1.32Å1.34ÅAromatic
C8N9sing1.38Å1.34Å
N7C6sing1.33Å1.34ÅAromatic
C6C5doub1.38Å1.39ÅAromatic
C5C2sing1.51Å1.46Å
C2F4sing1.40Å1.39Å
C2F3sing1.40Å1.41Å
C2F1sing1.40Å1.39Å
N9C10sing1.40Å1.43Å
C10C11sing1.40Å1.35Å
C10C19doub1.36Å1.42Å
C11C12doub1.38Å1.38Å
C12C13sing1.40Å1.36Å
C13N14doub1.34Å1.41Å
C13C18sing1.48Å1.39Å
N14C15sing1.34Å1.41Å
C18C19sing1.46Å1.38Å
C18C17doub1.36Å1.53Å
C17C15sing1.50Å1.54Å
C15O16doub1.21Å1.23Å
C34H34sing1.09Å1.10Å
C34H34Asing1.09Å1.10Å
C35H35sing1.09Å1.10Å
C35H35Asing1.09Å1.10Å
C36H36sing1.09Å1.10Å
C36H36Asing1.09Å1.10Å
C37H37sing1.09Å1.10Å
C37H37Asing1.09Å1.10Å
C28H28sing1.08Å1.08Å
C27H27sing1.08Å1.08Å
C26H26sing1.08Å1.08Å
C25H25sing1.08Å1.08Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
N22HN22sing0.97Å1.00Å
C6H6sing1.08Å1.08Å
N9HN9sing0.97Å1.00Å
C11H11sing1.08Å1.08Å
C12H12sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O32S30O31129.7°123.1°
O32S30N33105.7°106.4°
O32S30C29102.1°106.4°
O31S30N33106.8°106.4°
O31S30C29106.0°106.4°
N33S30C29103.9°107.2°
S30N33C34126.2°125.7°
S30N33C37125.7°125.7°
S30C29C28118.1°119.9°
S30C29C24116.8°120.0°
C34N33C37107.8°108.7°
N33C34C35106.3°107.3°
N33C34H34110.6°109.9°
N33C34H34A111.2°109.9°
N33C37C36108.9°104.7°
N33C37H37109.7°110.3°
N33C37H37A109.8°110.3°
C34C35C36104.1°103.0°
C35C34H34110.5°109.9°
C35C34H34A111.2°109.9°
C34C35H35111.3°110.7°
C34C35H35A112.4°110.7°
C35C36C37102.9°101.5°
C36C35H35111.3°110.7°
C36C35H35A112.4°110.8°
C35C36H36111.7°111.0°
C35C36H36A113.1°111.0°
C37C36H36111.7°111.2°
C37C36H36A113.1°110.9°
C36C37H37109.7°110.5°
C36C37H37A109.8°110.4°
C28C29C24125.0°120.1°
C29C28C27118.8°120.0°
C29C28H28120.6°120.0°
C29C24C25116.0°120.0°
C29C24C23121.1°120.0°
C28C27C26115.3°120.0°
C27C28H28120.6°120.0°
C28C27H27122.3°120.0°
C27C26C25127.3°120.0°
C26C27H27122.3°120.0°
C27C26H26116.3°119.9°
C26C25C24117.6°120.0°
C25C26H26116.3°120.1°
C26C25H25121.2°119.9°
C25C24C23123.0°120.0°
C24C25H25121.2°120.0°
C24C23N22103.6°109.5°
C24C23H23111.5°109.5°
C24C23H23A112.8°109.5°
C23N22C21123.4°120.0°
N22C23H23111.5°109.4°
N22C23H23A112.7°109.5°
C23N22HN22105.1°120.0°
N22C21N20119.8°120.5°
N22C21C5123.1°120.5°
C21N22HN22105.0°120.0°
N20C21C5117.2°119.0°
C21N20C8117.5°120.6°
C21C5C6124.8°118.5°
C21C5C2116.4°120.8°
N20C8N7126.8°121.7°
N20C8N9112.5°119.2°
N7C8N9120.3°119.2°
C8N7C6117.8°120.9°
C8N9C10119.0°120.0°
C8N9HN9120.5°120.0°
N7C6C5115.6°119.3°
N7C6H6122.2°120.4°
C6C5C2118.7°120.8°
C5C6H6122.2°120.3°
C5C2F4106.3°109.4°
C5C2F3113.4°109.5°
C5C2F1104.9°109.4°
F4C2F3105.0°109.5°
F4C2F1122.0°109.5°
F3C2F1105.6°109.5°
N9C10C11120.0°119.4°
N9C10C19121.2°119.4°
C10N9HN9120.5°120.0°
C11C10C19118.7°121.2°
C10C11C12116.1°122.4°
C10C11H11122.0°118.8°
C10C19C18122.6°118.8°
C10C19H19118.7°120.6°
C11C12C13128.0°120.4°
