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SummaryGeometryRelated PDB entries

QY3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C27C26doub1.38Å1.40ÅAromatic
C27C28sing1.38Å1.41ÅAromatic
C26C25sing1.38Å1.43ÅAromatic
C28C29doub1.38Å1.44ÅAromatic
C25C24doub1.40Å1.43ÅAromatic
C29C24sing1.40Å1.44ÅAromatic
C29F30sing1.35Å1.32Å
C24C22sing1.48Å1.45Å
C21C22doub1.35Å1.40ÅAromatic
C21C20sing1.38Å1.43ÅAromatic
C22S23sing1.76Å1.78ÅAromatic
C20C19doub1.34Å1.40ÅAromatic
S23C19sing1.76Å1.74ÅAromatic
C19C18sing1.51Å1.49Å
C18N17sing1.47Å1.54Å
C16N17sing1.47Å1.53Å
C16C15sing1.53Å1.57Å
N17C31sing1.47Å1.50Å
C15N14sing1.47Å1.50Å
C31C32sing1.53Å1.53Å
N14C32sing1.47Å1.49Å
N14S11sing1.66Å1.78Å
O03S02doub1.42Å1.61Å
O04S02doub1.42Å1.61Å
O13S11doub1.42Å1.59Å
S11C09sing1.76Å1.76Å
S11O12doub1.42Å1.63Å
S02C05sing1.76Å1.82Å
S02N01sing1.66Å1.73Å
C10C09doub1.38Å1.41ÅAromatic
C10C05sing1.38Å1.39ÅAromatic
C09C08sing1.38Å1.41ÅAromatic
C05C06doub1.39Å1.46ÅAromatic
C08C07doub1.38Å1.40ÅAromatic
C06C07sing1.39Å1.41ÅAromatic
C06N33sing1.40Å1.33Å
C10H1sing1.08Å1.08Å
C15H2sing1.09Å1.10Å
C15H3sing1.09Å1.10Å
C20H4sing1.08Å1.08Å
C21H5sing1.08Å1.08Å
C26H6sing1.08Å1.08Å
C28H7sing1.08Å1.08Å
N01H8sing0.97Å1.00Å
N01H9sing0.97Å1.00Å
C07H10sing1.08Å1.08Å
C08H11sing1.08Å1.08Å
C16H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C18H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C25H17sing1.08Å1.08Å
C27H18sing1.08Å1.08Å
C31H19sing1.09Å1.10Å
C31H20sing1.09Å1.10Å
C32H21sing1.09Å1.10Å
C32H22sing1.09Å1.10Å
N33H23sing0.97Å1.00Å
N33H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C26C27C28118.4°120.3°
C27C26C25120.6°120.2°
C27C26H6119.7°119.9°
C26C27H18120.8°119.8°
C27C28C29121.7°120.1°
C27C28H7119.1°120.0°
C28C27H18120.8°119.8°
C26C25C24122.9°119.8°
C25C26H6119.7°119.9°
C26C25H17118.5°120.1°
C28C29C24121.0°119.9°
C28C29F30116.3°120.1°
C29C28H7119.2°120.0°
C25C24C29115.4°119.7°
C25C24C22118.6°120.1°
C24C25H17118.5°120.0°
C24C29F30122.7°120.1°
C29C24C22126.0°120.2°
C24C22C21127.7°125.3°
C24C22S23130.6°125.3°
C22C21C20117.7°114.7°
C21C22S23101.7°109.4°
C22C21H5121.2°122.6°
C21C20C19116.5°115.1°
C21C20H4121.8°122.5°
C20C21H5121.1°122.7°
C22S23C19100.7°91.0°
C20C19S23103.3°109.8°
C20C19C18132.6°125.1°
C19C20H4121.7°122.5°
S23C19C18124.1°125.1°
C19C18N17114.0°109.5°
C19C18H15108.3°109.5°
C19C18H16108.3°109.5°
C18N17C16111.3°111.0°
C18N17C31106.0°111.0°
N17C18H15108.3°109.5°
N17C18H16108.3°109.4°
N17C16C15111.3°109.3°
C16N17C31115.0°111.3°
N17C16H12109.0°109.5°
N17C16H13109.0°109.4°
C16C15N14112.8°108.5°
C16C15H2108.6°109.7°
C16C15H3108.6°109.8°
C15C16H12109.0°109.5°
C15C16H13109.0°109.5°
N17C31C32111.4°109.4°
N17C31H19109.0°109.5°
N17C31H20109.0°109.5°
C15N14C32112.1°118.2°
C15N14S11112.0°120.9°
N14C15H2108.7°109.6°
N14C15H3108.6°109.6°
C31C32N14112.7°108.5°
C32C31H19109.0°109.5°
C32C31H20109.0°109.5°
C31C32H21108.7°109.7°
C31C32H22108.7°109.7°
