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SummaryGeometryRelated PDB entries

Q6I

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N01C02sing1.37Å1.42Å
N01C03doub1.31Å1.27Å
C02C05doub1.40Å1.37ÅAromatic
C02C06sing1.40Å1.39ÅAromatic
C03N07sing1.39Å1.44Å
C03S08sing1.70Å1.75Å
C04N07sing1.35Å1.46Å
C04C09sing1.48Å1.44Å
C04O10doub1.21Å1.21Å
C05C11sing1.38Å1.40ÅAromatic
C06C12doub1.38Å1.38ÅAromatic
N07C13sing1.42Å1.47Å
S08C14sing1.84Å1.80Å
C09C15doub1.40Å1.40ÅAromatic
C09C16sing1.40Å1.42ÅAromatic
C11C17doub1.38Å1.40ÅAromatic
C12C17sing1.38Å1.37ÅAromatic
C13C18sing1.53Å1.50Å
C14C19sing1.50Å1.57Å
C15C20sing1.38Å1.40ÅAromatic
C16C21doub1.38Å1.40ÅAromatic
C18C19sing1.57Å1.55Å
C20C22doub1.38Å1.37ÅAromatic
C20BR23sing1.89Å1.88Å
C21C22sing1.38Å1.39ÅAromatic
C05H24sing1.08Å1.08Å
C06H25sing1.08Å1.08Å
C11H26sing1.08Å1.08Å
C13H28sing1.09Å1.10Å
C13H29sing1.09Å1.10Å
C15H32sing1.08Å1.08Å
C16H33sing1.08Å1.08Å
C17H34sing1.08Å1.08Å
C18H35sing1.09Å1.10Å
C18H36sing1.09Å1.10Å
C19H38sing1.09Å1.10Å
C19H37sing1.09Å1.10Å
C21H39sing1.08Å1.08Å
C22H40sing1.08Å1.08Å
C12H27sing1.08Å1.08Å
C14H31sing1.09Å1.10Å
C14H30sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C02N01C03120.3°120.0°
N01C02C05122.1°120.1°
N01C02C06116.5°120.1°
N01C03N07115.0°119.1°
N01C03S08123.4°119.1°
C05C02C06121.4°119.8°
C02C05C11117.1°119.8°
C02C05H24121.5°120.1°
C02C06C12120.6°119.8°
C02C06H25119.7°120.1°
N07C03S08121.6°121.8°
C03N07C04125.4°122.6°
C03N07C13117.1°114.9°
C03S08C14102.6°99.2°
N07C04C09125.4°120.0°
N07C04O10114.3°120.0°
C04N07C13117.2°122.6°
C09C04O10120.2°120.0°
C04C09C15120.0°120.1°
C04C09C16119.5°120.2°
C05C11C17121.5°120.2°
C11C05H24121.4°120.1°
C05C11H26119.2°120.0°
C06C12C17119.4°120.2°
C12C06H25119.7°120.1°
C06C12H27120.3°119.9°
N07C13C18108.2°114.3°
N07C13H28109.8°108.5°
N07C13H29109.8°108.5°
S08C14C19114.7°108.6°
S08C14H31108.1°109.6°
S08C14H30108.1°109.7°
C15C09C16120.5°119.7°
C09C15C20118.3°119.8°
C09C15H32120.8°120.1°
C09C16C21119.7°119.9°
C09C16H33120.2°120.1°
C11C17C12119.9°120.3°
C17C11H26119.2°119.9°
C11C17H34120.1°119.9°
C12C17H34120.0°119.9°
C17C12H27120.3°119.9°
C13C18C19112.1°113.6°
C18C13H28109.8°108.5°
C18C13H29109.8°108.5°
C13C18H35108.8°108.6°
C13C18H36108.8°108.7°
C14C19C18115.6°116.4°
C14C19H38107.9°108.1°
C14C19H37107.9°108.0°
C19C14H31108.1°109.6°
C19C14H30108.1°109.6°
C15C20C22121.3°120.2°
C15C20BR23119.4°119.9°
C20C15H32120.9°120.1°
C16C21C22118.7°120.2°
C21C16H33120.2°120.1°
C16C21H39120.7°119.9°
C19C18H35108.8°108.6°
C19C18H36108.8°108.7°
C18C19H38107.9°108.1°
C18C19H37107.9°108.1°
C22C20BR23119.4°119.9°
C20C22C21121.4°120.3°
C20C22H40119.3°119.9°
C22C21H39120.6°119.9°
C21C22H40119.3°119.9°
H28C13H29109.5°108.4°
H35C18H36109.5°108.5°
H38C19H37109.5°108.0°
H31C14H30109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N01C02C05C06176.1°179.7°
C02N01C03N07175.2°179.9°
C02N01C03S083.3°0.0°
N01C02C05C11177.9°179.7°
N01C02C06C12177.7°179.7°
N01C02C05H242.1°0.3°
N01C02C06H252.3°0.3°
C03N01C02C0567.4°135.0°
C03N01C02C06116.3°45.3°
N01C03N07S08178.5°179.9°