C12C11H11122.0°118.8°
C11C12H12116.0°119.8°
C12C13N14132.1°133.1°
C12C13C18115.4°118.3°
C13C12H12116.0°119.8°
N14C13C18112.4°108.6°
C13N14C15107.6°110.5°
C13C18C19119.1°118.8°
C13C18C17108.7°106.8°
N14C15C17110.5°108.3°
N14C15O16129.0°125.9°
C19C18C17132.3°134.4°
C18C19H19118.7°120.6°
C18C17C15100.8°105.9°
C18C17H17129.6°127.1°
C17C15O16120.5°125.9°
C15C17H17129.6°127.1°
H34C34H34A107.0°110.0°
H35C35H35A105.5°110.8°
H36C36H36A104.5°110.9°
H37C37H37A109.0°110.4°
H23C23H23A105.0°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O32S30O31N33128.2°122.9°
O32S30O31C29121.4°123.0°
O32S30N33C29107.1°113.6°
O32S30N33C3422.7°151.9°
O32S30N33C37150.0°27.8°
O32S30C29C28108.7°0.7°
O32S30C29C2468.4°179.6°
O31S30N33C29111.8°113.5°
O31S30N33C34163.8°19.0°
O31S30N33C378.9°160.7°
O31S30C29C28113.4°132.2°
O31S30C29C2469.4°47.5°
S30N33C34C37173.8°179.8°
S30N33C34C35160.7°178.9°
S30N33C37C36179.3°155.8°
N33S30C29C281.0°114.2°
N33S30C29C24178.2°66.1°
S30N33C34H3479.3°59.6°
S30N33C34H34A39.5°61.6°
S30N33C37H3760.7°85.3°
S30N33C37H37A59.1°37.0°
C29S30N33C3484.4°94.5°
C29S30N33C37102.9°85.8°
S30C29C28C24176.9°179.7°
S30C29C28C27178.7°180.0°
S30C29C24C25177.1°179.8°
S30C29C24C231.1°0.0°
S30C29C28H281.3°0.0°
N33C34C35H34120.0°119.4°
N33C34C35H34A121.2°119.5°
N33C34C35C3628.0°22.2°
C34N33C37C366.9°24.5°
N33C34H34H34A121.3°121.1°
N33C34C35H35147.9°140.6°
N33C34C35H35A94.0°96.2°
C34N33C37H37113.1°94.5°
C34N33C37H37A127.1°143.2°
C37N33C34C3513.1°1.3°
N33C37C36C3524.2°37.3°
N33C37C36H37120.0°118.8°
N33C37C36H37A120.2°118.7°
C37N33C34H34106.9°120.7°
C37N33C34H34A134.3°118.2°
N33C37C36H3695.8°80.8°
N33C37C36H36A146.5°155.3°
N33C37H37H37A120.2°122.2°
C34C35C36H35120.0°118.4°
C34C35C36H35A122.0°118.4°
C34C35C36C3731.0°35.7°
C35C34H34H34A121.3°121.1°
C34C35H35H35A122.2°123.2°
C34C35C36H3689.1°82.6°
C34C35C36H36A153.3°153.5°
C35C36C37H36120.0°118.2°
C35C36C37H36A122.4°117.9°
C36C35C34H3492.0°97.2°
C36C35C34H34A149.2°141.7°
C36C35H35H35A122.2°123.3°
C35C36H36H36A122.6°123.9°
C35C36C37H3795.9°81.5°
C35C36C37H37A144.4°156.1°
C37C36C35H35150.9°154.1°
C37C36C35H35A91.0°82.7°
C37C36H36H36A122.7°123.9°
C36C37H37H37A120.2°122.4°
C29C28C27H28180.0°179.9°
C29C28C27C262.5°0.0°
C28C29C24C250.2°0.5°
C28C29C24C23178.1°179.8°
C29C28C27H27177.5°180.0°
C24C29C28C271.8°0.3°
C29C24C25C260.5°0.4°
C29C24C25C23178.2°179.7°
C29C24C23N22170.8°126.6°
C24C29C28H28178.2°179.8°
C29C24C25H25179.5°179.7°
C29C24C23H2369.2°6.7°
C29C24C23H23A48.6°113.4°
C28C27C26H27180.0°180.0°
C28C27C26C252.0°0.0°
C28C27C26H26178.0°180.0°
C27C26C25H26180.0°180.0°
C27C26C25C240.4°0.2°
C26C27C28H28177.5°180.0°
C27C26C25H25179.6°179.9°
C26C25C24H25180.0°179.9°
C26C25C24C23178.7°179.8°
C25C26C27H27178.0°180.0°
C25C24C23N227.4°53.7°
C24C25C26H26179.6°179.8°
