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4S3

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C27C28doub1.39Å1.39ÅAromatic
C27C26sing1.38Å1.39ÅAromatic
C28C29sing1.37Å1.39ÅAromatic
C26C23doub1.39Å1.39ÅAromatic
C29C24doub1.41Å1.40ÅAromatic
C23C24sing1.40Å1.40ÅAromatic
C23S22sing1.76Å1.74ÅAromatic
C24N25sing1.34Å1.39ÅAromatic
S22C10sing1.76Å1.75ÅAromatic
N25C10doub1.29Å1.30ÅAromatic
C10C06sing1.47Å1.46Å
O09C05doub1.22Å1.23Å
C06C05sing1.41Å1.45Å
C06C01doub1.40Å1.47Å
C05N04sing1.35Å1.39Å
N07C01sing1.38Å1.37Å
N07C11sing1.47Å1.46Å
C16C11sing1.53Å1.53Å
C16C15sing1.53Å1.52Å
C01N02sing1.33Å1.36Å
N04C03sing1.36Å1.37Å
C11C12sing1.53Å1.57Å
C15C14sing1.53Å1.50Å
N02C03doub1.32Å1.34Å
C03N08sing1.37Å1.44Å
C12N13sing1.47Å1.46Å
C14N13sing1.47Å1.47Å
N08C21sing1.47Å1.47Å
N08C17sing1.47Å1.47Å
C21C20sing1.54Å1.50Å
C17C18sing1.53Å1.51Å
C20O19sing1.43Å1.42Å
C18O19sing1.43Å1.43Å
N04H1sing0.97Å1.00Å
N07H2sing0.97Å1.00Å
C11H3sing1.09Å1.10Å
C12H4sing1.09Å1.10Å
C12H5sing1.09Å1.10Å
N13H6sing1.01Å1.00Å
C14H8sing1.09Å1.10Å
C14H9sing1.09Å1.10Å
C15H10sing1.09Å1.10Å
C15H11sing1.09Å1.10Å
C16H12sing1.09Å1.10Å
C16H13sing1.09Å1.10Å
C17H14sing1.09Å1.10Å
C17H15sing1.09Å1.10Å
C18H16sing1.09Å1.10Å
C18H17sing1.09Å1.10Å
C20H18sing1.09Å1.10Å
C20H19sing1.09Å1.10Å
C21H20sing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C26H22sing1.08Å1.08Å
C27H23sing1.08Å1.08Å
C28H24sing1.08Å1.08Å
C29H25sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C28C27C26120.5°120.0°
C27C28C29120.6°120.6°
C28C27H23119.8°120.0°
C27C28H24119.7°119.7°
C27C26C23119.0°120.2°
C27C26H22120.5°119.9°
C26C27H23119.7°120.0°
C28C29C24119.6°120.5°
C29C28H24119.7°119.7°
C28C29H25120.2°119.8°
C26C23C24121.0°120.4°
C26C23S22129.5°131.2°
C23C26H22120.5°119.9°
C29C24C23119.3°118.3°
C29C24N25125.7°128.7°
C24C29H25120.2°119.7°
C24C23S22109.6°108.4°
C23C24N25114.9°112.9°
C23S22C1088.8°90.5°
C24N25C10110.9°117.8°
S22C10N25115.7°110.3°
S22C10C06125.3°124.9°
N25C10C06119.0°124.8°
C10C06C05120.0°120.8°
C10C06C01121.5°120.9°
O09C05C06125.6°120.7°
O09C05N04119.2°120.6°
C05C06C01118.5°118.3°
C06C05N04115.2°118.7°
C06C01N07122.0°120.2°
C06C01N02119.9°119.5°
C05N04C03124.9°120.2°
C05N04H1117.6°119.9°
C01N07C11130.9°120.0°
N07C01N02118.1°120.3°
C01N07H2103.9°120.0°
N07C11C16108.8°109.5°
N07C11C12111.5°109.5°
C11N07H2103.8°120.0°
N07C11H3110.2°109.5°
C11C16C15111.8°109.1°
C16C11C12108.3°109.3°
C16C11H3109.3°109.5°
C11C16H12108.9°109.5°
C11C16H13108.9°109.5°
C16C15C14112.6°109.3°
C16C15H10108.7°109.6°
C16C15H11108.7°109.5°
C15C16H12108.9°109.6°
C15C16H13108.9°109.5°
C01N02C03121.5°121.4°
N04C03N02120.0°121.8°
N04C03N08121.2°119.1°
C03N04H1117.6°119.8°
C11C12N13112.3°109.5°
C12C11H3108.7°109.5°
C11C12H4108.8°109.4°
C11C12H5108.8°109.4°
C15C14N13113.7°109.5°
C15C14H8108.4°109.5°
C15C14H9108.4°109.5°
C14C15H10108.7°109.5°
C14C15H11108.7°109.5°
N02C03N08118.8°119.1°
C03N08C21120.1°121.0°
C03N08C17118.6°120.9°
