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WQ6

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C29S26sing1.81Å1.78Å
O27S26doub1.42Å1.46Å
S26O28doub1.42Å1.45Å
S26N23sing1.66Å1.63Å
C4C3sing1.55Å1.54Å
C4C5sing1.55Å1.55Å
N23C22sing1.47Å1.48Å
N23C24sing1.47Å1.47Å
C22C21sing1.53Å1.53Å
C3C2sing1.54Å1.54Å
C24C25sing1.53Å1.52Å
C5N6sing1.47Å1.49Å
C2N6sing1.47Å1.48Å
C2C1sing1.53Å1.51Å
N6C7sing1.35Å1.35Å
C21C20sing1.53Å1.53Å
C20C25sing1.53Å1.53Å
C20N19sing1.46Å1.46Å
C7O8doub1.22Å1.22Å
C7C9sing1.48Å1.48Å
C18C9doub1.39Å1.40ÅAromatic
C18C17sing1.40Å1.41ÅAromatic
N16C17doub1.34Å1.36ÅAromatic
N16C15sing1.32Å1.32ÅAromatic
N19C15sing1.38Å1.37Å
C9C10sing1.40Å1.41ÅAromatic
C17C12sing1.42Å1.42ÅAromatic
C15N14doub1.33Å1.33ÅAromatic
C10C11doub1.36Å1.36ÅAromatic
C12C11sing1.40Å1.41ÅAromatic
C12C13doub1.41Å1.41ÅAromatic
N14C13sing1.32Å1.33ÅAromatic
C4H1sing1.09Å1.10Å
C4H2sing1.09Å1.10Å
C5H3sing1.09Å1.10Å
C5H4sing1.09Å1.10Å
C11H5sing1.08Å1.08Å
C10H6sing1.08Å1.08Å
C13H7sing1.08Å1.08Å
C3H8sing1.09Å1.10Å
C3H9sing1.09Å1.10Å
C1H10sing1.09Å1.10Å
C1H11sing1.09Å1.10Å
C1H12sing1.09Å1.10Å
C18H13sing1.08Å1.08Å
C2H14sing1.09Å1.10Å
C20H15sing1.09Å1.10Å
C21H16sing1.09Å1.10Å
C21H17sing1.09Å1.10Å
C22H18sing1.09Å1.10Å
C22H19sing1.09Å1.10Å
C24H20sing1.09Å1.10Å
C24H21sing1.09Å1.10Å
C25H22sing1.09Å1.10Å
C25H23sing1.09Å1.10Å
C29H24sing1.09Å1.10Å
C29H25sing1.09Å1.10Å
C29H26sing1.09Å1.10Å
N19H27sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C29S26O27109.7°110.6°
C29S26O28106.6°110.5°
C29S26N23101.8°104.5°
S26C29H24109.5°109.5°
S26C29H25109.5°109.5°
S26C29H26109.5°109.5°
O27S26O28118.8°121.0°
O27S26N23108.4°104.3°
O28S26N23110.2°104.3°
S26N23C22120.6°120.6°
S26N23C24119.2°120.7°
C3C4C5103.1°101.6°
C4C3C2101.0°103.0°
C3C4H1111.0°111.0°
C3C4H2111.0°111.1°
C4C3H8111.5°110.7°
C4C3H9111.6°110.7°
C4C5N6103.6°104.8°
C5C4H1111.0°111.0°
C5C4H2111.0°111.0°
C4C5H3110.9°110.4°
C4C5H4110.9°110.4°
C22N23C24118.5°118.7°
N23C22C21111.2°108.8°
N23C22H18109.0°109.5°
N23C22H19109.0°109.7°
N23C24C25112.8°108.8°
N23C24H20108.6°109.6°
N23C24H21108.6°109.7°
C22C21C20110.3°109.3°
C22C21H16109.3°109.5°
C22C21H17109.3°109.5°
C21C22H18109.0°109.6°
C21C22H19109.0°109.6°
C3C2N6106.1°107.2°
C3C2C1105.7°109.9°
C2C3H8111.6°110.7°
C2C3H9111.6°110.7°
