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A1AKO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O37S2doub1.42Å1.44Å
F33C31sing1.40Å1.33Å
O1S2doub1.42Å1.44Å
C36C35doub1.38Å1.38ÅAromatic
C36C27sing1.38Å1.39ÅAromatic
C35C30sing1.38Å1.39ÅAromatic
S2C27sing1.76Å1.76Å
S2N3sing1.66Å1.61Å
C27C28doub1.38Å1.39ÅAromatic
C26C24sing1.51Å1.49Å
C30C31sing1.51Å1.50Å
C30C29doub1.38Å1.39ÅAromatic
C31F34sing1.40Å1.33Å
C31F32sing1.40Å1.33Å
C28C29sing1.38Å1.38ÅAromatic
C24N25doub1.30Å1.33Å
C24N23sing1.34Å1.31Å
N23C4doub1.32Å1.36Å
N3C4sing1.37Å1.33Å
C4N5sing1.37Å1.38Å
N5N6sing1.39Å1.37Å
N5C22sing1.47Å1.46Å
N6C7doub1.29Å1.29Å
C22C15sing1.54Å1.54Å
C7C15sing1.51Å1.51Å
C7C8sing1.47Å1.47Å
C14C8doub1.40Å1.39ÅAromatic
C14C13sing1.38Å1.38ÅAromatic
C15C16sing1.51Å1.52Å
C8C9sing1.40Å1.39ÅAromatic
C13C11doub1.38Å1.38ÅAromatic
C16C17doub1.38Å1.39ÅAromatic
C16C21sing1.38Å1.39ÅAromatic
C9C10doub1.38Å1.38ÅAromatic
C17C18sing1.38Å1.38ÅAromatic
C11C10sing1.38Å1.38ÅAromatic
C11CL1sing1.74Å1.74Å
C21C20doub1.38Å1.38ÅAromatic
C18C19doub1.38Å1.38ÅAromatic
C20C19sing1.38Å1.38ÅAromatic
N3H1sing0.97Å1.00Å
C10H3sing1.08Å1.08Å
C13H4sing1.08Å1.08Å
C15H5sing1.09Å1.10Å
C17H6sing1.08Å1.08Å
C20H7sing1.08Å1.08Å
C21H8sing1.08Å1.08Å
C22H9sing1.09Å1.10Å
C22H10sing1.09Å1.10Å
C26H11sing1.09Å1.10Å
C26H12sing1.09Å1.10Å
C26H13sing1.09Å1.10Å
C28H14sing1.08Å1.08Å
C14H15sing1.08Å1.08Å
C18H16sing1.08Å1.08Å
C19H17sing1.08Å1.08Å
C29H18sing1.08Å1.08Å
C35H19sing1.08Å1.08Å
C36H20sing1.08Å1.08Å
C9H21sing1.08Å1.08Å
N25H22sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O37S2O1117.6°123.2°
O37S2C27107.9°106.4°
O37S2N3112.2°106.4°
F33C31C30112.5°109.5°
F33C31F34106.5°109.5°
F33C31F32105.6°109.5°
O1S2C27108.0°106.4°
O1S2N3111.1°106.4°
C35C36C27119.3°120.0°
C36C35C30121.0°120.0°
C36C35H19119.5°120.0°
C35C36H20120.3°120.0°
C36C27S2119.5°120.0°
C36C27C28120.7°120.0°
C27C36H20120.4°120.0°
C35C30C31120.4°120.1°
C35C30C29118.7°120.0°
C30C35H19119.5°119.9°
C27S2N398.1°107.2°
S2C27C28119.7°120.0°
S2N3C4124.4°120.0°
S2N3H1117.8°120.0°
C27C28C29119.3°120.0°
C27C28H14120.4°120.0°
C26C24N25116.5°120.0°
C26C24N23119.7°120.1°
C24C26H11109.5°109.5°
C24C26H12109.5°109.5°
C24C26H13109.5°109.5°
C31C30C29120.9°120.0°
C30C31F34112.7°109.5°
C30C31F32112.6°109.5°
C30C29C28121.0°120.0°
C30C29H18119.5°120.0°
F34C31F32106.4°109.5°
C29C28H14120.4°120.0°
C28C29H18119.5°120.0°
N25C24N23123.8°120.0°
C24N25H22112.0°120.0°
C24N23C4121.0°120.0°
N23C4N3121.7°120.0°
N23C4N5114.6°120.0°
N3C4N5123.7°120.0°
C4N3H1117.8°120.0°
C4N5N6123.6°125.6°
C4N5C22124.6°125.6°
N6N5C22111.7°108.9°
N5N6C7107.4°114.2°
N5C22C15102.7°103.6°
N5C22H9111.1°110.7°
N5C22H10111.1°110.8°
N6C7C15113.7°109.5°
N6C7C8121.1°125.3°
C22C15C7100.5°103.9°
