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SummaryGeometryRelated PDB entries

9S1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C28C27doub1.38Å1.39ÅAromatic
C28C23sing1.38Å1.39ÅAromatic
C24N16sing1.47Å1.46Å
C24C23sing1.51Å1.50Å
N16C13sing1.35Å1.35Å
C27C26sing1.38Å1.38ÅAromatic
C29C31doub1.38Å1.38ÅAromatic
C29C25sing1.39Å1.39ÅAromatic
C23C17doub1.38Å1.38ÅAromatic
C13N15sing1.35Å1.34Å
C13O18doub1.22Å1.22Å
N15C25sing1.40Å1.40Å
C31C33sing1.38Å1.38ÅAromatic
C25C30doub1.39Å1.38ÅAromatic
C26C11doub1.39Å1.39ÅAromatic
C17C11sing1.39Å1.39ÅAromatic
C33C32doub1.38Å1.38ÅAromatic
C30C32sing1.38Å1.38ÅAromatic
C11N3sing1.40Å1.39Å
N3C2sing1.36Å1.35ÅAromatic
N3N5sing1.40Å1.40ÅAromatic
O19C2sing1.36Å1.36Å
C2C1doub1.38Å1.39ÅAromatic
N5C8doub1.30Å1.31ÅAromatic
C1C8sing1.41Å1.41ÅAromatic
C1C4sing1.48Å1.46Å
N6C4sing1.37Å1.37ÅAromatic
N6C12sing1.38Å1.37ÅAromatic
C4C7doub1.36Å1.37ÅAromatic
C12C20doub1.39Å1.39ÅAromatic
C12C9sing1.41Å1.41ÅAromatic
C20C22sing1.38Å1.38ÅAromatic
C7C9sing1.42Å1.42ÅAromatic
C9N10doub1.33Å1.34ÅAromatic
C22C14doub1.39Å1.39ÅAromatic
N10C14sing1.32Å1.32ÅAromatic
C14N21sing1.39Å1.39Å
C7H1sing1.08Å1.08Å
C8H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C22H5sing1.08Å1.08Å
C24H6sing1.09Å1.10Å
C24H7sing1.09Å1.10Å
C26H8sing1.08Å1.08Å
C28H9sing1.08Å1.08Å
N6H11sing0.97Å1.00Å
N15H12sing0.97Å1.00Å
N16H13sing0.97Å1.00Å
N21H14sing0.97Å1.00Å
N21H15sing0.97Å1.00Å
C27H16sing1.08Å1.08Å
C29H17sing1.08Å1.08Å
C30H18sing1.08Å1.08Å
C31H19sing1.08Å1.08Å
C32H20sing1.08Å1.08Å
C33H21sing1.08Å1.08Å
O19H10sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C27C28C23120.4°120.1°
C28C27C26119.8°120.1°
C27C28H9119.8°119.9°
C28C27H16120.1°120.0°
C28C23C24119.8°120.0°
C28C23C17120.4°120.1°
C23C28H9119.8°120.0°
N16C24C23114.5°109.5°
C24N16C13119.1°120.0°
N16C24H6108.2°109.4°
N16C24H7108.2°109.5°
C24N16H13120.4°120.0°
C24C23C17119.8°119.9°
C23C24H6108.2°109.5°
C23C24H7108.2°109.5°
N16C13N15118.8°120.0°
N16C13O18120.5°120.0°
C13N16H13120.5°120.0°
C27C26C11119.3°119.9°
C27C26H8120.4°120.1°
C26C27H16120.1°119.9°
C31C29C25120.2°119.9°
C29C31C33119.9°120.1°
C31C29H17119.9°120.0°
C29C31H19120.1°120.0°
C29C25N15118.6°120.1°
C29C25C30119.8°119.9°
C25C29H17119.9°120.1°
C23C17C11118.9°119.9°
C23C17H3120.5°120.1°
N15C13O18120.7°120.0°
C13N15C25122.4°120.1°
C13N15H12118.8°120.0°
N15C25C30121.6°120.0°
C25N15H12118.8°120.0°
C31C33C32120.0°120.1°
C33C31H19120.1°119.9°
C31C33H21120.0°120.0°
C25C30C32119.8°119.9°
C25C30H18120.1°120.1°
C26C11C17121.2°119.9°