C3C2H14113.6°109.9°
C24C25C20110.0°109.3°
C25C24H20108.6°109.5°
C25C24H21108.7°109.6°
C24C25H22109.3°109.5°
C24C25H23109.3°109.5°
C5N6C2109.5°108.7°
C5N6C7119.1°125.7°
N6C5H3110.9°110.3°
N6C5H4110.9°110.4°
N6C2C1101.8°109.9°
C2N6C7131.3°125.6°
N6C2H14114.6°109.9°
C2C1H10109.5°109.5°
C2C1H11109.4°109.4°
C2C1H12109.5°109.5°
C1C2H14114.0°110.0°
N6C7O8117.6°120.1°
N6C7C9123.9°120.0°
C21C20C25107.5°109.5°
C21C20N19105.9°109.4°
C21C20H15110.5°109.4°
C20C21H16109.2°109.5°
C20C21H17109.3°109.5°
C25C20N19110.7°109.5°
C25C20H15110.6°109.4°
C20C25H22109.3°109.5°
C20C25H23109.4°109.5°
C20N19C15123.3°120.0°
N19C20H15111.6°109.5°
C20N19H27105.9°120.0°
O8C7C9118.3°120.0°
C7C9C18115.5°119.7°
C7C9C10124.2°119.7°
C9C18C17120.1°119.3°
C18C9C10120.3°120.6°
C9C18H13120.0°120.3°
C18C17N16122.8°121.8°
C18C17C12118.3°119.4°
C17C18H13120.0°120.3°
C17N16C15120.0°120.3°
N16C17C12118.9°118.7°
N16C15N19119.5°118.7°
N16C15N14122.8°122.6°
N19C15N14117.6°118.7°
C15N19H27105.9°120.0°
C9C10C11120.4°120.8°
C9C10H6119.8°119.6°
C17C12C11121.1°119.9°
C17C12C13117.7°118.3°
C15N14C13121.0°121.6°
C10C11C12119.9°119.9°
C10C11H5120.1°120.0°
C11C10H6119.8°119.6°
C11C12C13121.2°121.8°
C12C11H5120.1°120.1°
C12C13N14119.5°118.5°
C12C13H7120.2°120.7°
N14C13H7120.2°120.8°
H1C4H2109.5°110.9°
H3C5H4109.5°110.4°
H8C3H9109.5°110.8°
H10C1H11109.5°109.5°
H10C1H12109.4°109.5°
H11C1H12109.5°109.5°
H16C21H17109.5°109.5°
H18C22H19109.5°109.5°
H20C24H21109.5°109.7°
H22C25H23109.5°109.5°
H24C29H25109.4°109.5°
H24C29H26109.5°109.4°
H25C29H26109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C29S26O27O28122.9°131.5°
C29S26O27N23110.4°111.8°
C29S26O28N23109.7°111.7°
C29S26N23C2291.5°90.0°
C29S26N23C2473.4°90.0°
S26C29H24H25120.0°120.1°
S26C29H24H26120.0°120.0°
S26C29H25H26120.0°120.0°
O27S26O28N23125.9°116.7°
O27S26N23C2224.2°26.1°
O27S26N23C24170.9°153.9°
O27S26C29H24180.0°51.6°
O27S26C29H2560.0°171.6°
O27S26C29H2660.0°68.4°
O28S26N23C22155.7°154.0°
O28S26N23C2439.4°26.1°
O28S26C29H2450.1°171.6°
O28S26C29H25170.1°51.6°
O28S26C29H2669.9°68.4°
S26N23C22C24165.0°179.9°
S26N23C22C21151.1°126.4°
S26N23C24C25151.2°126.4°
S26N23C22H1830.8°113.8°
S26N23C22H1988.7°6.5°
S26N23C24H2088.4°6.6°
S26N23C24H2130.7°113.8°
N23S26C29H2465.3°60.0°
N23S26C29H2554.7°60.0°
N23S26C29H26174.7°180.0°