C12N13C14118.6°111.2°
N13C12H4108.7°109.5°
N13C12H5108.8°109.5°
C12N13H6107.1°111.0°
C14N13H6107.1°111.0°
N13C14H8108.4°109.5°
N13C14H9108.4°109.4°
C21N08C17112.8°118.1°
N08C21C20110.3°108.2°
N08C21H20109.3°109.7°
N08C21H21109.3°109.7°
N08C17C18110.5°108.3°
N08C17H14109.2°109.7°
N08C17H15109.2°109.6°
C21C20O19111.4°109.1°
C21C20H18109.0°109.6°
C21C20H19109.0°109.5°
C20C21H20109.3°109.8°
C20C21H21109.3°109.8°
C17C18O19111.8°109.2°
C18C17H14109.2°109.7°
C18C17H15109.2°109.7°
C17C18H16108.9°109.5°
C17C18H17108.9°109.5°
C20O19C18109.7°114.2°
O19C20H18109.0°109.5°
O19C20H19108.9°109.5°
O19C18H16108.9°109.6°
O19C18H17108.9°109.5°
H4C12H5109.5°109.5°
H8C14H9109.5°109.5°
H10C15H11109.5°109.5°
H12C16H13109.5°109.6°
H14C17H15109.5°109.7°
H16C18H17109.5°109.5°
H18C20H19109.5°109.5°
H20C21H21109.4°109.7°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C28C27C26H23180.0°179.6°
C27C28C29H24180.0°179.6°
C28C27C26C230.6°0.1°
C27C28C29C241.3°0.6°
C28C27C26H22179.4°180.0°
C27C28C29H25178.7°180.0°
C26C27C28C290.3°0.4°
C27C26C23H22180.0°180.0°
C27C26C23C240.5°0.0°
C27C26C23S22180.0°179.7°
C26C27C28H24179.7°180.0°
C28C29C24H25180.0°179.4°
C28C29C24C231.4°0.6°
C28C29C24N25178.7°179.7°
C29C28C27H23179.7°180.0°
C26C23C24C290.5°0.2°
C26C23C24S22179.6°179.8°
C26C23C24N25178.1°180.0°
C26C23S22C10178.3°179.7°
C23C26C27H23179.4°179.7°
C29C24C23N25177.5°179.8°
C29C24C23S22179.1°180.0°
C29C24N25C10178.2°179.8°
C24C29C28H24178.7°179.7°
C24C23S22C101.3°0.0°
C23C24N25C100.9°0.4°
C24C23C26H22179.5°180.0°
C23C24C29H25178.6°180.0°
S22C23C24N251.5°0.2°
C23S22C10N250.9°0.2°
C23S22C10C06179.1°180.0°
S22C23C26H220.0°0.3°
C24N25C10S220.2°0.4°
C24N25C10C06179.8°179.8°
N25C24C29H251.3°0.3°
S22C10N25C06179.9°179.7°
S22C10C06C0513.4°6.1°
S22C10C06C01166.4°173.8°
N25C10C06C05166.5°174.2°
N25C10C06C0113.7°5.9°
C10C06C05O090.1°0.0°
C10C06C05C01179.8°179.9°
C10C06C05N04179.8°180.0°
C10C06C01N070.8°0.2°
C10C06C01N02180.0°180.0°
O09C05C06N04179.7°180.0°
O09C05C06C01179.6°179.9°
O09C05N04C03179.9°180.0°
O09C05N04H10.1°0.1°
C05C06C01N07179.0°179.7°
C05C06C01N020.3°0.1°
C06C05N04C030.1°0.1°
C06C05N04H1179.9°179.9°
C01C06C05N040.1°0.0°
C06C01N07N02179.2°179.8°
C06C01N07C11165.0°174.8°
C06C01N02C030.3°0.1°
C06C01N07H272.2°5.3°
C05N04C03H1180.0°179.9°
C05N04C03N020.2°0.1°
C05N04C03N08180.0°179.9°
C01N07C11H2122.7°180.0°
C01N07C11C16176.4°155.2°
C01N07C11C1257.0°85.0°
N07C01N02C03179.0°179.7°
C01N07C11H363.8°35.1°
N07C11C16C12121.4°120.0°
N07C11C16H3120.4°120.1°
N07C11C16C15178.5°177.6°
C11N07C01N0215.7°5.1°
N07C11C12H3121.7°120.1°
N07C11C12N13171.5°179.1°
N07C11C12H468.1°60.9°
N07C11C12H551.1°59.1°
N07C11C16H1258.1°57.7°
N07C11C16H1361.2°62.5°
C11C16C15H12120.4°119.9°
C11C16C15H13120.4°119.9°
C16C11C12H3118.6°119.9°
C11C16C15C1455.3°57.7°
C16C11C12N1351.8°59.2°
C16C11N07H253.7°24.8°
C16C11C12H4172.2°179.2°
C16C11C12H568.6°60.8°
C11C16C15H10175.8°62.3°
C11C16C15H1165.1°177.6°
