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SummaryGeometryRelated PDB entries

1QE

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C03C02doub1.34Å1.39ÅAromatic
C03C04sing1.38Å1.40ÅAromatic
C02S01sing1.71Å1.72ÅAromatic
C04C05doub1.36Å1.38ÅAromatic
S01C05sing1.76Å1.67ÅAromatic
C05C06sing1.47Å1.47Å
C06N08doub1.31Å1.35Å
C06N07sing1.38Å1.36Å
C13C12doub1.38Å1.39ÅAromatic
C13C14sing1.38Å1.39ÅAromatic
C12C11sing1.39Å1.40ÅAromatic
C14C15doub1.38Å1.38ÅAromatic
N07C11sing1.40Å1.38Å
C11C16doub1.39Å1.42ÅAromatic
C15C16sing1.38Å1.40ÅAromatic
C15C17sing1.51Å1.52Å
C17C37sing1.53Å1.54Å
C37C35sing1.51Å1.53Å
C34C35doub1.38Å1.40ÅAromatic
C34C33sing1.38Å1.39ÅAromatic
C35C36sing1.38Å1.41ÅAromatic
C33C32doub1.38Å1.40ÅAromatic
C36C31doub1.39Å1.41ÅAromatic
C32C31sing1.39Å1.41ÅAromatic
C31N27sing1.40Å1.38Å
S21C22sing1.71Å1.73ÅAromatic
S21C25sing1.76Å1.74ÅAromatic
N27C26sing1.38Å1.35Å
C22C23doub1.34Å1.39ÅAromatic
C26C25sing1.47Å1.51Å
C26N28doub1.31Å1.34Å
C25C24doub1.36Å1.41ÅAromatic
C23C24sing1.38Å1.42ÅAromatic
N08H1sing0.97Å1.00Å
C02H2sing1.08Å1.08Å
C03H3sing1.08Å1.08Å
C04H4sing1.08Å1.08Å
N07H5sing0.97Å1.00Å
C16H6sing1.08Å1.08Å
C12H7sing1.08Å1.08Å
C13H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C17H10sing1.09Å1.10Å
C17H11sing1.09Å1.10Å
C37H12sing1.09Å1.10Å
C37H13sing1.09Å1.10Å
C34H14sing1.08Å1.08Å
C33H15sing1.08Å1.08Å
C32H16sing1.08Å1.08Å
C36H17sing1.08Å1.08Å
N27H18sing0.97Å1.00Å
N28H19sing0.97Å1.00Å
C22H20sing1.08Å1.08Å
C23H21sing1.08Å1.08Å
C24H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C02C03C04115.1°115.1°
C03C02S01107.1°110.9°
C03C02H2126.4°124.6°
C02C03H3122.4°122.5°
C03C04C05111.7°113.3°
C04C03H3122.5°122.5°
C03C04H4124.1°123.4°
C02S01C0594.7°91.5°
S01C02H2126.5°124.5°
C04C05S01111.3°109.1°
C04C05C06133.7°125.4°
C05C04H4124.1°123.3°
S01C05C06114.9°125.4°
C05C06N08118.6°120.0°
C05C06N07118.0°120.0°
N08C06N07123.4°120.0°
C06N08H1112.0°120.0°
C06N07C11125.0°120.0°
C06N07H5117.5°120.1°
C12C13C14121.4°120.1°
C13C12C11119.5°119.9°
C13C12H7120.2°120.1°
C12C13H8119.3°119.9°
C13C14C15121.0°120.2°
C14C13H8119.3°120.0°
C13C14H9119.5°119.9°
C12C11N07120.8°120.0°
C12C11C16118.3°119.9°
C11C12H7120.2°120.1°
C14C15C16117.9°120.0°
C14C15C17119.7°120.0°
C15C14H9119.5°119.9°
N07C11C16120.5°120.1°
C11N07H5117.5°119.9°
C11C16C15121.8°119.9°
C11C16H6119.1°120.0°
C16C15C17122.3°120.0°
C15C16H6119.1°120.0°
C15C17C37113.8°109.5°
C15C17H10108.4°109.4°
C15C17H11108.4°109.4°
C17C37C35114.7°109.5°
C37C17H10108.4°109.5°