C22C15C16112.9°110.5°
C22C15H5109.8°110.7°
C15C22H9111.1°110.6°
C15C22H10111.2°110.6°
C15C7C8125.2°125.2°
C7C15C16112.8°110.5°
C7C15H5110.3°110.5°
C7C8C14120.7°120.2°
C7C8C9120.5°120.1°
C8C14C13120.7°119.8°
C14C8C9118.7°119.7°
C8C14H15119.6°120.1°
C14C13C11119.2°120.2°
C14C13H4120.4°119.9°
C13C14H15119.6°120.1°
C15C16C17120.8°120.0°
C15C16C21120.6°120.0°
C16C15H5110.1°110.4°
C8C9C10120.8°119.8°
C8C9H21119.6°120.1°
C13C11C10121.3°120.3°
C13C11CL1119.4°119.9°
C11C13H4120.4°119.9°
C17C16C21118.6°120.0°
C16C17C18120.6°120.0°
C16C17H6119.7°120.0°
C16C21C20120.6°120.0°
C16C21H8119.7°120.0°
C9C10C11119.2°120.2°
C9C10H3120.4°119.9°
C10C9H21119.6°120.1°
C17C18C19120.2°120.0°
C18C17H6119.7°120.0°
C17C18H16119.9°120.0°
C10C11CL1119.3°119.8°
C11C10H3120.4°119.9°
C21C20C19120.2°120.0°
C21C20H7119.9°120.1°
C20C21H8119.7°120.0°
C18C19C20119.7°120.0°
C19C18H16119.9°120.0°
C18C19H17120.1°120.0°
C19C20H7119.9°120.0°
C20C19H17120.2°120.0°
H9C22H10109.5°110.5°
H11C26H12109.4°109.5°
H11C26H13109.4°109.4°
H12C26H13109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O37S2O1C27122.3°123.0°
O37S2O1N3131.2°122.9°
O37S2C27C367.9°23.4°
O37S2C27N3116.5°113.5°
O37S2C27C28176.5°156.5°
O37S2N3C460.0°48.6°
O37S2N3H1119.9°131.8°
F33C31C30C3556.9°150.0°
F33C31C30F34120.4°120.0°
F33C31C30F32119.2°120.0°
F33C31C30C29124.6°30.0°
F33C31F34F32112.3°120.0°
O1S2C27C36136.0°156.4°
O1S2C27N3115.4°113.5°
O1S2C27C2848.4°23.5°
O1S2N3C473.9°178.5°
O1S2N3H1106.1°1.1°
C35C36C27H20180.0°179.2°
C36C35C30H19180.0°179.4°
C35C36C27S2175.3°179.4°
C35C36C27C280.2°0.5°
C36C35C30C31178.5°179.4°
C36C35C30C290.1°0.5°
C27C36C35C300.1°0.8°
C36C27S2C28175.6°179.9°
C36C27S2N3108.6°90.0°
C36C27C28C290.3°0.1°
C36C27C28H14179.7°179.7°
C27C36C35H19180.0°179.8°
C35C30C31C29178.5°180.0°
C35C30C31F34177.3°90.0°
C35C30C31F3262.3°30.0°
C35C30C29C280.0°0.0°
C35C30C29H18179.9°180.0°
C30C35C36H20179.9°180.0°
S2C27C28C29175.3°180.0°
C27S2N3C4173.2°64.9°
C27S2N3H16.8°114.7°
S2C27C28H144.7°0.4°
S2C27C36H204.7°0.2°
N3S2C27C2867.0°90.1°
S2N3C4N231.0°0.3°
S2N3C4H1180.0°179.6°
S2N3C4N5179.6°179.7°
C27C28C29C300.1°0.3°
C27C28C29H14180.0°179.7°
C27C28C29H18179.9°179.7°
C28C27C36H20179.7°179.7°
C26C24N25N23179.9°179.9°
C26C24N23C4180.0°103.1°
C24C26H11H12120.0°120.0°
C24C26H11H13120.0°120.0°
C24C26H12H13120.0°120.0°
C26C24N25H22179.9°174.7°
C30C31F34F32123.9°120.0°
C31C30C29C28178.5°180.0°
C31C30C29H181.5°0.1°
C31C30C35H191.5°0.0°
C29C30C31F344.2°90.0°
C29C30C31F32116.2°150.0°
C30C29C28H18180.0°179.9°
C30C29C28H14179.9°180.0°
C29C30C35H19179.9°180.0°
N25C24N23C40.1°76.9°
N25C24C26H11180.0°0.1°
N25C24C26H1260.0°120.0°
N25C24C26H1360.0°120.0°
C24N23C4N391.8°172.5°
C24N23C4N589.4°7.5°
N23C24C26H110.1°180.0°
N23C24C26H12120.0°59.9°
