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ERC

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C1N1sing1.34Å1.35Å
C1O1doub1.22Å1.25Å
C1C2sing1.41Å1.40Å
N1C5sing1.38Å1.34Å
S1C23sing1.81Å1.76Å
C2C3doub1.36Å1.40Å
N2C11sing1.47Å1.45Å
N2C12sing1.47Å1.45Å
O2C6sing1.36Å1.36Å
C3C4sing1.46Å1.39Å
O3C10sing1.43Å1.43Å
C4C5doub1.41Å1.49ÅAromatic
C4C9sing1.40Å1.49ÅAromatic
O4C18sing1.36Å1.37Å
O4C20sing1.43Å1.43Å
C5C6sing1.40Å1.49ÅAromatic
O5C17sing1.36Å1.37Å
O5C21sing1.43Å1.43Å
C6C7doub1.38Å1.40ÅAromatic
C7C8sing1.39Å1.40ÅAromatic
C8C9doub1.37Å1.40ÅAromatic
C9C10sing1.51Å1.48Å
C10C11sing1.53Å1.52Å
C12C13sing1.53Å1.52Å
C13C14sing1.51Å1.51Å
C14C15doub1.38Å1.40ÅAromatic
C14C19sing1.38Å1.39ÅAromatic
C15C16sing1.38Å1.40ÅAromatic
C16C17doub1.39Å1.40ÅAromatic
C17C18sing1.39Å1.39ÅAromatic
C18C19doub1.38Å1.40ÅAromatic
C21C22sing1.53Å1.53Å
C22C23sing1.53Å1.52Å
N1HN1sing0.97Å1.00Å
S1HS1sing1.35Å1.30Å
C2H2sing1.08Å1.08Å
N2HN2sing1.01Å1.00Å
O2HO2sing0.97Å0.95Å
C3H3sing1.08Å1.08Å
O3HO3sing0.97Å0.95Å
C7H7sing1.08Å1.08Å
C8H8sing1.08Å1.08Å
C10H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H11Asing1.09Å1.10Å
C12H12sing1.09Å1.10Å
C12H12Asing1.09Å1.10Å
C13H13sing1.09Å1.10Å
C13H13Asing1.09Å1.10Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C19H19sing1.08Å1.08Å
C20H20sing1.09Å1.10Å
C20H20Asing1.09Å1.10Å
C20H20Bsing1.09Å1.10Å
C21H21sing1.09Å1.10Å
C21H21Asing1.09Å1.10Å
C22H22sing1.09Å1.10Å
C22H22Asing1.09Å1.10Å
C23H23sing1.09Å1.10Å
C23H23Asing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N1C1O1119.3°119.2°
N1C1C2121.4°121.6°
C1N1C5121.0°120.9°
C1N1HN1119.5°119.6°
O1C1C2119.4°119.2°
C1C2C3120.9°120.3°
C1C2H2119.5°119.9°
N1C5C4119.7°119.7°
N1C5C6122.4°120.9°
C5N1HN1119.5°119.5°
S1C23C22110.2°109.5°
C23S1HS1102.0°103.0°
S1C23H23109.2°109.4°
S1C23H23A109.2°109.5°
C2C3C4118.5°118.6°
C3C2H2119.5°119.9°
C2C3H3120.8°120.7°
C11N2C12119.0°111.0°
N2C11C10110.5°109.5°
C11N2HN2106.4°111.0°
N2C11H11109.1°109.4°
N2C11H11A109.1°109.5°
N2C12C13112.2°109.4°
C12N2HN2106.4°111.0°
N2C12H12108.6°109.5°
N2C12H12A108.6°109.4°
O2C6C5120.3°120.2°
O2C6C7120.0°120.2°
C6O2HO2109.5°113.9°
C3C4C5118.5°118.9°
C3C4C9123.0°121.1°
C4C3H3120.8°120.7°
O3C10C9111.6°109.5°
O3C10C11109.6°109.4°
C10O3HO3109.5°114.0°
O3C10H10107.4°109.5°
C5C4C9118.4°119.9°
C4C5C6117.9°119.4°
C4C9C8119.2°119.8°
C4C9C10119.9°120.1°
C18O4C20119.4°117.0°
O4C18C17120.6°120.0°
O4C18C19119.3°120.1°
O4C20H20109.5°109.5°
O4C20H20A109.4°109.5°
O4C20H20B109.5°109.5°
C5C6C7119.7°119.6°
C17O5C21120.4°117.0°
O5C17C16119.5°120.1°
O5C17C18120.6°120.1°
O5C21C22109.6°109.5°
O5C21H21109.4°109.5°
O5C21H21A109.4°109.5°
C6C7C8122.3°120.7°
C6C7H7118.9°119.6°
C7C8C9122.5°120.6°
C8C7H7118.8°119.7°
C7C8H8118.8°119.7°
C8C9C10120.8°120.1°
C9C8H8118.8°119.6°
C9C10C11107.8°109.5°