C3C4C5H1119.0°118.1°
C3C4C5H2119.0°118.1°
C4C3C2H8118.6°118.4°
C4C3C2H9118.6°118.4°
C3C4C5N634.2°37.0°
C4C3C2N632.5°22.2°
C4C3C2C1140.1°97.2°
C3C4H1H2123.0°123.9°
C3C4C5H3153.3°81.8°
C3C4C5H484.8°155.8°
C4C3H8H9123.9°123.2°
C4C3C2H1494.3°141.6°
C5C4C3C240.6°35.5°
C4C5N6H3119.1°118.8°
C4C5N6H4119.0°118.9°
C4C5N6C214.0°24.1°
C4C5N6C7170.2°155.9°
C5C4H1H2123.0°123.9°
C4C5H3H4122.7°122.3°
C5C4C3H878.0°153.9°
C5C4C3H9159.2°82.9°
N23C22C21H18120.3°119.8°
N23C22C21H19120.3°120.0°
C22N23C24C2543.6°53.6°
N23C22C21C2053.1°54.6°
N23C22C21H1667.0°174.6°
N23C22C21H17173.2°65.4°
N23C22H18H19119.2°120.4°
C22N23C24H2076.8°173.3°
C22N23C24H21164.1°66.3°
C24N23C22C2144.0°53.6°
N23C24C25H20120.5°119.8°
N23C24C25H21120.5°119.9°
N23C24C25C2051.6°54.6°
C24N23C22H18164.2°66.3°
C24N23C22H1976.3°173.5°
N23C24H20H21118.5°120.5°
N23C24C25H22171.7°65.3°
N23C24C25H2368.4°174.6°
C22C21C20H16120.1°120.0°
C22C21C20H17120.1°119.9°
C22C21C20C2563.1°61.4°
C22C21C20N19178.6°178.6°
C22C21C20H1557.7°58.6°
C22C21H16H17119.6°120.0°
C21C22H18H19119.2°120.3°
C3C2N6C511.8°1.1°
C3C2N6C1110.4°119.4°
C3C2N6H14126.1°119.4°
C3C2C1H14125.4°121.1°
C3C2N6C7163.4°178.9°
C2C3C4H178.4°82.6°
C2C3C4H2159.5°153.6°
C2C3H8H9123.9°123.2°
C3C2C1H10180.0°61.5°
C3C2C1H1160.0°178.5°
C3C2C1H1260.0°58.5°
C24C25C20C2161.8°61.4°
C24C25C20H22120.1°119.9°
C24C25C20H23120.0°119.9°
C24C25C20N19176.9°178.6°
C24C25C20H1559.0°58.6°
C25C24H20H21118.5°120.3°
C24C25H22H23119.7°120.1°
C5N6C2C7175.2°180.0°
C5N6C2C1122.1°120.4°
C5N6C7O81.8°176.2°
C5N6C7C9177.1°3.8°
N6C5C4H184.7°81.1°
N6C5C4H2153.2°155.1°
N6C5H3H4122.7°122.3°
C5N6C2H14114.4°118.4°
N6C2C1H14123.9°121.1°
C2N6C7O8176.6°3.8°
C2N6C7C98.1°176.1°
C2N6C5H3133.0°94.7°
C2N6C5H4105.1°143.0°
N6C2C3H886.1°140.6°
N6C2C3H9151.1°96.2°
N6C2C1H1069.3°179.2°
N6C2C1H1150.7°60.8°
N6C2C1H12170.7°59.2°
C1C2N6C753.0°59.5°
C1C2C3H821.5°21.2°
C1C2C3H9101.3°144.4°
C2C1H10H11120.0°120.0°
C2C1H10H12120.0°120.0°
C2C1H11H12120.0°120.0°
N6C7O8C9175.5°179.9°
N6C7C9C1840.5°28.1°
N6C7C9C10140.1°152.0°
C7N6C5H351.1°85.3°
C7N6C5H470.8°37.0°
C7N6C2H1470.4°61.7°
C21C20C25N19115.2°120.0°
C21C20C25H15120.7°120.0°
C21C20N19H15120.3°119.9°
C21C20N19C15168.1°85.0°
C20C21H16H17119.6°120.1°
C20C21C22H18173.3°65.2°
C20C21C22H1967.2°174.6°