C32N14S11106.3°120.9°
N14C32H21108.6°109.6°
N14C32H22108.7°109.6°
N14S11O13110.0°106.4°
N14S11C09117.9°107.2°
N14S11O1297.7°106.4°
O03S02O04108.1°123.2°
O03S02C05108.1°106.4°
O03S02N01104.9°106.4°
O04S02C05114.0°106.4°
O04S02N01106.1°106.4°
O13S11C09110.5°106.4°
O13S11O12107.8°123.2°
C09S11O12111.9°106.4°
S11C09C10123.2°119.9°
S11C09C08116.2°119.9°
C05S02N01115.1°107.2°
S02C05C10115.5°120.0°
S02C05C06129.2°120.1°
S02N01H8109.5°120.0°
S02N01H9109.4°119.9°
C09C10C05123.1°120.0°
C10C09C08120.6°120.2°
C09C10H1118.5°120.0°
C10C05C06115.3°119.9°
C05C10H1118.4°120.0°
C09C08C07119.1°120.1°
C09C08H11120.5°119.9°
C05C06C07122.1°119.9°
C05C06N33126.0°120.1°
C08C07C06119.8°119.9°
C08C07H10120.1°120.1°
C07C08H11120.4°120.0°
C07C06N33111.8°120.1°
C06C07H10120.1°120.0°
C06N33H23109.5°120.0°
C06N33H24109.5°120.0°
H2C15H3109.5°109.6°
H8N01H9109.5°120.1°
H12C16H13109.5°109.5°
H15C18H16109.5°109.5°
H19C31H20109.4°109.5°
H21C32H22109.5°109.8°
H23N33H24109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C26C27C28H18180.0°179.8°
C27C26C25H6180.0°180.0°
C26C27C28C291.2°0.2°
C27C26C25C241.2°0.0°
C26C27C28H7178.8°179.8°
C27C26C25H17178.8°180.0°
C28C27C26C252.0°0.2°
C27C28C29H7180.0°179.9°
C27C28C29C240.4°0.1°
C27C28C29F30180.0°179.9°
C28C27C26H6178.0°179.8°
C26C25C24H17180.0°180.0°
C26C25C24C290.4°0.3°
C26C25C24C22178.5°179.9°
C25C26C27H18178.0°180.0°
C28C29C24C251.2°0.3°
C28C29C24F30179.6°180.0°
C28C29C24C22179.2°180.0°
C29C28C27H18178.9°180.0°
C25C24C29C22178.0°179.6°
C25C24C29F30179.3°179.7°
C25C24C22C2150.8°130.0°
C25C24C22S23127.2°49.9°
C24C25C26H6178.8°180.0°
C29C24C22C21131.3°50.3°
C29C24C22S2350.7°129.7°
C24C29C28H7179.6°180.0°
C29C24C25H17179.6°179.8°
F30C29C24C221.2°0.0°
F30C29C28H70.0°0.0°
C24C22C21S23178.5°179.9°
C24C22C21C20179.0°180.0°
C24C22S23C19178.2°180.0°
C24C22C21H51.0°0.1°
C22C24C25H171.4°0.1°
C22C21C20H5180.0°179.9°
C22C21C20C191.3°0.1°
C21C22S23C190.2°0.0°
C22C21C20H4178.7°179.7°
C20C21C22S230.6°0.0°
C21C20C19H4180.0°179.6°
C21C20C19S231.3°0.0°
C21C20C19C18179.4°179.7°
C22S23C19C200.8°0.0°
C22S23C19C18179.8°179.8°
S23C22C21H5179.4°180.0°
C20C19S23C18179.4°179.8°
C20C19C18N17128.3°90.0°
C19C20C21H5178.7°180.0°
C20C19C18H157.6°30.0°
C20C19C18H16111.1°150.0°
S23C19C18N1752.5°90.3°
S23C19C20H4178.7°179.7°
S23C19C18H15173.2°149.7°
S23C19C18H1668.1°29.7°
C19C18N17H15120.6°120.0°
C19C18N17H16120.7°120.0°
C19C18N17C1667.9°170.0°
C19C18N17C31166.4°65.7°
C18C19C20H40.6°0.1°
C19C18H15H16117.9°120.0°
C18N17C16C31120.5°124.1°
C18N17C16C15167.5°172.8°
C18N17C31C32173.7°172.7°
C18N17C16H1272.2°67.3°
C18N17C16H1347.3°52.8°
N17C18H15H16118.0°120.0°
C18N17C31H1953.4°67.3°
C18N17C31H2066.0°52.7°
N17C16C15H12120.3°120.0°
N17C16C15H13120.3°119.9°
N17C16C15N1447.7°53.8°
C16N17C31C3250.4°63.1°
N17C16C15H272.8°173.5°
N17C16C15H3168.2°65.9°
N17C16H12H13119.2°120.0°
C16N17C18H1552.7°70.0°
C16N17C18H16171.4°50.0°
C16N17C31H1969.9°56.9°
C16N17C31H20170.7°176.9°