C9C10H10109.2°109.5°
C11C10H10111.2°109.5°
C10C11H11109.2°109.5°
C10C11H11A109.1°109.5°
C12C13C14109.5°109.4°
C13C12H12108.6°109.5°
C13C12H12A108.6°109.5°
C12C13H13109.5°109.5°
C12C13H13A109.5°109.5°
C13C14C15120.3°119.9°
C13C14C19119.7°119.9°
C14C13H13109.4°109.5°
C14C13H13A109.5°109.5°
C15C14C19120.0°120.2°
C14C15C16119.9°120.2°
C14C15H15120.0°119.9°
C14C19C18120.0°120.0°
C14C19H19120.0°120.0°
C15C16C17120.1°120.0°
C16C15H15120.1°119.9°
C15C16H16119.9°120.0°
C16C17C18119.9°119.8°
C17C16H16120.0°120.0°
C17C18C19120.1°119.9°
C18C19H19120.0°120.0°
C21C22C23111.3°109.5°
C22C21H21109.4°109.5°
C22C21H21A109.4°109.5°
C21C22H22108.9°109.5°
C21C22H22A108.9°109.4°
C23C22H22108.9°109.5°
C23C22H22A108.9°109.4°
C22C23H23109.2°109.5°
C22C23H23A109.2°109.5°
H11C11H11A109.8°109.5°
H12C12H12A110.4°109.5°
H13C13H13A109.5°109.4°
H20C20H20A109.5°109.5°
H20C20H20B109.4°109.5°
H20AC20H20B109.5°109.4°
H21C21H21A109.5°109.4°
H22C22H22A110.0°109.5°
H23C23H23A109.7°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N1C1O1C2179.9°179.7°
C1N1C5HN1180.0°180.0°
N1C1C2C30.3°0.0°
C1N1C5C40.0°0.5°
C1N1C5C6180.0°180.0°
N1C1C2H2179.7°180.0°
O1C1N1C5180.0°180.0°
O1C1C2C3179.7°179.7°
O1C1N1HN10.0°0.0°
O1C1C2H20.4°0.3°
C2C1N1C50.1°0.3°
C1C2C3H2180.0°180.0°
C1C2C3C40.6°0.1°
C2C1N1HN1179.9°179.7°
C1C2C3H3179.4°179.9°
N1C5C6O20.0°0.1°
N1C5C4C30.4°0.5°
N1C5C4C6180.0°179.5°
N1C5C4C9179.1°179.7°
N1C5C6C7179.9°180.0°
S1C23C22C2170.0°180.0°
S1C23C22H23120.0°120.0°
S1C23C22H23A120.0°120.0°
S1C23C22H22170.0°60.0°
S1C23C22H22A50.0°60.1°
S1C23H23H23A119.7°120.0°
C2C3C4H3180.0°179.9°
C2C3C4C50.7°0.2°
C2C3C4C9179.3°180.0°
C11N2C12HN2120.0°124.0°
N2C11C10O374.0°60.0°
N2C11C10C9164.3°180.0°
N2C11C10H11120.0°119.9°
N2C11C10H11A120.0°120.0°
C11N2C12C13122.7°180.0°
N2C11C10H1044.6°59.9°
N2C11H11H11A119.6°120.0°
C11N2C12H122.7°60.0°
C11N2C12H12A117.3°60.1°
C12N2C11C10164.5°180.0°
N2C12C13H12120.0°120.0°
N2C12C13H12A120.0°119.9°
N2C12C13C14101.5°180.0°
C12N2C11H1144.5°60.0°
C12N2C11H11A75.5°60.0°
N2C12H12H12A118.9°120.0°
N2C12C13H1318.5°60.0°
N2C12C13H13A138.5°60.0°
O2C6C5C4180.0°179.4°
O2C6C5C7179.8°179.9°
O2C6C7C8179.6°179.9°
O2C6C7H70.4°0.1°
C3C4C5C9178.7°179.8°
C3C4C5C6179.7°180.0°
C3C4C9C8179.2°179.2°
C3C4C9C103.1°0.0°
C4C3C2H2179.4°179.9°
O3C10C9C4158.8°155.0°
O3C10C9C825.2°25.8°
O3C10C9C11120.4°119.9°
O3C10C9H10118.6°120.0°
O3C10C11H10118.6°120.0°
O3C10C11H11166.0°180.0°
O3C10C11H11A46.0°60.0°
C4C5C6C70.2°0.5°
C5C4C9C82.2°0.6°
C5C4C9C10178.3°179.8°
C4C5N1HN1180.0°179.5°
C5C4C3H3179.3°179.7°
C9C4C5C60.9°0.2°
C4C9C8C72.7°1.1°
C4C9C8C10176.1°179.2°
C4C9C10C1180.8°85.0°
C9C4C3H30.7°0.1°
C4C9C8H8177.3°179.7°
C4C9C10H1040.2°35.0°
O4C18C17O51.1°0.0°
O4C18C19C14179.6°179.7°
O4C18C17C16179.7°179.9°
O4C18C17C19179.4°179.8°
O4C18C19H190.4°0.1°
