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SummaryGeometryRelated PDB entries

TQM

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C26C25doub1.34Å1.39ÅAromatic
C26S27sing1.76Å1.74ÅAromatic
C25C24sing1.38Å1.39ÅAromatic
C24C23doub1.37Å1.39ÅAromatic
S27C23sing1.76Å1.74ÅAromatic
C23C22sing1.43Å1.52Å
C22C21trip1.17Å1.17Å
C21C06sing1.43Å1.50Å
O07C06sing1.35Å1.34ÅAromatic
O07C08sing1.35Å1.35ÅAromatic
C06C05doub1.36Å1.42ÅAromatic
O01C02doub1.21Å1.25Å
C08C09doub1.39Å1.41ÅAromatic
C08C13sing1.41Å1.40ÅAromatic
C09C10sing1.38Å1.40ÅAromatic
C05C13sing1.46Å1.40ÅAromatic
C05C04sing1.51Å1.53Å
C13C12doub1.40Å1.39ÅAromatic
C02C04sing1.51Å1.55Å
C02O03sing1.34Å1.23Å
C10C11doub1.40Å1.38ÅAromatic
C12C11sing1.39Å1.38ÅAromatic
C11C14sing1.48Å1.35Å
C19C14doub1.39Å1.36ÅAromatic
C19C18sing1.38Å1.39ÅAromatic
C14C15sing1.39Å1.43ÅAromatic
F20C18sing1.35Å1.37Å
C18C17doub1.39Å1.41ÅAromatic
C15C16doub1.38Å1.41ÅAromatic
C17C16sing1.38Å1.37ÅAromatic
C15H1sing1.08Å1.08Å
C16H2sing1.08Å1.08Å
C17H3sing1.08Å1.08Å
C24H4sing1.08Å1.08Å
O03H5sing0.97Å0.95Å
C04H6sing1.09Å1.10Å
C04H7sing1.09Å1.10Å
C09H8sing1.08Å1.08Å
C10H9sing1.08Å1.08Å
C12H10sing1.08Å1.08Å
C19H11sing1.08Å1.08Å
C25H12sing1.08Å1.08Å
C26H13sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C25C26S27107.8°110.0°
C26C25C24115.4°115.3°
C26C25H12122.3°122.4°
C25C26H13126.1°125.0°
C26S27C2394.2°91.1°
S27C26H13126.1°125.0°
C25C24C23113.9°114.4°
C25C24H4123.1°122.8°
C24C25H12122.3°122.4°
C24C23S27108.7°109.3°
C24C23C22127.3°125.4°
C23C24H4123.1°122.8°
S27C23C22124.0°125.3°
C23C22C21179.2°180.0°
C22C21C06175.9°180.0°
C21C06O07120.1°125.1°
C21C06C05129.9°125.1°
C06O07C08109.1°110.9°
O07C06C05110.0°109.8°
O07C08C09131.6°132.9°
O07C08C13108.4°107.6°
C06C05C13104.7°106.0°
C06C05C04131.7°127.0°
O01C02C04126.0°120.0°
O01C02O03114.2°120.0°
C09C08C13120.0°119.5°
C08C09C10118.3°120.2°
C08C09H8120.8°120.0°
C08C13C05107.9°105.8°
C08C13C12121.0°120.2°
C09C10C11120.2°120.6°
C10C09H8120.8°119.8°
C09C10H9119.9°119.7°
C13C05C04123.5°127.0°
C05C13C12131.2°134.0°
C05C04C02106.9°109.5°
C05C04H6110.1°109.5°
C05C04H7110.1°109.5°
C13C12C11118.4°119.5°
C13C12H10120.8°120.2°
C04C02O03119.8°120.0°
C02C04H6110.1°109.5°
C02C04H7110.1°109.5°
C02O03H5109.5°117.0°
C10C11C12122.1°120.0°
C10C11C14120.8°120.0°
C11C10H9119.9°119.7°
C12C11C14116.9°120.0°
C11C12H10120.8°120.3°
C11C14C19114.1°120.1°
C11C14C15125.6°120.1°
C14C19C18116.6°119.8°
C19C14C15120.0°119.8°
C14C19H11121.7°120.1°
C19C18F20112.0°120.0°
C19C18C17125.0°120.1°
C18C19H11121.7°120.1°
C14C15C16122.3°120.0°
C14C15H1118.9°120.0°
F20C18C17123.0°119.9°
C18C17C16118.4°120.2°
C18C17H3120.8°119.9°
C15C16C17117.7°120.1°
C16C15H1118.9°120.0°
C15C16H2121.2°120.0°
C17C16H2121.2°119.9°
C16C17H3120.8°119.9°
H6C04H7109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C25C26S27H13180.0°179.8°
C26C25C24H12180.0°180.0°
C26C25C24C230.6°0.1°