C21C20C25H22178.2°58.6°
C21C20C25H2358.3°178.7°
C21C20N19H2769.9°95.2°
C25C20N19H15123.6°120.0°
C25C20N19C1575.7°155.0°
C25C20C21H1657.1°178.7°
C25C20C21H17176.8°58.6°
C20C25C24H2068.8°174.4°
C20C25C24H21172.1°65.3°
C20C25H22H23119.8°120.1°
C25C20N19H2746.3°24.9°
C20N19C15N1615.4°180.0°
C20N19C15H27121.9°179.9°
C20N19C15N14164.1°0.1°
N19C20C21H1661.2°58.7°
N19C20C21H1758.5°61.4°
N19C20C25H2263.0°61.5°
N19C20C25H2356.9°58.7°
O8C7C9C18134.7°152.0°
O8C7C9C1044.7°27.9°
C7C9C18C10179.4°179.9°
C7C9C18C17179.6°179.7°
C7C9C10C11179.6°179.9°
C7C9C10H60.4°0.1°
C7C9C18H130.4°0.1°
C9C18C17H13180.0°179.6°
C9C18C17N16178.5°179.7°
C9C18C17C120.6°0.4°
C18C9C10C110.2°0.1°
C18C9C10H6179.8°180.0°
C18C17N16C12177.9°179.9°
C18C17N16C15178.9°179.9°
C17C18C9C100.2°0.4°
C18C17C12C111.3°0.1°
C18C17C12C13179.4°179.9°
C17N16C15N19179.2°180.0°
C17N16C15N140.3°0.0°
N16C17C12C11179.3°180.0°
N16C17C12C131.4°0.0°
N16C17C18H131.5°0.1°
N16C15N19N14179.5°179.9°
C15N16C17C121.0°0.0°
N16C15N14C131.3°0.1°
N16C15N19H27137.3°0.1°
N19C15N14C13178.2°180.0°
C15N19C20H1547.9°35.0°
C9C10C11H6180.0°180.0°
C9C10C11C120.5°0.3°
C9C10C11H5179.5°180.0°
C10C9C18H13179.9°180.0°
C17C12C11C101.3°0.3°
C17C12C11C13179.2°180.0°
C17C12C13N140.5°0.0°
C17C12C11H5178.7°179.9°
C17C12C13H7179.5°180.0°
C12C17C18H13179.4°180.0°
C15N14C13C120.8°0.1°
C15N14C13H7179.2°179.9°
N14C15N19H2742.2°180.0°
C10C11C12H5180.0°179.7°
C10C11C12C13179.4°179.7°
C11C12C13N14179.8°179.9°
C12C11C10H6179.5°179.7°
C11C12C13H70.2°0.0°
C12C13N14H7180.0°180.0°
C13C12C11H50.6°0.1°
H1C4C5H334.3°160.1°
H1C4C5H4156.2°37.8°
H1C4C3H8163.0°35.8°
H1C4C3H940.2°159.1°
H2C4C5H387.8°36.3°
H2C4C5H434.1°86.0°
H2C4C3H840.9°88.0°
H2C4C3H981.8°35.2°
H5C11C10H60.5°0.0°
H8C3C2H14147.1°100.0°
H9C3C2H1424.4°23.3°
H10C1H11H12120.0°120.0°
H10C1C2H1454.6°59.7°
H11C1C2H14174.6°60.3°
H12C1C2H1465.4°179.6°
H15C20C21H16177.8°61.3°
H15C20C21H1762.4°178.6°
H15C20C25H2261.1°178.5°
H15C20C25H23179.0°61.3°
H15C20N19H27169.8°144.9°
H16C21C22H1853.2°54.8°
H16C21C22H19172.7°65.5°
H17C21C22H1866.5°174.9°
H17C21C22H1952.9°54.6°
H20C24C25H2251.2°54.5°
H20C24C25H23171.1°65.7°
H21C24C25H2267.8°174.8°
H21C24C25H2352.1°54.7°
H24C29H25H26120.0°119.9°

225946

PDB entries from 2024-10-09

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