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2HB

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O29S3doub1.42Å1.43Å
C2S3sing1.82Å1.66Å
C2C1sing1.53Å1.53Å
O30S3doub1.42Å1.43Å
S3C4sing1.82Å1.67Å
C1N6sing1.47Å1.47Å
C4C5sing1.53Å1.53Å
C5N6sing1.46Å1.47Å
N6C7sing1.47Å1.47Å
C7C8sing1.51Å1.52Å
C13C8doub1.38Å1.40ÅAromatic
C13C12sing1.38Å1.40ÅAromatic
C8C9sing1.38Å1.40ÅAromatic
C12C11doub1.40Å1.40ÅAromatic
C9C10doub1.38Å1.39ÅAromatic
C11C10sing1.40Å1.40ÅAromatic
C11C14sing1.48Å1.48Å
O25C24doub1.21Å1.23Å
C14C15doub1.37Å1.40ÅAromatic
C14N19sing1.37Å1.35ÅAromatic
C15C16sing1.40Å1.39ÅAromatic
N20N19sing1.40Å1.41ÅAromatic
N20C21doub1.32Å1.35ÅAromatic
N19C18sing1.37Å1.33ÅAromatic
C28C27sing1.53Å1.52Å
C28C26sing1.53Å1.53Å
C24C26sing1.51Å1.52Å
C24N23sing1.35Å1.34Å
C27C26sing1.53Å1.53Å
C16C17doub1.36Å1.39ÅAromatic
C21N23sing1.40Å1.35Å
C21N22sing1.33Å1.35ÅAromatic
C18C17sing1.41Å1.39ÅAromatic
C18N22doub1.33Å1.36ÅAromatic
C5H1sing1.09Å1.10Å
C5H2sing1.09Å1.10Å
C2H3sing1.09Å1.10Å
C2H4sing1.09Å1.10Å
C4H5sing1.09Å1.10Å
C4H6sing1.09Å1.10Å
C1H7sing1.09Å1.10Å
C1H8sing1.09Å1.10Å
C7H9sing1.09Å1.10Å
C7H10sing1.09Å1.10Å
C9H11sing1.08Å1.08Å
C10H12sing1.08Å1.08Å
C12H13sing1.08Å1.08Å
C13H14sing1.08Å1.08Å
C15H15sing1.08Å1.08Å
C16H16sing1.08Å1.08Å
C17H17sing1.08Å1.08Å
C26H18sing1.09Å1.10Å
C27H19sing1.09Å1.10Å
C27H20sing1.09Å1.10Å
C28H21sing1.09Å1.10Å
C28H22sing1.09Å1.10Å
N23H24sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O29S3C2106.6°108.7°
O29S3O30109.5°119.5°
O29S3C4110.2°108.7°
S3C2C1112.1°108.7°
C2S3O30110.9°108.7°
C2S3C4109.5°101.0°
S3C2H3108.8°109.6°
S3C2H4108.8°109.6°
C2C1N6109.6°109.9°
C1C2H3108.8°109.7°
C1C2H4108.8°109.6°
C2C1H7109.4°109.4°
C2C1H8109.4°109.4°
O30S3C4110.1°108.7°
S3C4C5109.9°108.7°
S3C4H5109.4°109.6°
S3C4H6109.3°109.8°
C1N6C5123.0°112.5°
C1N6C7117.6°111.0°
N6C1H7109.4°109.4°
N6C1H8109.4°109.3°
C4C5N6107.4°109.9°
C4C5H1110.0°109.4°
C4C5H2110.0°109.3°
C5C4H5109.3°109.6°
C5C4H6109.4°109.6°
C5N6C7119.4°111.0°
N6C5H1110.0°109.4°
N6C5H2110.0°109.4°
N6C7C8108.4°109.5°
N6C7H9109.7°109.5°
N6C7H10109.7°109.5°
C7C8C13120.5°119.9°
C7C8C9118.4°119.9°
C8C7H9109.7°109.5°
C8C7H10109.7°109.5°
C8C13C12119.5°120.2°
C13C8C9121.1°120.3°
C8C13H14120.2°119.9°
C13C12C11119.3°119.9°
C13C12H13120.3°120.1°
C12C13H14120.3°119.9°