C37C17H11108.4°109.5°
C17C37H12108.2°109.5°
C17C37H13108.1°109.5°
C37C35C34122.9°120.0°
C37C35C36118.1°120.0°
C35C37H12108.1°109.4°
C35C37H13108.2°109.4°
C35C34C33120.0°120.2°
C34C35C36118.9°120.0°
C35C34H14120.0°119.9°
C34C33C32120.1°120.1°
C33C34H14120.0°120.0°
C34C33H15119.9°120.0°
C35C36C31122.2°119.9°
C35C36H17118.9°120.0°
C33C32C31121.8°119.9°
C32C33H15120.0°119.9°
C33C32H16119.1°120.0°
C36C31C32116.9°119.9°
C36C31N27116.8°120.1°
C31C36H17118.9°120.0°
C32C31N27126.3°120.0°
C31C32H16119.1°120.0°
C31N27C26129.2°120.0°
C31N27H18115.4°120.0°
C22S21C2594.4°91.6°
S21C22C23109.8°110.9°
S21C22H20125.1°124.5°
S21C25C26118.7°125.4°
S21C25C24108.2°109.1°
N27C26C25124.2°120.0°
N27C26N28117.1°120.0°
C26N27H18115.4°120.0°
C22C23C24113.3°115.1°
C23C22H20125.1°124.5°
C22C23H21123.3°122.5°
C25C26N28118.7°120.0°
C26C25C24133.1°125.4°
C26N28H19112.0°120.0°
C25C24C23114.3°113.3°
C25C24H22122.9°123.4°
C24C23H21123.3°122.5°
C23C24H22122.9°123.3°
H10C17H11109.4°109.5°
H12C37H13109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C02C03C04H3180.0°179.7°
C03C02S01H2180.0°179.9°
C02C03C04C050.0°0.5°
C03C02S01C051.4°0.0°
C02C03C04H4180.0°180.0°
C04C03C02S011.0°0.3°
C03C04C05H4180.0°179.5°
C03C04C05S011.1°0.5°
C03C04C05C06178.4°179.8°
C04C03C02H2179.0°179.8°
C02S01C05C041.5°0.3°
C02S01C05C06179.4°180.0°
S01C02C03H3179.0°180.0°
C04C05S01C06177.9°179.7°
C04C05C06N08142.3°0.3°
C04C05C06N0739.8°179.7°
C05C04C03H3180.0°179.8°
S01C05C06N0835.0°179.9°
S01C05C06N07142.9°0.1°
C05S01C02H2178.6°179.9°
S01C05C04H4178.9°180.0°
C05C06N08N07177.8°180.0°
C05C06N07C1124.1°173.8°
C05C06N08H1177.8°173.8°
C06C05C04H41.6°0.4°
C05C06N07H5155.9°6.2°
N08C06N07C11153.7°6.2°
N08C06N07H526.3°173.9°
C06N07C11C1227.6°40.1°
C06N07C11H5180.0°180.0°
C06N07C11C16145.1°140.2°
N07C06N08H10.0°6.3°
C12C13C14H8180.0°180.0°
C13C12C11H7180.0°180.0°
C12C13C14C150.0°0.3°
C13C12C11N07172.5°180.0°
C13C12C11C160.3°0.3°
C12C13C14H9180.0°179.9°
C14C13C12C111.2°0.0°
C13C14C15H9180.0°179.6°
C13C14C15C161.9°0.3°
C13C14C15C17178.5°180.0°
C14C13C12H7178.8°180.0°
C12C11N07C16172.6°179.7°
C12C11C16C151.7°0.3°
C12C11N07H5152.4°139.9°
C12C11C16H6178.3°179.8°
C11C12C13H8178.8°180.0°
C14C15C16C112.8°0.0°
C14C15C16C17176.5°179.7°
C14C15C17C3750.1°90.0°
C14C15C16H6177.2°180.0°
C15C14C13H8180.0°179.7°
C14C15C17H1070.5°150.0°
C14C15C17H11170.8°30.1°
N07C11C16C15174.6°180.0°
N07C11C16H65.4°0.1°
N07C11C12H77.5°0.0°
C11C16C15H6180.0°179.9°
C11C16C15C17179.3°179.7°