C18O4C20H20180.0°60.0°
C18O4C20H20A60.0°180.0°
C18O4C20H20B60.0°60.0°
C20O4C18C17104.4°180.0°
C20O4C18C1975.0°0.2°
O4C20H20H20A120.0°120.0°
O4C20H20H20B120.0°120.0°
O4C20H20AH20B120.0°120.0°
C5C6C7C80.6°0.0°
C6C5N1HN10.0°0.0°
C5C6O2HO2180.0°90.1°
C5C6C7H7179.4°179.9°
O5C17C16C15179.7°180.0°
O5C17C16C18179.2°180.0°
O5C17C18C19179.5°179.8°
C17O5C21C22104.0°180.0°
O5C17C16H160.3°0.0°
C17O5C21H21136.0°60.0°
C17O5C21H21A16.0°60.0°
C21O5C17C16106.6°0.0°
C21O5C17C1874.2°180.0°
O5C21C22H21120.0°120.0°
O5C21C22H21A120.0°120.0°
O5C21C22C2375.8°180.0°
O5C21H21H21A120.0°120.0°
O5C21C22H2244.2°60.0°
O5C21C22H22A164.2°60.0°
C6C7C8H7180.0°180.0°
C6C7C8C91.9°0.8°
C7C6O2HO20.2°90.0°
C6C7C8H8178.1°180.0°
C7C8C9H8180.0°179.2°
C7C8C9C10178.7°179.7°
C8C9C10C1195.2°94.2°
C9C8C7H7178.1°179.2°
C8C9C10H10143.8°145.8°
C9C10C11H10119.7°120.0°
C9C10O3HO3180.0°59.9°
C10C9C8H81.2°0.5°
C9C10C11H1144.3°60.1°
C9C10C11H11A75.7°60.0°
C10C11N2HN244.5°56.0°
C11C10O3HO360.6°60.1°
C10C11H11H11A119.6°120.1°
C12C13C14H13120.0°120.0°
C12C13C14H13A120.0°120.0°
C12C13C14C1559.1°90.0°
C12C13C14C19121.7°90.3°
C13C12N2HN2117.2°56.1°
C13C12H12H12A118.9°120.1°
C12C13H13H13A120.0°120.0°
C13C14C15C19179.2°179.7°
C13C14C15C16179.7°180.0°
C13C14C19C18179.4°179.8°
C14C13C12H12138.5°60.0°
C14C13C12H12A18.5°60.1°
C14C13H13H13A120.0°120.0°
C13C14C15H150.3°0.1°
C13C14C19H190.6°0.0°
C14C15C16H15180.0°179.9°
C14C15C16C170.6°0.1°
C15C14C19C180.2°0.6°
C15C14C13H13179.1°30.0°
C15C14C13H13A61.0°150.0°
C14C15C16H16179.4°180.0°
C15C14C19H19179.8°179.7°
C19C14C15C160.5°0.3°
C14C19C18C170.1°0.5°
C14C19C18H19180.0°179.8°
C19C14C13H131.7°149.7°
C19C14C13H13A118.3°29.7°
C19C14C15H15179.5°179.7°
C15C16C17H16180.0°180.0°
C15C16C17C180.6°0.0°
C16C17C18C190.3°0.3°
C17C16C15H15179.4°180.0°
C18C17C16H16179.4°180.0°
C17C18C19H19179.9°179.7°
C21C22C23H22120.0°120.0°
C21C22C23H22A120.0°119.9°
C22C21H21H21A119.9°120.0°
C21C22H22H22A119.2°120.0°
C21C22C23H23170.0°60.0°
C21C22C23H23A50.0°60.0°
C22C23S1HS1180.0°180.0°
C23C22C21H21164.2°60.0°
C23C22C21H21A44.2°60.0°
C23C22H22H22A119.3°120.0°
C22C23H23H23A119.7°120.1°
HS1S1C23H2360.0°60.0°
HS1S1C23H23A60.0°60.0°
H2C2C3H30.7°0.1°
HN2N2C11H1175.5°63.9°
HN2N2C11H11A164.5°176.1°
HN2N2C12H12122.7°176.0°
HN2N2C12H12A2.7°63.9°
HO3O3C10H1060.4°180.0°
H7C7C8H81.9°0.0°
H10C10C11H1175.4°60.0°
H10C10C11H11A164.6°180.0°
H12C12C13H13101.5°179.9°
H12C12C13H13A18.5°60.0°
H12AC12C13H13138.5°60.0°
H12AC12C13H13A101.5°179.9°
H15C15C16H160.7°0.0°
H20C20H20AH20B120.0°120.0°
H21C21C22H2275.8°180.0°
H21C21C22H22A44.2°60.0°
H21AC21C22H22164.2°60.0°
H21AC21C22H22A75.8°179.9°
H22C22C23H2350.0°60.0°
H22C22C23H23A70.0°180.0°
H22AC22C23H2370.0°180.0°
H22AC22C23H23A170.1°60.0°

222415

PDB entries from 2024-07-10

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