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1VS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C11C12sing1.53Å1.52Å
C12N01sing1.46Å1.45Å
N01C10sing1.35Å1.38Å
C05C06doub1.38Å1.40ÅAromatic
C05C04sing1.38Å1.39ÅAromatic
C06C01sing1.39Å1.40ÅAromatic
C04C03doub1.38Å1.39ÅAromatic
C01C08sing1.48Å1.46Å
C01C02doub1.39Å1.40ÅAromatic
C07C08doub1.34Å1.39ÅAromatic
C07Ssing1.75Å1.71ÅAromatic
C08C09sing1.45Å1.44ÅAromatic
C09C15doub1.37Å1.38ÅAromatic
C09C10sing1.46Å1.46Å
C15N02sing1.39Å1.38Å
C15Ssing1.70Å1.72ÅAromatic
N02C13sing1.35Å1.37Å
C10O3doub1.22Å1.23Å
C03C02sing1.38Å1.40ÅAromatic
C1C13sing1.51Å1.51Å
C1N12sing1.47Å1.47Å
C22C21doub1.39Å1.39ÅAromatic
C22Csing1.38Å1.39ÅAromatic
C13O11doub1.21Å1.22Å
C21C20sing1.37Å1.40ÅAromatic
CC16doub1.39Å1.39ÅAromatic
C14N12sing1.47Å1.47Å
C14C23sing1.53Å1.53Å
C20C17doub1.40Å1.42ÅAromatic
C16C17sing1.41Å1.40ÅAromatic
C16Nsing1.38Å1.37ÅAromatic
C17C18sing1.47Å1.44ÅAromatic
NC19sing1.37Å1.37ÅAromatic
C18C19doub1.34Å1.39ÅAromatic
C18C23sing1.51Å1.51Å
C02H1sing1.08Å1.08Å
C03H2sing1.08Å1.08Å
C04H3sing1.08Å1.08Å
C05H4sing1.08Å1.08Å
C06H5sing1.08Å1.08Å
C07H6sing1.08Å1.08Å
N01H7sing0.97Å1.00Å
C12H8sing1.09Å1.10Å
C12H9sing1.09Å1.10Å
C11H10sing1.09Å1.10Å
C11H11sing1.09Å1.10Å
C11H12sing1.09Å1.10Å
N02H13sing0.97Å1.00Å
C1H14sing1.09Å1.10Å
C1H15sing1.09Å1.10Å
N12H16sing1.01Å1.00Å
C14H18sing1.09Å1.10Å
C14H19sing1.09Å1.10Å
C23H20sing1.09Å1.10Å
C23H21sing1.09Å1.10Å
C19H22sing1.08Å1.08Å
NH23sing0.97Å1.00Å
C20H24sing1.08Å1.08Å
C21H25sing1.08Å1.08Å
C22H26sing1.08Å1.08Å
CH27sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C11C12N01111.3°109.5°
C11C12H8109.0°109.5°
C11C12H9109.0°109.5°
C12C11H10109.5°109.5°
C12C11H11109.5°109.5°
C12C11H12109.5°109.5°
C12N01C10119.6°120.0°
C12N01H7120.2°120.0°
N01C12H8109.0°109.5°
N01C12H9109.0°109.5°
N01C10C09115.2°120.0°
N01C10O3123.8°120.0°
C10N01H7120.2°120.0°
C06C05C04118.4°120.2°
C05C06C01121.8°119.9°
C06C05H4120.8°120.0°
C05C06H5119.1°120.1°
C05C04C03120.8°120.3°
C05C04H3119.6°119.9°
C04C05H4120.8°119.8°
C06C01C08119.5°120.1°
C06C01C02119.0°119.8°
C01C06H5119.1°120.1°
C04C03C02120.5°120.1°
C04C03H2119.7°120.0°
C03C04H3119.6°119.8°
C08C01C02121.5°120.1°
C01C08C07121.3°123.6°
C01C08C09127.2°123.6°
C01C02C03119.5°119.8°
C01C02H1120.3°120.1°
C08C07S113.3°110.7°
C07C08C09111.5°112.8°
C08C07H6123.3°124.6°
C07SC1590.5°92.7°
SC07H6123.4°124.7°
C08C09C15110.7°112.8°
C08C09C10124.4°123.6°
C15C09C10124.9°123.6°
C09C15N02127.2°124.5°
C09C15S114.0°111.0°
C09C10O3120.9°120.0°
N02C15S118.8°124.5°
C15N02C13121.2°120.0°
C15N02H13119.4°120.0°
N02C13C1115.6°120.0°
N02C13O11125.1°120.0°
C13N02H13119.4°120.0°
C03C02H1120.2°120.0°
C02C03H2119.7°119.9°
C13C1N12108.9°109.4°
C1C13O11119.2°120.0°
C13C1H14109.6°109.5°
C13C1H15109.6°109.5°
C1N12C14114.5°111.0°
N12C1H14109.6°109.5°