C25C26S27C230.2°0.3°
C26C25C24H4179.4°179.9°
S27C26C25C240.2°0.2°
C26S27C23C240.5°0.3°
C26S27C23C22178.8°180.0°
S27C26C25H12179.8°179.8°
C25C24C23H4180.0°179.9°
C25C24C23S270.7°0.3°
C25C24C23C22178.6°180.0°
C24C25C26H13179.8°180.0°
C24C23S27C22179.3°179.7°
C24C23C22C21117.6°43.7°
C23C24C25H12179.4°180.0°
S27C23C22C2163.3°136.6°
S27C23C24H4179.3°179.8°
C23S27C26H13179.8°179.9°
C23C22C21C0684.2°NaN°
C22C23C24H41.4°0.1°
C22C21C06O075.5°136.2°
C22C21C06C05177.6°43.7°
C21C06O07C05177.4°180.0°
C21C06O07C08178.7°179.7°
C21C06C05C13178.0°180.0°
C21C06C05C041.0°0.0°
C06O07C08C09178.1°180.0°
C06O07C08C131.2°0.4°
O07C06C05C130.9°0.0°
O07C06C05C04176.1°180.0°
C08O07C06C051.3°0.3°
O07C08C09C13179.3°179.5°
O07C08C09C10179.5°180.0°
O07C08C13C050.6°0.4°
O07C08C13C12179.0°179.8°
O07C08C09H80.5°0.0°
C06C05C13C080.2°0.3°
C06C05C13C04177.4°180.0°
C06C05C13C12178.0°180.0°
C06C05C04C02109.4°90.0°
C06C05C04H6131.0°150.0°
C06C05C04H710.2°30.0°
O01C02C04C0550.5°0.0°
O01C02C04O03179.7°180.0°
O01C02O03H50.0°0.1°
O01C02C04H6170.1°120.0°
O01C02C04H769.1°120.1°
C08C09C10H8180.0°180.0°
C09C08C13C05178.8°180.0°
C09C08C13C120.4°0.2°
C08C09C10C111.0°0.0°
C08C09C10H9179.0°179.9°
C13C08C09C100.2°0.5°
C08C13C05C12178.2°179.7°
C08C13C05C04177.2°179.7°
C08C13C12C110.3°0.6°
C13C08C09H8179.7°179.5°
C08C13C12H10179.7°179.7°
C09C10C11H9180.0°180.0°
C09C10C11C121.2°0.8°
C09C10C11C14175.6°180.0°
C13C05C04C0267.2°90.0°
C05C13C12C11178.3°179.1°
C13C05C04H652.4°30.0°
C13C05C04H7173.2°150.0°
C05C13C12H101.7°0.0°
C04C05C13C124.6°0.0°
C05C04C02H6119.6°120.0°
C05C04C02H7119.6°120.0°
C05C04C02O03129.2°180.0°
C05C04H6H7121.2°120.0°
C13C12C11C100.5°1.1°
C13C12C11H10180.0°179.1°
C13C12C11C14175.2°179.7°
C04C02O03H5179.7°180.0°
C02C04H6H7121.2°120.0°
O03C02C04H69.6°60.0°
O03C02C04H7111.2°60.0°
C10C11C12C14174.6°179.2°
C10C11C14C1924.6°179.5°
C10C11C14C15161.9°0.1°
C11C10C09H8178.9°180.0°
C10C11C12H10179.5°179.8°
C12C11C14C19150.1°0.3°
C12C11C14C1523.4°179.3°
C12C11C10H9178.8°179.3°
C11C14C19C15173.9°179.5°
C11C14C19C18178.6°180.0°
C11C14C15C16177.1°180.0°
C11C14C15H12.9°0.3°
C14C11C10H94.4°0.1°
C14C11C12H104.8°0.6°
C11C14C19H111.4°0.0°
C14C19C18H11180.0°180.0°
C14C19C18F20178.4°179.8°
C14C19C18C172.8°0.2°
C19C14C15C163.9°0.5°
C19C14C15H1176.1°179.8°
C18C19C14C154.7°0.5°
C19C18F20C17178.9°180.0°
C19C18C17C160.2°0.0°
C19C18C17H3179.8°180.0°
C14C15C16H1180.0°179.7°
C14C15C16C170.8°0.2°
C14C15C16H2179.2°179.8°
C15C14C19H11175.3°179.5°
F20C18C17C16178.5°180.0°
F20C18C17H31.5°0.0°
F20C18C19H111.6°0.2°
C18C17C16C151.2°0.0°
C18C17C16H3180.0°180.0°
C18C17C16H2178.8°179.9°
C17C18C19H11177.2°179.7°
C15C16C17H2180.0°180.0°
C15C16C17H3178.8°180.0°
C17C16C15H1179.2°180.0°
H1C15C16H20.8°0.1°
H2C16C17H31.2°0.0°
H4C24C25H120.6°0.1°
H8C09C10H91.1°0.1°
H12C25C26H130.2°0.0°

223790

PDB entries from 2024-08-14

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