C11C16H12H13119.0°120.2°
C15C16C11C1257.1°57.6°
C16C15C14H10120.4°120.0°
C16C15C14H11120.5°119.9°
C16C15C14N1345.6°59.2°
C15C16C11H361.2°62.3°
C16C15C14H875.0°179.2°
C16C15C14H9166.2°60.7°
C16C15H10H11118.6°120.1°
C15C16H12H13118.9°120.2°
C01N02C03N040.0°0.0°
C01N02C03N08179.8°180.0°
N02C01N07H2107.0°174.9°
N04C03N02N08179.9°180.0°
N04C03N08C213.4°174.6°
N04C03N08C17142.3°5.6°
C11C12N13H4120.4°120.0°
C11C12N13H5120.4°120.0°
C11C12N13C1446.3°61.8°
C12C11N07H265.7°95.0°
C11C12H4H5118.7°120.0°
C11C12N13H675.0°62.3°
C12C11C16H1263.3°62.3°
C12C11C16H13177.4°177.5°
C15C14N13C1242.8°61.7°
C15C14N13H8120.6°120.0°
C15C14N13H9120.6°120.0°
C15C14N13H678.5°62.3°
C15C14H8H9118.1°120.0°
C14C15H10H11118.6°120.0°
C14C15C16H1265.0°62.2°
C14C15C16H13175.7°177.6°
N02C03N08C21176.5°5.4°
N02C03N08C1737.9°174.4°
N02C03N04H1179.8°179.9°
C03N08C21C17147.5°179.8°
C03N08C21C20161.9°129.4°
C03N08C17C18162.3°129.5°
N08C03N04H10.0°0.1°
C03N08C17H1442.1°9.7°
C03N08C17H1577.6°110.9°
C03N08C21H2078.0°110.8°
C03N08C21H2141.8°9.7°
C12N13C14H6121.3°124.1°
N13C12C11H366.8°60.8°
N13C12H4H5118.7°120.0°
C12N13C14H877.8°178.3°
C12N13C14H9163.5°58.2°
C14N13C12H4166.7°178.3°
C14N13C12H574.2°58.2°
N13C14H8H9118.1°120.0°
N13C14C15H10166.0°60.8°
N13C14C15H1174.9°179.1°
N08C21C20H20120.1°119.7°
N08C21C20H21120.2°119.7°
C21N08C17C1849.7°50.7°
N08C21C20O1956.4°52.5°
C21N08C17H14169.8°170.5°
C21N08C17H1570.4°68.9°
N08C21C20H18176.7°67.5°
N08C21C20H1963.9°172.4°
N08C21H20H21119.6°120.5°
C17N08C21C2050.6°50.8°
N08C17C18H14120.1°119.8°
N08C17C18H15120.2°119.6°
N08C17C18O1954.5°52.3°
N08C17H14H15119.6°120.5°
N08C17C18H1665.8°67.7°
N08C17C18H17174.9°172.2°
C17N08C21H2069.5°69.0°
C17N08C21H21170.8°170.5°
C21C20O19H18120.3°120.0°
C21C20O19H19120.3°119.9°
C21C20O19C1861.5°62.7°
C21C20H18H19119.1°120.1°
C20C21H20H21119.6°120.7°
C17C18O19C2060.6°62.6°
C17C18O19H16120.3°119.9°
C17C18O19H17120.3°119.9°
C18C17H14H15119.5°120.6°
C17C18H16H17119.0°120.1°
C20O19C18H1659.7°57.3°
C20O19C18H17179.0°177.5°
O19C20H18H19119.1°120.1°
O19C20C21H2063.8°67.2°
O19C20C21H21176.5°172.2°
O19C18C17H14174.7°172.0°
O19C18C17H1565.6°67.3°
O19C18H16H17119.0°120.1°
C18O19C20H18178.2°57.3°
C18O19C20H1958.8°177.4°
H2N07C11H3173.5°144.9°
H3C11C12H453.6°59.2°
H3C11C12H5172.7°179.2°
H3C11C16H12178.5°177.8°
H3C11C16H1359.2°57.6°
H4C12N13H645.4°57.6°
H5C12N13H6164.5°177.7°
H6N13C14H8160.9°57.6°
H6N13C14H942.2°177.7°
H8C14C15H1045.4°59.2°
H8C14C15H11164.5°60.9°
H9C14C15H1073.3°179.2°
H9C14C15H1145.8°59.2°
H10C15C16H1255.4°177.8°
H10C15C16H1363.9°57.6°
H11C15C16H12174.5°57.8°
H11C15C16H1355.3°62.5°
H14C17C18H1654.3°52.1°
H14C17C18H1765.0°68.0°
H15C17C18H16174.0°172.7°
H15C17C18H1754.7°52.6°
H18C20C21H2056.5°172.9°
H18C20C21H2163.2°52.2°
H19C20C21H20176.0°52.7°
H19C20C21H2156.3°67.9°
H22C26C27H230.6°0.4°
H23C27C28H240.3°0.4°
H24C28C29H251.3°0.3°

222415

PDB entries from 2024-07-10

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