N23C24C26H13119.9°60.0°
N23C24N25H220.0°5.3°
N23C4N3N5178.7°180.0°
N23C4N5N67.2°174.2°
N23C4N5C22175.7°5.3°
N23C4N3H1179.1°180.0°
N3C4N5N6174.0°5.8°
N3C4N5C223.0°174.6°
C4N5N6C22177.4°179.6°
C4N5N6C7155.8°180.0°
C4N5C22C15162.0°179.8°
N5C4N3H10.4°0.1°
C4N5C22H979.1°61.7°
C4N5C22H1043.0°61.3°
N6N5C22C1515.4°0.2°
N5N6C7C1518.6°0.4°
N5N6C7C8159.4°179.9°
N6N5C22H9103.5°118.7°
N6N5C22H10134.3°118.3°
C22N5N6C721.6°0.4°
N5C22C15H9118.9°118.6°
N5C22C15H10118.9°118.7°
N5C22C15C74.2°0.0°
N5C22C15C16124.6°118.6°
N5C22C15H5112.1°118.7°
N5C22H9H10123.1°123.1°
N6C7C15C228.6°0.2°
N6C7C15C8177.9°179.8°
N6C7C8C1411.0°180.0°
N6C7C15C16111.9°118.4°
N6C7C8C9169.1°0.3°
N6C7C15H5124.5°119.0°
C22C15C7C16120.5°118.6°
C22C15C7H5115.9°118.8°
C22C15C7C8169.3°180.0°
C22C15C16H5123.2°122.9°
C22C15C16C1775.0°124.1°
C22C15C16C21105.3°56.0°
C15C22H9H10123.2°122.8°
C15C7C8C14171.3°0.3°
C7C15C16H5123.7°122.6°
C15C7C8C98.6°180.0°
C7C15C16C1738.2°121.4°
C7C15C16C21141.5°58.5°
C7C15C22H9114.7°118.6°
C7C15C22H10123.1°118.7°
C7C8C14C9179.9°179.7°
C7C8C14C13180.0°180.0°
C8C7C15C1670.2°61.4°
C7C8C9C10180.0°180.0°
C8C7C15H553.4°61.2°
C7C8C14H150.0°0.0°
C7C8C9H210.0°0.0°
C8C14C13H15180.0°180.0°
C8C14C13C110.1°0.1°
C14C8C9C100.1°0.2°
C8C14C13H4179.9°179.8°
C14C8C9H21179.9°179.7°
C13C14C8C90.1°0.2°
C14C13C11H4180.0°179.7°
C14C13C11C100.0°0.3°
C14C13C11CL1179.9°179.7°
C15C16C17C21179.7°180.0°
C15C16C17C18179.6°180.0°
C15C16C21C20179.6°179.5°
C15C16C17H60.4°0.3°
C15C16C21H80.4°0.3°
C16C15C22H95.7°122.8°
C16C15C22H10116.5°0.1°
C8C9C10H21180.0°180.0°
C8C9C10C110.1°0.0°
C8C9C10H3179.9°180.0°
C9C8C14H15179.9°179.7°
C13C11C10C90.0°0.3°
C13C11C10CL1179.9°179.9°
C13C11C10H3180.0°179.7°
C11C13C14H15179.9°180.0°
C16C17C18H6180.0°179.6°
C17C16C21C200.1°0.5°
C16C17C18C190.0°0.3°
C17C16C15H5161.9°1.2°
C17C16C21H8179.9°179.7°
C16C17C18H16180.0°179.7°
C21C16C17C180.1°0.1°
C16C21C20H8180.0°179.2°
C16C21C20C190.1°0.8°
C21C16C15H517.9°178.8°
C21C16C17H6179.9°179.7°
C16C21C20H7179.9°179.7°
C9C10C11H3180.0°180.0°
C9C10C11CL1179.9°179.8°
C17C18C19H16180.0°180.0°
C17C18C19C200.0°0.0°
C17C18C19H17180.0°179.4°
C10C11C13H4180.0°180.0°
C11C10C9H21179.9°180.0°
CL1C11C10H30.1°0.2°
CL1C11C13H40.1°0.0°
C21C20C19C180.0°0.6°
C21C20C19H7180.0°179.5°
C21C20C19H17180.0°180.0°
C18C19C20H17180.0°179.4°
C19C18C17H6180.0°179.9°
C18C19C20H7180.0°180.0°
C19C20C21H8179.9°180.0°
C20C19C18H16180.0°180.0°
H3C10C9H210.1°0.0°
H4C13C14H150.1°0.3°
H5C15C22H9129.0°0.1°
H5C15C22H106.9°122.6°
H6C17C18H160.0°0.1°
H7C20C21H80.1°0.5°
H7C20C19H170.0°0.5°
H11C26H12H13120.0°120.0°
H14C28C29H180.1°0.1°
H16C18C19H170.1°0.6°
H19C35C36H200.1°0.5°

248942

PDB entries from 2026-02-11

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