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1QR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28C27sing1.53Å1.53Å
C28C29sing1.53Å1.54Å
C27C26sing1.53Å1.52Å
C29N24sing1.47Å1.48Å
C26C25sing1.53Å1.53Å
N24C25sing1.47Å1.48Å
N24S21sing1.66Å1.67Å
O22S21doub1.42Å1.41Å
S21O23doub1.42Å1.42Å
S21C3sing1.76Å1.77Å
C4C3doub1.38Å1.38ÅAromatic
C4C5sing1.38Å1.39ÅAromatic
C3C2sing1.38Å1.38ÅAromatic
C5C6doub1.38Å1.39ÅAromatic
C2C1doub1.38Å1.39ÅAromatic
C6C1sing1.38Å1.39ÅAromatic
C6C7sing1.51Å1.50Å
C7N8sing1.47Å1.46Å
O10C9doub1.22Å1.23Å
N8C9sing1.35Å1.34Å
C9C11sing1.47Å1.46Å
C11C12doub1.36Å1.36ÅAromatic
C11N19sing1.38Å1.39ÅAromatic
C12C13sing1.41Å1.42ÅAromatic
N19C18sing1.37Å1.36ÅAromatic
C13C18doub1.41Å1.41ÅAromatic
C13C14sing1.40Å1.40ÅAromatic
C18C17sing1.39Å1.40ÅAromatic
C14N15doub1.32Å1.33ÅAromatic
C17C16doub1.37Å1.37ÅAromatic
N15C16sing1.32Å1.33ÅAromatic
C4H1sing1.08Å1.08Å
C5H2sing1.08Å1.08Å
C7H3sing1.09Å1.10Å
C7H4sing1.09Å1.10Å
C17H5sing1.08Å1.08Å
C26H6sing1.09Å1.10Å
C26H7sing1.09Å1.10Å
C28H8sing1.09Å1.10Å
C28H9sing1.09Å1.10Å
C1H10sing1.08Å1.08Å
C2H11sing1.08Å1.08Å
N8H12sing0.97Å1.00Å
C12H13sing1.08Å1.08Å
C14H14sing1.08Å1.08Å
C16H15sing1.08Å1.08Å
N19H16sing0.97Å1.00Å
C25H17sing1.09Å1.10Å
C25H18sing1.09Å1.10Å
C27H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C29H21sing1.09Å1.10Å
C29H22sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C27C28C29108.4°109.3°
C28C27C26107.8°109.5°
C27C28H8109.7°109.5°
C27C28H9109.7°109.5°
C28C27H19109.9°109.4°
C28C27H20109.9°109.5°
C28C29N24113.0°108.8°
C29C28H8109.7°109.5°
C29C28H9109.7°109.5°
C28C29H21108.6°109.6°
C28C29H22108.6°109.6°
C27C26C25110.7°109.3°
C27C26H6109.2°109.5°
C27C26H7109.2°109.6°
C26C27H19109.9°109.4°
C26C27H20109.9°109.4°
C29N24C25122.1°118.7°
C29N24S21119.4°120.6°
N24C29H21108.6°109.6°
N24C29H22108.6°109.6°
C26C25N24114.9°108.8°
C25C26H6109.1°109.5°
C25C26H7109.2°109.5°
C26C25H17108.1°109.6°
C26C25H18108.1°109.6°
C25N24S21118.3°120.7°
N24C25H17108.1°109.6°
N24C25H18108.1°109.6°
N24S21O22105.7°106.4°
N24S21O23105.7°106.4°
N24S21C398.2°107.2°
O22S21O23124.0°123.2°
O22S21C3109.0°106.4°
O23S21C3110.9°106.4°
S21C3C4120.5°120.0°
S21C3C2121.1°120.0°
C3C4C5121.1°120.0°
C4C3C2118.3°120.0°
C3C4H1119.4°120.0°
C4C5C6120.6°120.0°
C5C4H1119.5°119.9°
C4C5H2119.7°120.1°
C3C2C1120.8°120.0°
C3C2H11119.6°120.0°
C5C6C1118.3°120.0°
C5C6C7120.7°120.0°
C6C5H2119.7°120.0°
C2C1C6120.9°120.0°
C2C1H10119.6°120.0°
C1C2H11119.6°120.0°
C1C6C7121.0°120.0°
C6C1H10119.6°120.0°
C6C7N8114.5°109.4°
C6C7H3108.2°109.4°
C6C7H4108.2°109.4°
C7N8C9120.6°120.0°
N8C7H3108.2°109.5°