N12C1H15109.6°109.4°
C1N12H16108.2°111.0°
C21C22C123.0°120.6°
C22C21C20119.3°120.6°
C22C21H25120.4°119.7°
C21C22H26118.5°119.7°
C22CC16116.8°119.8°
CC22H26118.5°119.7°
C22CH27121.6°120.1°
C21C20C17119.7°119.8°
C21C20H24120.2°120.2°
C20C21H25120.4°119.7°
CC16C17122.8°119.4°
CC16N129.7°133.5°
C16CH27121.6°120.1°
N12C14C23108.6°109.5°
C14N12H16108.2°111.0°
N12C14H18109.7°109.5°
N12C14H19109.7°109.5°
C14C23C18114.2°109.5°
C23C14H18109.7°109.4°
C23C14H19109.7°109.5°
C14C23H20108.3°109.4°
C14C23H21108.3°109.4°
C20C17C16118.5°119.9°
C20C17C18134.1°134.1°
C17C20H24120.2°120.1°
C17C16N107.5°107.1°
C16C17C18107.4°106.0°
C16NC19110.3°109.9°
C16NH23124.8°125.1°
C17C18C19106.5°107.0°
C17C18C23126.8°126.5°
NC19C18108.3°109.9°
NC19H22125.8°125.0°
C19NH23124.8°125.1°
C19C18C23126.8°126.5°
C18C19H22125.9°125.0°
C18C23H20108.3°109.5°
C18C23H21108.3°109.5°
H8C12H9109.5°109.4°
H10C11H11109.5°109.5°
H10C11H12109.5°109.4°
H11C11H12109.5°109.5°
H14C1H15109.5°109.5°
H18C14H19109.4°109.5°
H20C23H21109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
C11C12N01H8120.2°120.0°
C11C12N01H9120.3°120.0°
C11C12N01C1080.2°180.0°
C11C12N01H799.8°0.0°
C11C12H8H9119.2°120.0°
C12C11H10H11120.0°120.0°
C12C11H10H12120.0°120.0°
C12C11H11H12120.0°120.0°
C12N01C10H7180.0°180.0°
C12N01C10C09179.0°180.0°
C12N01C10O32.1°0.0°
N01C12H8H9119.2°120.0°
N01C12C11H10180.0°60.0°
N01C12C11H1160.0°180.0°
N01C12C11H1260.0°60.0°
N01C10C09C08127.5°90.0°
N01C10C09C1552.7°90.0°
N01C10C09O3178.9°180.0°
C10N01C12H840.1°60.0°
C10N01C12H9159.5°60.0°
C06C05C04H4180.0°179.5°
C05C06C01H5180.0°179.5°
C06C05C04C030.2°0.3°
C05C06C01C08179.9°179.8°
C05C06C01C021.0°0.5°
C06C05C04H3179.8°179.8°
C04C05C06C010.6°0.5°
C05C04C03H3180.0°180.0°
C05C04C03C020.1°0.1°
C05C04C03H2179.9°179.9°
C04C05C06H5179.4°180.0°
C06C01C08C02178.8°179.7°
C06C01C08C07136.6°129.8°
C06C01C08C0941.6°50.3°
C06C01C02C031.0°0.2°
C06C01C02H1179.0°179.7°
C01C06C05H4179.4°180.0°
C04C03C02C010.5°0.1°
C04C03C02H2180.0°179.9°
C04C03C02H1179.4°180.0°
C03C04C05H4179.8°179.7°
C01C08C07C09178.5°179.9°
C01C08C07S179.4°180.0°
C01C08C09C15178.4°180.0°
C01C08C09C101.8°0.0°
C08C01C02C03179.8°179.9°
C08C01C02H10.2°0.0°
C08C01C06H50.1°0.3°
C01C08C07H60.6°0.0°
C02C01C08C0742.2°49.9°
C02C01C08C09139.6°130.0°
C01C02C03H1180.0°180.0°
C01C02C03H2179.5°179.9°
C02C01C06H5179.0°180.0°
C08C07SH6180.0°180.0°
C07C08C09C150.0°0.0°
C07C08C09C10179.8°180.0°
C08C07SC151.2°0.0°
SC07C08C090.9°0.0°
C07SC15C091.2°0.0°
C07SC15N02179.5°179.9°
C08C09C15C10179.8°180.0°
C08C09C15N02179.9°179.9°
C08C09C15S0.9°0.0°
C08C09C10O353.6°90.0°
C09C08C07H6179.1°180.0°
C09C15N02S179.2°179.9°
C09C15N02C1358.4°180.0°
C15C09C10O3126.2°90.0°
C09C15N02H13121.5°0.1°
C10C09C15N020.3°0.1°
C10C09C15S178.9°180.0°
C09C10N01H71.0°0.0°
C15N02C13H13180.0°180.0°