C26C11N3120.4°120.1°
C11C26H8120.4°120.0°
C17C11N3118.4°120.1°
C11C17H3120.5°120.0°
C33C32C30120.3°120.1°
C33C32H20119.8°120.0°
C32C33H21120.0°119.9°
C32C30H18120.1°120.1°
C30C32H20119.9°119.9°
C11N3C2126.3°125.8°
C11N3N5125.0°125.9°
C2N3N5108.7°108.3°
N3C2O19127.1°126.5°
N3C2C1106.6°107.1°
N3N5C8109.1°109.1°
O19C2C1126.3°126.4°
C2O19H10109.5°114.0°
C2C1C8107.8°107.2°
C2C1C4123.6°126.4°
N5C8C1107.7°108.3°
N5C8H2126.1°125.9°
C8C1C4128.5°126.4°
C1C8H2126.1°125.8°
C1C4N6121.3°125.3°
C1C4C7128.4°125.3°
C4N6C12108.4°108.7°
N6C4C7110.3°109.3°
C4N6H11125.8°125.7°
N6C12C20132.0°133.4°
N6C12C9107.8°107.4°
C12N6H11125.8°125.6°
C4C7C9106.6°107.9°
C4C7H1126.7°126.1°
C20C12C9120.2°119.2°
C12C20C22118.4°118.4°
C12C20H4120.8°120.7°
C12C9C7106.9°106.6°
C12C9N10119.0°120.3°
C20C22C14119.2°119.6°
C22C20H4120.8°120.8°
C20C22H5120.4°120.2°
C7C9N10134.1°133.1°
C9C7H1126.7°125.9°
C9N10C14121.6°121.4°
C22C14N10121.5°121.1°
C22C14N21118.0°119.4°
C14C22H5120.4°120.2°
N10C14N21120.4°119.4°
C14N21H14109.5°120.0°
C14N21H15109.5°120.0°
H6C24H7109.5°109.4°
H14N21H15109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C27C28C23H9180.0°179.2°
C27C28C23C24179.0°179.5°
C28C27C26H16180.0°179.2°
C27C28C23C170.3°0.5°
C28C27C26C110.3°0.5°
C28C27C26H8179.7°179.5°
C28C23C24N16122.7°90.0°
C28C23C24C17178.7°180.0°
C23C28C27C260.1°0.8°
C28C23C17C110.1°0.0°
C28C23C17H3179.9°179.7°
C28C23C24H61.9°30.0°
C28C23C24H7116.6°150.0°
C23C28C27H16179.9°180.0°
N16C24C23H6120.7°119.9°
N16C24C23H7120.8°120.0°
C24N16C13H13180.0°180.0°
N16C24C23C1758.7°90.0°
C24N16C13N15178.6°180.0°
C24N16C13O182.2°0.1°
N16C24H6H7117.8°119.9°
C23C24N16C13125.5°180.0°
C24C23C17C11178.7°180.0°
C24C23C17H31.3°0.3°
C23C24H6H7117.7°120.1°
C24C23C28H91.0°0.2°
C23C24N16H1354.5°0.0°
N16C13N15O18179.3°179.9°
N16C13N15C25180.0°175.4°
C13N16C24H6113.8°60.0°
C13N16C24H74.8°59.9°
N16C13N15H120.0°4.6°
C27C26C11H8180.0°179.9°
C27C26C11C170.5°0.0°
C27C26C11N3179.6°179.9°
C26C27C28H9179.9°179.9°
C31C29C25H17180.0°180.0°
C31C29C25N15179.8°180.0°
C29C31C33H19180.0°180.0°
C31C29C25C300.0°0.3°
C29C31C33C320.1°0.4°
C29C31C33H21179.9°179.9°
C29C25N15C13128.9°144.6°
C29C25N15C30179.8°179.6°
C25C29C31C330.1°0.0°
C29C25C30C320.0°0.3°
C29C25N15H1251.1°35.4°
C29C25C30H18180.0°179.7°
C25C29C31H19180.0°180.0°
C23C17C11C260.3°0.3°
C23C17C11H3180.0°179.7°
C23C17C11N3179.8°179.8°
C17C23C24H6179.4°150.0°
C17C23C24H762.1°30.0°
C17C23C28H9179.7°179.8°
C13N15C25H12180.0°180.0°
C13N15C25C3051.3°35.1°
N15C13N16H131.4°0.0°
O18C13N15C250.8°4.7°