N8C7H4108.2°109.5°
C7N8H12119.7°120.0°
O10C9N8121.7°120.1°
O10C9C11121.7°120.0°
N8C9C11116.5°120.0°
C9N8H12119.7°120.0°
C9C11C12126.4°125.5°
C9C11N19123.8°125.4°
C12C11N19109.8°109.1°
C11C12C13107.4°107.7°
C11C12H13126.3°126.1°
C11N19C18107.9°108.8°
C11N19H16126.1°125.5°
C12C13C18106.4°106.8°
C12C13C14134.2°134.4°
C13C12H13126.3°126.1°
N19C18C13108.6°107.5°
N19C18C17133.5°134.3°
C18N19H16126.0°125.6°
C18C13C14119.5°118.8°
C13C18C17117.9°118.2°
C13C14N15120.0°120.1°
C13C14H14120.0°120.0°
C18C17C16118.6°119.0°
C18C17H5120.7°120.5°
C14N15C16120.9°122.3°
N15C14H14120.0°119.9°
C17C16N15123.1°121.6°
C16C17H5120.7°120.5°
C17C16H15118.5°119.1°
N15C16H15118.5°119.2°
H3C7H4109.5°109.5°
H6C26H7109.5°109.5°
H8C28H9109.5°109.5°
H17C25H18109.4°109.7°
H19C27H20109.5°109.5°
H21C29H22109.5°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C27C28C29H8119.8°120.0°
C27C28C29H9119.9°119.9°
C28C27C26H19119.8°120.0°
C28C27C26H20119.8°120.0°
C27C28C29N2449.5°54.7°
C28C27C26C2562.7°61.4°
C28C27C26H657.4°58.5°
C28C27C26H7177.1°178.7°
C27C28H8H9120.5°120.1°
C28C27H19H20120.8°120.0°
C27C28C29H2171.0°174.4°
C27C28C29H22170.0°65.2°
C29C28C27C2667.7°61.4°
C28C29N24H21120.5°119.8°
C28C29N24H22120.5°119.8°
C28C29N24C2528.8°53.6°
C28C29N24S21156.1°126.4°
C29C28H8H9120.5°120.0°
C29C28C27H19172.6°178.7°
C29C28C27H2052.1°58.6°
C28C29H21H22118.4°120.3°
C27C26C25H6120.2°120.0°
C27C26C25H7120.2°120.0°
C27C26C25N2439.8°54.7°
C27C26H6H7119.4°120.2°
C26C27C28H8172.5°58.6°
C26C27C28H952.2°178.7°
C27C26C25H17160.6°65.2°
C27C26C25H1881.0°174.4°
C26C27H19H20120.7°119.9°
C29N24C25C2623.7°53.6°
C29N24C25S21175.2°180.0°
C29N24S21O2227.4°156.5°
C29N24S21O23160.5°23.5°
C29N24S21C385.1°90.0°
N24C29C28H8169.4°65.3°
N24C29C28H970.3°174.6°
C29N24C25H17144.6°66.2°
C29N24C25H1897.1°173.4°
N24C29H21H22118.4°120.4°
C26C25N24H17120.8°119.8°
C26C25N24H18120.8°119.8°
C26C25N24S21161.1°126.4°
C25C26H6H7119.4°120.0°
C26C25H17H18117.5°120.3°
C25C26C27H19177.5°178.7°
C25C26C27H2057.0°58.7°
C25N24S21O22157.2°23.5°
C25N24S21O2324.2°156.5°
C25N24S21C390.3°90.0°
N24C25C26H680.4°65.3°
N24C25C26H7160.0°174.7°
N24C25H17H18117.5°120.4°
C25N24C29H2191.7°173.4°
C25N24C29H22149.3°66.2°
N24S21O22O23121.9°122.9°
N24S21O22C3104.7°114.1°
N24S21O23C3105.3°114.1°
N24S21C3C489.0°90.1°
N24S21C3C288.3°90.0°
S21N24C25H1740.2°113.8°
S21N24C25H1878.1°6.6°
S21N24C29H2183.4°6.6°
S21N24C29H2235.6°113.8°
O22S21O23C3132.7°123.0°
O22S21C3C420.8°156.4°
O22S21C3C2161.9°23.5°
O23S21C3C4160.8°23.5°
O23S21C3C222.0°156.5°
S21C3C4C2177.4°179.9°
S21C3C4C5178.2°180.0°
S21C3C2C1178.0°180.0°