C15N02C13C1176.6°180.0°
C15N02C13O116.0°0.0°
SC15N02C13120.8°0.0°
C15SC07H6178.8°180.0°
SC15N02H1359.2°180.0°
N02C13C1O11177.5°179.9°
N02C13C1N12166.6°180.0°
N02C13C1H1446.7°60.0°
N02C13C1H1573.5°60.1°
O3C10N01H7177.9°180.0°
C02C03C04H3179.9°179.9°
C13C1N12H14119.9°120.0°
C13C1N12H15119.9°120.0°
C13C1N12C1480.3°180.0°
C1C13N02H133.4°0.0°
C13C1H14H15120.3°120.0°
C13C1N12H16158.9°56.0°
N12C1C13O1115.9°0.1°
C1N12C14H16120.8°124.0°
C1N12C14C23176.9°180.0°
N12C1H14H15120.2°120.0°
C1N12C14H1857.0°60.0°
C1N12C14H1963.2°60.0°
C21C22CH26180.0°179.8°
C22C21C20H25180.0°180.0°
C21C22CC160.1°0.4°
C22C21C20C170.9°0.0°
C22C21C20H24179.1°180.0°
C21C22CH27179.9°179.9°
CC22C21C200.7°0.2°
C22CC16H27180.0°179.6°
C22CC16C170.7°0.4°
C22CC16N179.8°179.8°
CC22C21H25179.3°179.8°
O11C13N02H13174.0°179.9°
O11C13C1H14135.8°119.9°
O11C13C1H15104.0°120.0°
C21C20C17H24180.0°180.0°
C21C20C17C160.4°0.0°
C21C20C17C18179.7°180.0°
C20C21C22H26179.3°180.0°
CC16C17C200.4°0.2°
CC16C17N179.6°179.8°
CC16C17C18179.5°179.8°
CC16NC19179.1°179.8°
CC16NH230.9°0.3°
C16CC22H26179.9°179.8°
N12C14C23H18119.9°120.0°
N12C14C23H19119.9°120.0°
N12C14C23C18172.3°180.0°
C14N12C1H1439.6°60.0°
C14N12C1H15159.8°60.0°
N12C14H18H19120.4°120.0°
N12C14C23H2067.0°60.0°
N12C14C23H2151.6°60.0°
C14C23C18C17101.9°85.0°
C14C23C18C1978.3°95.0°
C14C23C18H20120.7°120.0°
C14C23C18H21120.7°120.0°
C23C14N12H1662.3°56.0°
C23C14H18H19120.4°120.0°
C14C23H20H21117.8°119.9°
C20C17C16C18180.0°180.0°
C20C17C16N180.0°180.0°
C20C17C18C19179.6°180.0°
C20C17C18C230.2°0.0°
C17C20C21H25179.1°180.0°
C17C16NC190.5°0.0°
C16C17C18C190.3°0.1°
C16C17C18C23179.8°179.9°
C17C16NH23179.5°179.9°
C16C17C20H24179.6°180.0°
C17C16CH27179.4°180.0°
NC16C17C180.1°0.0°
C16NC19H23180.0°179.9°
C16NC19C180.7°0.0°
C16NC19H22179.3°180.0°
NC16CH270.2°0.2°
C17C18C19N0.6°0.1°
C17C18C19C23179.9°180.0°
C17C18C23H2018.8°35.0°
C17C18C23H21137.4°155.0°
C17C18C19H22179.4°180.0°
C18C17C20H240.3°0.0°
NC19C18H22180.0°179.9°
NC19C18C23179.5°179.9°
C19C18C23H20161.0°145.0°
C19C18C23H2142.4°25.0°
C18C19NH23179.3°180.0°
C18C23C14H1852.4°60.0°
C18C23C14H1967.8°60.0°
C18C23H20H21117.8°120.0°
C23C18C19H220.4°0.0°
H1C02C03H20.6°0.1°
H2C03C04H30.1°0.1°
H3C04C05H40.2°0.3°
H4C05C06H50.7°0.5°
H7N01C12H8139.9°120.0°
H7N01C12H920.4°120.0°
H8C12C11H1059.7°60.1°
H8C12C11H1160.3°60.0°
H8C12C11H12179.7°180.0°
H9C12C11H1059.8°180.0°
H9C12C11H11179.7°60.0°
H9C12C11H1260.3°60.1°
H10C11H11H12120.0°120.0°
H14C1N12H1681.1°176.0°
H15C1N12H1639.0°64.0°
H16N12C14H18177.8°176.0°
H16N12C14H1957.6°64.0°
H18C14C23H20173.1°180.0°
H18C14C23H2168.3°60.0°
H19C14C23H2052.9°60.1°
H19C14C23H21171.5°180.0°
H22C19NH230.7°0.1°
H24C20C21H250.9°0.0°
H25C21C22H260.7°0.0°
H26C22CH270.1°0.1°

222415

PDB entries from 2024-07-10

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