C16C11N07H534.9°39.8°
C16C11C12H7179.7°179.7°
C16C15C17C37133.4°89.7°
C16C15C14H9178.1°179.9°
C16C15C17H10105.9°30.3°
C16C15C17H1112.8°150.2°
C15C17C37H10120.7°120.0°
C15C17C37H11120.7°120.0°
C15C17C37C35172.9°180.0°
C17C15C16H60.7°0.2°
C17C15C14H91.5°0.4°
C15C17H10H11118.0°119.9°
C15C17C37H1252.2°60.0°
C15C17C37H1366.3°60.0°
C17C37C35H12120.7°120.0°
C17C37C35H13120.7°120.0°
C17C37C35C3418.8°89.7°
C17C37C35C36160.9°90.0°
C37C17H10H11118.0°120.1°
C17C37H12H13117.6°120.1°
C37C35C34C36179.7°179.7°
C37C35C34C33179.5°180.0°
C37C35C36C31179.2°179.7°
C35C37C17H1066.4°60.0°
C35C37C17H1152.3°60.0°
C35C37H12H13117.7°119.9°
C37C35C34H140.5°0.0°
C37C35C36H170.8°0.1°
C35C34C33H14180.0°180.0°
C35C34C33C320.0°0.0°
C34C35C36C310.5°0.5°
C34C35C37H12101.9°150.2°
C34C35C37H13139.6°30.3°
C35C34C33H15179.9°180.0°
C34C35C36H17179.5°179.8°
C33C34C35C360.2°0.3°
C34C33C32H15180.0°180.0°
C34C33C32C310.0°0.0°
C34C33C32H16180.0°179.9°
C35C36C31H17180.0°179.7°
C35C36C31C320.5°0.5°
C35C36C31N27178.1°179.7°
C36C35C37H1278.4°30.0°
C36C35C37H1340.1°150.0°
C36C35C34H14179.8°179.7°
C33C32C31C360.3°0.3°
C33C32C31H16180.0°179.9°
C33C32C31N27177.6°179.9°
C32C33C34H14180.0°179.9°
C36C31C32N27177.3°179.8°
C36C31N27C26169.2°143.9°
C36C31C32H16179.8°179.8°
C36C31N27H1810.8°35.9°
C32C31N27C268.1°35.8°
C31C32C33H15180.0°180.0°
C32C31C36H17179.5°179.8°
C32C31N27H18171.9°144.3°
C31N27C26H18180.0°179.9°
C31N27C26C252.3°174.5°
C31N27C26N28176.8°5.4°
N27C31C32H162.5°0.1°
N27C31C36H171.9°0.0°
S21C22C23H20180.0°179.9°
C22S21C25C26179.5°180.0°
C22S21C25C240.1°0.3°
S21C22C23C240.2°0.3°
S21C22C23H21179.8°180.0°
S21C25C26N2799.6°0.3°
C25S21C22C230.0°0.0°
S21C25C26C24179.5°179.6°
S21C25C26N2881.4°179.6°
S21C25C24C230.2°0.5°
C25S21C22H20179.9°179.9°
S21C25C24H22179.8°179.7°
N27C26C25N28179.0°180.0°
N27C26C25C2479.9°179.9°
N27C26N28H19179.1°180.0°
C22C23C24C250.3°0.6°
C22C23C24H21180.0°179.7°
C22C23C24H22179.7°179.7°
C26C25C24C23179.3°179.8°
C25C26N27H18177.7°5.6°
C25C26N28H190.0°0.0°
C26C25C24H220.7°0.0°
N28C26C25C2499.1°0.0°
N28C26N27H183.2°174.5°
C25C24C23H22180.0°179.8°
C25C24C23H21179.7°179.7°
C24C23C22H20179.8°179.8°
H2C02C03H31.0°0.1°
H3C03C04H40.0°0.3°
H7C12C13H81.2°0.0°
H8C13C14H90.0°0.1°
H10C17C37H12172.9°180.0°
H10C17C37H1354.4°60.0°
H11C17C37H1268.5°60.0°
H11C17C37H13173.0°180.0°
H14C34C33H150.1°0.1°
H15C33C32H160.1°0.1°
H20C22C23H210.2°0.1°
H21C23C24H220.3°0.0°

222415

PDB entries from 2024-07-10

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