S21C3C4H11.8°0.2°
S21C3C2H112.0°0.0°
C3C4C5H1180.0°179.8°
C3C4C5C60.3°0.1°
C4C3C2C10.6°0.0°
C3C4C5H2179.7°179.9°
C4C3C2H11179.4°180.0°
C5C4C3C20.8°0.1°
C4C5C6H2180.0°180.0°
C4C5C6C11.5°0.0°
C4C5C6C7178.2°180.0°
C3C2C1H11180.0°180.0°
C3C2C1C60.7°0.0°
C2C3C4H1179.2°179.7°
C3C2C1H10179.3°180.0°
C5C6C1C21.7°0.0°
C5C6C1C7176.7°180.0°
C5C6C7N8111.7°90.0°
C6C5C4H1179.7°179.7°
C5C6C7H3127.5°150.0°
C5C6C7H49.0°30.0°
C5C6C1H10178.3°180.0°
C2C1C6H10180.0°180.0°
C2C1C6C7178.4°180.0°
C1C6C7N871.7°90.0°
C1C6C5H2178.4°179.9°
C1C6C7H349.1°30.0°
C1C6C7H4167.6°150.0°
C6C1C2H11179.3°180.0°
C6C7N8H3120.7°120.0°
C6C7N8H4120.7°120.0°
C6C7N8C974.9°180.0°
C7C6C5H21.8°0.0°
C6C7H3H4117.7°120.0°
C7C6C1H101.6°0.0°
C6C7N8H12105.1°0.0°
C7N8C9O102.5°0.1°
C7N8C9H12180.0°180.0°
C7N8C9C11178.5°180.0°
N8C7H3H4117.7°120.1°
O10C9N8C11176.0°179.9°
O10C9C11C1210.7°0.1°
O10C9C11N19171.9°179.7°
O10C9N8H12177.5°179.9°
N8C9C11C12165.3°180.0°
N8C9C11N1912.1°0.2°
C9N8C7H3164.3°60.0°
C9N8C7H445.8°60.0°
C9C11C12N19177.7°179.8°
C9C11C12C13177.9°180.0°
C9C11N19C18177.6°179.8°
C11C9N8H121.5°0.0°
C9C11C12H132.1°0.1°
C9C11N19H162.3°0.2°
C11C12C13H13180.0°179.9°
C12C11N19C180.1°0.4°
C11C12C13C180.4°0.1°
C11C12C13C14179.7°179.7°
C12C11N19H16179.9°180.0°
N19C11C12C130.2°0.2°
C11N19C18H16180.0°179.6°
C11N19C18C130.4°0.4°
C11N19C18C17179.9°179.7°
N19C11C12H13179.8°179.7°
C12C13C18N190.5°0.3°
C12C13C18C14179.4°179.7°
C12C13C18C17179.7°179.8°
C12C13C14N15178.6°179.6°
C12C13C14H141.4°0.3°
N19C18C13C17179.8°179.9°
N19C18C13C14179.9°180.0°
N19C18C17C16179.1°180.0°
N19C18C17H50.9°0.1°
C18C13C14N150.6°0.0°
C13C18C17C161.1°0.1°
C13C18C17H5178.9°180.0°
C18C13C12H13179.6°180.0°
C18C13C14H14179.4°180.0°
C13C18N19H16179.7°180.0°
C14C13C18C170.3°0.0°
C13C14N15H14180.0°179.9°
C13C14N15C160.6°0.0°
C14C13C12H130.3°0.4°
C18C17C16H5180.0°179.9°
C18C17C16N151.2°0.1°
C18C17C16H15178.9°180.0°
C17C18N19H160.1°0.1°
C14N15C16C170.2°0.0°
C14N15C16H15179.8°179.9°
C17C16N15H15180.0°179.9°
N15C16C17H5178.9°180.0°
C16N15C14H14179.3°180.0°
H1C4C5H20.3°0.3°
H3C7N8H1215.7°120.0°
H4C7N8H12134.2°120.0°
H5C17C16H151.1°0.1°
H6C26C25H1740.4°174.9°
H6C26C25H18158.8°54.5°
H6C26C27H1962.3°61.4°
H6C26C27H20177.2°178.6°
H7C26C25H1779.2°54.8°
H7C26C25H1839.2°65.6°
H7C26C27H1957.3°58.7°
H7C26C27H2063.2°61.3°
H8C28C27H1952.8°61.4°
H8C28C27H2067.7°178.6°
H8C28C29H2148.9°54.5°
H8C28C29H2270.1°174.9°
H9C28C27H1967.6°58.7°
H9C28C27H20171.9°61.3°
H9C28C29H21169.2°65.6°
H9C28C29H2250.2°54.8°
H10C1C2H110.7°0.0°

223532

PDB entries from 2024-08-07

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