C15C16N17C3147.0°63.1°
C16C15N14H2120.5°119.7°
C16C15N14H3120.5°119.9°
C16C15N14C3253.0°51.2°
C16C15N14S11172.3°128.8°
C16C15H2H3118.5°120.6°
C15C16H12H13119.1°120.1°
N17C31C32H19120.3°120.0°
N17C31C32H20120.3°120.0°
N17C31C32N1454.3°53.8°
C31N17C16H12167.3°56.9°
C31N17C16H1373.2°176.9°
C31N17C18H1572.9°54.3°
C31N17C18H1645.8°174.3°
N17C31H19H20119.1°120.0°
N17C31C32H21174.8°65.8°
N17C31C32H2266.2°173.5°
C15N14C32C3156.5°51.2°
C15N14C32S11122.6°180.0°
C15N14S11O1350.9°156.4°
C15N14S11C0977.1°90.0°
C15N14S11O12163.1°23.5°
N14C15H2H3118.5°120.4°
N14C15C16H12168.0°66.1°
N14C15C16H1372.6°173.7°
C15N14C32H21176.9°68.5°
C15N14C32H2264.0°170.9°
C31C32N14H21120.5°119.7°
C31C32N14H22120.5°119.7°
C31C32N14S11179.1°128.8°
C32C31H19H20119.1°120.1°
C31C32H21H22118.6°120.6°
C32N14S11O13173.6°23.6°
C32N14S11C0945.6°90.0°
C32N14S11O1274.2°156.5°
C32N14C15H267.5°170.9°
C32N14C15H3173.4°68.7°
N14C32C31H1966.0°66.1°
N14C32C31H20174.6°173.8°
N14C32H21H22118.5°120.4°
N14S11O13C09131.9°114.1°
N14S11O13O12105.5°123.0°
N14S11C09O12112.1°113.5°
N14S11C09C10101.0°90.0°
N14S11C09C0878.4°90.1°
S11N14C15H251.8°9.1°
S11N14C15H367.2°111.3°
S11N14C32H2160.5°111.5°
S11N14C32H2258.6°9.1°
O03S02O04C05120.2°123.0°
O03S02O04N01112.1°123.0°
O03S02C05N01116.8°113.6°
O03S02C05C10116.6°1.4°
O03S02C05C0663.8°178.5°
O03S02N01H8180.0°113.5°
O03S02N01H960.0°66.5°
O04S02C05N01123.0°113.5°
O04S02C05C103.6°131.5°
O04S02C05C06176.0°48.5°
O04S02N01H865.7°113.6°
O04S02N01H9174.3°66.5°
O13S11C09O12120.2°132.9°
O13S11C09C1026.7°23.5°
O13S11C09C08153.9°156.4°
S11C09C10C08179.3°179.9°
S11C09C10C05178.1°180.0°
S11C09C08C07179.6°180.0°
S11C09C10H11.9°0.2°
S11C09C08H110.4°0.1°
O12S11C09C10146.9°156.5°
O12S11C09C0833.7°23.5°
S02C05C10C09178.5°180.0°
S02C05C10C06179.7°180.0°
S02C05C06C07179.4°180.0°
S02C05C06N333.5°0.1°
S02C05C10H11.5°0.2°
C05S02N01H861.4°0.1°
C05S02N01H958.7°180.0°
N01S02C05C10126.6°115.0°
N01S02C05C0653.1°65.0°
S02N01H8H9120.0°180.0°
C09C10C05H1180.0°179.8°
C09C10C05C061.8°0.0°
C10C09C08C070.2°0.0°
C10C09C08H11179.8°179.9°
C05C10C09C081.3°0.0°
C10C05C06C071.0°0.0°
C10C05C06N33176.8°180.0°
C09C08C07H11180.0°179.9°
C09C08C07C060.9°0.0°
C08C09C10H1178.7°179.7°
C09C08C07H10179.1°180.0°
C05C06C07C080.4°0.0°
C05C06C07N33176.4°180.0°
C06C05C10H1178.2°179.7°
C05C06C07H10179.6°180.0°
C05C06N33H23180.0°0.0°
C05C06N33H2460.0°180.0°
C08C07C06H10180.0°180.0°
C08C07C06N33176.1°180.0°
C06C07C08H11179.1°179.9°
C07C06N33H233.8°180.0°
C07C06N33H24116.3°0.0°
N33C06C07H104.0°0.0°
C06N33H23H24120.1°180.0°
H2C15C16H1247.5°53.6°
H2C15C16H13166.9°66.5°
H3C15C16H1271.6°174.1°
H3C15C16H1347.9°54.0°
H4C20C21H51.3°0.4°
H6C26C25H171.2°0.0°
H6C26C27H181.9°0.0°
H7C28C27H181.2°0.1°
H10C07C08H110.9°0.1°
H19C31C32H2154.4°174.2°
H19C31C32H22173.5°53.5°
H20C31C32H2165.0°54.1°
H20C31C32H2254.1°66.5°

227344

PDB entries from 2024-11-13

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