O18C13N15H12179.2°175.3°
O18C13N16H13177.9°179.9°
N15C25C30C32179.8°180.0°
N15C25C29H170.2°0.1°
N15C25C30H180.2°0.1°
C31C33C32H21180.0°179.7°
C31C33C32C300.1°0.3°
C33C31C29H17179.9°179.9°
C31C33C32H20180.0°179.7°
C25C30C32C330.0°0.0°
C25C30C32H18180.0°180.0°
C30C25N15H12128.7°145.0°
C30C25C29H17180.0°179.7°
C25C30C32H20180.0°179.9°
C26C11C17N3179.9°179.9°
C26C11N3C243.0°35.1°
C26C11N3N5137.4°144.6°
C26C11C17H3179.7°180.0°
C11C26C27H16179.7°179.8°
C17C11N3C2136.8°145.0°
C17C11N3N542.8°35.3°
C17C11C26H8179.4°179.9°
C33C32C30H20180.0°179.9°
C33C32C30H18180.0°180.0°
C32C33C31H19179.9°179.7°
C30C32C33H21180.0°179.9°
C11N3C2N5179.7°179.8°
C11N3C2O190.6°0.2°
C11N3C2C1179.6°179.7°
C11N3N5C8179.7°179.8°
N3C11C17H30.2°0.1°
N3C11C26H80.4°0.0°
N3C2O19C1178.8°180.0°
C2N3N5C80.1°0.0°
N3C2C1C81.1°0.1°
N3C2C1C4178.7°180.0°
N3C2O19H10180.0°89.9°
N5N3C2O19179.8°180.0°
N5N3C2C10.8°0.0°
N3N5C8C10.6°0.1°
N3N5C8H2179.4°180.0°
O19C2C1C8179.8°180.0°
O19C2C1C42.2°0.0°
C2C1C8N51.1°0.1°
C2C1C8C4177.4°179.9°
C2C1C4N67.7°140.3°
C2C1C4C7169.8°39.9°
C2C1C8H2178.9°180.0°
C1C2O19H101.1°90.0°
N5C8C1H2180.0°179.9°
N5C8C1C4178.5°180.0°
C8C1C4N6175.3°39.8°
C8C1C4C77.3°140.0°
C1C4N6C7177.9°179.8°
C1C4N6C12178.8°179.8°
C1C4C7C9178.7°180.0°
C1C4C7H11.3°0.1°
C4C1C8H21.5°0.0°
C1C4N6H111.2°0.2°
C4N6C12H11180.0°179.9°
C4N6C12C20179.0°180.0°
C4N6C12C90.5°0.3°
N6C4C7C91.0°0.2°
N6C4C7H1179.0°179.7°
C12N6C4C70.9°0.1°
N6C12C20C9179.4°179.6°
N6C12C20C22179.6°179.1°
N6C12C9C70.2°0.4°
N6C12C9N10179.8°179.9°
N6C12C20H40.4°0.1°
C4C7C9C120.7°0.4°
C4C7C9H1180.0°180.0°
C4C7C9N10179.8°180.0°
C7C4N6H11179.0°180.0°
C12C20C22H4180.0°179.1°
C20C12C9C7179.7°179.8°
C20C12C9N100.7°0.2°
C12C20C22C140.1°0.9°
C12C20C22H5179.9°179.0°
C20C12N6H111.0°0.1°
C9C12C20C221.0°0.5°
C12C9C7N10179.5°179.6°
C12C9N10C140.5°0.5°
C12C9C7H1179.3°179.6°
C9C12C20H4179.0°179.6°
C9C12N6H11179.5°179.7°
C20C22C14H5180.0°179.9°
C20C22C14N101.1°0.7°
C20C22C14N21179.9°180.0°
C7C9N10C14178.9°180.0°
C9N10C14C221.4°0.1°
C9N10C14N21179.8°179.2°
N10C9C7H10.2°0.0°
C22C14N10N21178.8°179.3°
C14C22C20H4179.9°180.0°
C22C14N21H14178.8°0.1°
C22C14N21H1561.1°179.9°
N10C14C22H5178.9°179.2°
N10C14N21H140.0°179.2°
N10C14N21H15120.0°0.7°
N21C14C22H50.1°0.1°
C14N21H14H15120.0°180.0°
H4C20C22H50.1°0.1°
H6C24N16H1366.2°120.0°
H7C24N16H13175.3°120.1°
H8C26C27H160.3°0.3°
H9C28C27H160.1°0.7°
H17C29C31H190.0°0.0°
H18C30C32H200.0°0.0°
H19C31C33H210.0°0.1°
H20C32C33H210.0°0.0°

249697

PDB entries from 2026-02-25

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