N01C03N07C0443.1°83.2°
N01C03N07C13131.0°96.8°
N01C03S08C14152.9°123.3°
C02C05C11H24180.0°180.0°
C05C02C06C121.4°0.0°
C02C05C11C171.0°0.1°
C05C02C06H25178.6°180.0°
C02C05C11H26178.9°180.0°
C06C02C05C111.8°0.0°
C02C06C12H25180.0°180.0°
C02C06C12C170.1°0.1°
C06C02C05H24178.2°180.0°
C02C06C12H27179.9°179.9°
C03N07C04C13174.0°180.0°
C03N07C04C0912.7°5.2°
C03N07C04O10163.2°174.8°
N07C03S08C1425.5°56.6°
C03N07C13C18101.0°93.3°
C03N07C13H28139.1°27.9°
C03N07C13H2918.7°145.5°
S08C03N07C04135.5°96.9°
S08C03N07C1350.5°83.1°
C03S08C14C1974.6°70.1°
C03S08C14H31164.7°170.2°
C03S08C14H3046.2°49.7°
N07C04C09O10175.6°180.0°
N07C04C09C1539.0°137.4°
N07C04C09C16143.3°42.7°
C04N07C13C1884.4°86.7°
C04N07C13H2835.4°152.1°
C04N07C13H29155.8°34.5°
C09C04N07C13173.3°174.8°
C04C09C15C16177.6°179.9°
C04C09C15C20178.0°180.0°
C04C09C16C21179.0°179.5°
C04C09C15H322.0°0.2°
C04C09C16H331.0°0.4°
O10C04N07C1310.9°5.2°
O10C04C09C15145.3°42.6°
O10C04C09C1632.3°137.3°
C05C11C17H26180.0°180.0°
C05C11C17C120.2°0.1°
C05C11C17H34179.9°180.0°
C06C12C17C110.6°0.1°
C06C12C17H27180.0°179.8°
C06C12C17H34179.4°180.0°
N07C13C18H28119.8°121.2°
N07C13C18H29119.8°121.1°
N07C13C18C1979.5°41.5°
N07C13H28H29120.6°117.6°
N07C13C18H3540.9°79.5°
N07C13C18H36160.1°162.7°
S08C14C19H31120.7°119.7°
S08C14C19H30120.8°119.8°
S08C14C19C1877.4°94.3°
S08C14C19H3843.5°27.5°
S08C14C19H37161.7°144.0°
S08C14H31H30117.6°120.5°
C09C15C20H32180.0°179.7°
C15C09C16C211.4°0.6°
C09C15C20C221.4°0.3°
C09C15C20BR23179.8°179.8°
C15C09C16H33178.6°179.7°
C16C09C15C200.4°0.0°
C09C16C21H33180.0°179.1°
C09C16C21C223.3°0.8°
C16C09C15H32179.6°179.7°
C09C16C21H39176.7°179.2°
C11C17C12H34180.0°179.9°
C17C11C05H24179.0°179.9°
C11C17C12H27179.4°180.0°
C17C12C06H25179.9°180.0°
C12C17C11H26179.9°179.9°
C13C18C19C1463.2°43.2°
C13C18C19H35120.4°121.0°
C13C18C19H36120.4°121.1°
C18C13H28H29120.6°117.7°
C13C18H35H36118.8°118.0°
C13C18C19H3857.7°78.6°
C13C18C19H37175.9°164.9°
C14C19C18H38120.9°121.7°
C14C19C18H37120.9°121.7°
C14C19C18H3557.2°164.2°
C14C19C18H36176.4°78.0°
C14C19H38H37117.2°116.6°
C19C14H31H30117.6°120.4°
C15C20C22BR23178.8°180.0°
C15C20C22C213.5°0.0°
C15C20C22H40176.5°179.9°
C16C21C22C204.4°0.5°
C16C21C22H39180.0°180.0°
C16C21C22H40175.6°179.5°
C19C18C13H28160.7°79.7°
C19C18C13H2940.3°162.7°
C19C18H35H36118.8°118.0°
C18C19H38H37117.3°116.6°
C18C19C14H31161.9°146.0°
C18C19C14H3043.4°25.5°
C20C22C21H40180.0°180.0°
C22C20C15H32178.6°180.0°
C20C22C21H39175.6°179.5°
BR23C20C22C21177.7°180.0°
BR23C20C15H320.2°0.0°
BR23C20C22H402.3°0.0°
C22C21C16H33176.7°179.9°
H24C05C11H261.1°0.0°
H25C06C12H270.1°0.1°
H26C11C17H340.1°0.0°
H28C13C18H3578.9°159.3°
H28C13C18H3640.3°41.5°
H29C13C18H35160.7°41.6°
H29C13C18H3680.1°76.2°
H33C16C21H393.3°0.1°
H34C17C12H270.6°0.1°
H35C18C19H38178.1°42.5°
H35C18C19H3763.7°74.1°
H36C18C19H3862.7°160.3°
H36C18C19H3755.5°43.7°
H38C19C14H3177.2°92.2°
H38C19C14H30164.3°147.3°
H37C19C14H3140.9°24.3°
H37C19C14H3077.5°96.2°
H39C21C22H404.4°0.4°

223532

PDB entries from 2024-08-07

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