C25C24C23H23112.6°173.6°
C25C24C23H23A129.5°66.4°
C24C23N22H23120.0°120.0°
C24C23N22H23A122.2°120.1°
C24C23N22C21106.9°175.2°
C23C24C25H251.3°0.1°
C24C23H23H23A122.4°120.1°
C24C23N22HN22133.1°4.8°
C23N22C21HN22120.0°180.0°
C23N22C21N208.4°4.9°
C23N22C21C5171.4°175.4°
N22C23H23H23A122.4°119.9°
N22C21N20C5179.8°179.7°
N22C21N20C8179.8°180.0°
N22C21C5C6175.6°179.7°
N22C21C5C21.9°0.0°
C21N22C23H2313.1°55.3°
C21N22C23H23A130.9°64.7°
C21N20C8N75.5°0.1°
C21N20C8N9177.5°180.0°
N20C21C5C64.1°0.6°
N20C21C5C2178.3°179.7°
N20C21N22HN22128.4°175.1°
C5C21N20C80.0°0.3°
C21C5C6N72.9°0.5°
C21C5C6C2177.5°179.7°
C21C5C2F456.7°178.5°
C21C5C2F358.1°58.5°
C21C5C2F1172.9°61.5°
C5C21N22HN2251.4°4.7°
C21C5C6H6177.1°179.7°
N20C8N7N9171.4°180.0°
N20C8N7C66.6°0.1°
N20C8N9C107.2°176.1°
N20C8N9HN9172.8°3.9°
C8N7C6C52.2°0.2°
N7C8N9C10179.8°3.8°
C8N7C6H6177.8°180.0°
N7C8N9HN90.2°176.2°
N9C8N7C6178.1°180.0°
C8N9C10HN9180.0°180.0°
C8N9C10C1112.3°49.7°
C8N9C10C19169.2°130.6°
N7C6C5H6180.0°179.7°
N7C6C5C2179.5°179.7°
C6C5C2F4121.0°1.8°
C6C5C2F3124.1°121.8°
C6C5C2F19.4°118.2°
C5C2F4F3120.5°120.0°
C5C2F4F1119.8°119.9°
C5C2F3F1114.3°120.0°
C2C5C6H60.5°0.0°
F4C2F3F1130.1°120.0°
N9C10C11C19178.5°179.7°
N9C10C11C12177.7°180.0°
N9C10C19C18178.0°179.8°
N9C10C11H112.3°0.1°
N9C10C19H192.0°0.0°
C10C11C12H11180.0°179.9°
C10C11C12C132.3°0.0°
C11C10C19C180.5°0.6°
C11C10N9HN9167.7°130.3°
C10C11C12H12177.6°179.9°
C11C10C19H19179.5°179.7°
C19C10C11C120.8°0.3°
C10C19C18C131.4°0.5°
C10C19C18H19180.0°179.8°
C10C19C18C17179.5°179.8°
C19C10N9HN910.8°49.4°
C19C10C11H11179.2°179.8°
C11C12C13H12180.0°179.9°
C11C12C13N14178.0°180.0°
C11C12C13C183.2°0.0°
C12C13N14C18178.8°180.0°
C12C13N14C15178.1°180.0°
C12C13C18C192.5°0.2°
C12C13C18C17178.2°180.0°
C13C12C11H11177.7°179.9°
N14C13C18C19178.5°179.7°
N14C13C18C170.9°0.0°
C13N14C15C170.2°0.1°
C13N14C15O16178.2°180.0°
N14C13C12H122.0°0.1°
C18C13N14C150.7°0.1°
C13C18C19C17179.2°179.7°
C13C18C17C150.7°0.0°
C18C13C12H12176.8°179.9°
C13C18C19H19178.6°179.7°
C13C18C17H17179.3°180.0°
N14C15C17C180.3°0.1°
N14C15C17O16178.6°179.9°
N14C15C17H17179.7°180.0°
C19C18C17C15178.6°179.7°
C19C18C17H171.5°0.3°
C18C17C15H17180.0°179.9°
C18C17C15O16178.8°179.9°
C17C18C19H190.5°0.1°
O16C15C17H171.2°0.1°
H34C34C35H3527.9°21.2°
H34C34C35H35A146.0°144.4°
H34AC34C35H3590.8°100.0°
H34AC34C35H35A27.3°23.3°
H35C35C36H3630.9°35.8°
H35C35C36H36A86.7°88.1°
H35AC35C36H36149.0°159.0°
H35AC35C36H36A31.4°35.2°
H36C36C37H37144.1°160.3°
H36C36C37H37A24.4°37.9°
H36AC36C37H3726.5°36.4°
H36AC36C37H37A93.2°86.0°
H28C28C27H272.5°0.0°
H27C27C26H262.0°0.0°
H26C26C25H250.4°0.1°
H23C23N22HN22106.9°124.7°
H23AC23N22HN2210.9°115.3°
H11C11C12H122.4°0.0°

219869

PDB entries from 2024-05-15

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