C8C9C10119.5°120.2°
C8C9H11120.3°119.9°
C12C11C10120.9°119.7°
C12C11C14122.1°120.2°
C11C12H13120.4°120.0°
C9C10C11119.6°119.8°
C10C9H11120.2°119.9°
C9C10H12120.2°120.1°
C10C11C14116.9°120.1°
C11C10H12120.2°120.1°
C11C14C15119.3°119.9°
C11C14N19120.4°119.8°
O25C24C26121.7°120.0°
O25C24N23124.7°120.0°
C15C14N19120.3°120.3°
C14C15C16119.0°120.1°
C14C15H15120.5°120.0°
C14N19N20124.3°133.1°
C14N19C18121.5°120.5°
C15C16C17119.0°119.7°
C16C15H15120.5°119.9°
C15C16H16120.5°120.1°
N19N20C2198.6°107.0°
N20N19C18114.2°106.4°
N20C21N23125.4°125.2°
N20C21N22115.2°109.5°
N19C18C17120.6°119.8°
N19C18N22106.0°107.5°
C27C28C2660.3°60.0°
C28C27C2660.0°60.0°
C28C27H19120.0°117.5°
C28C27H20120.0°117.5°
C27C28H21120.0°117.5°
C27C28H22120.0°117.5°
C28C26C24114.0°117.5°
C28C26C2759.8°60.0°
C28C26H18119.0°117.5°
C26C28H21120.0°117.5°
C26C28H22119.9°117.5°
C26C24N23113.6°120.0°
C24C26C27112.0°117.5°
C24C26H18119.2°115.5°
C24N23C21128.3°120.0°
C24N23H24115.8°120.0°
C27C26H18118.9°117.5°
C26C27H19120.0°117.5°
C26C27H20120.0°117.5°
C16C17C18119.6°119.5°
C17C16H16120.5°120.1°
C16C17H17120.2°120.2°
N23C21N22119.4°125.3°
C21N23H24115.9°120.0°
C21N22C18106.0°109.6°
C17C18N22133.4°132.7°
C18C17H17120.2°120.3°
H1C5H2109.5°109.4°
H3C2H4109.5°109.7°
H5C4H6109.5°109.6°
H7C1H8109.4°109.4°
H9C7H10109.5°109.5°
H19C27H20109.5°115.6°
H21C28H22109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O29S3C2O30119.2°131.6°
O29S3C2C4119.2°114.2°
O29S3C2C1154.7°61.8°
O29S3O30C4121.3°125.4°
O29S3C4C594.0°61.9°
O29S3C2H334.3°178.3°
O29S3C2H484.9°57.9°
O29S3C4H5146.0°57.8°
O29S3C4H626.1°178.2°
S3C2C1H3120.4°119.8°
S3C2C1H4120.4°119.7°
C2S3O30C4121.3°109.1°
S3C2C1N655.2°62.7°
C2S3C4C523.0°52.3°
S3C2H3H4118.8°120.4°
C2S3C4H597.0°172.1°
C2S3C4H6143.1°67.5°
S3C2C1H7175.3°57.4°
S3C2C1H864.8°177.3°
C1C2S3O3086.2°166.6°
C1C2S3C435.5°52.4°
C2C1N6H7120.0°120.1°
C2C1N6H8120.0°120.1°
C2C1N6C514.3°71.9°
C2C1N6C7166.8°163.0°
C1C2H3H4118.8°120.4°
C2C1H7H8119.9°119.9°
O30S3C4C5145.1°166.6°
O30S3C2H3153.5°46.7°
O30S3C2H434.2°73.7°
O30S3C4H525.1°73.7°
O30S3C4H694.8°46.7°
S3C4C5H5120.1°119.7°
S3C4C5H6120.0°120.0°
S3C4C5N662.1°62.6°
S3C4C5H1178.2°177.2°
S3C4C5H257.5°57.4°
C4S3C2H384.9°67.5°
C4S3C2H4155.9°172.1°
S3C4H5H6119.8°120.5°
C1N6C5C446.3°71.9°
C1N6C5C7178.9°125.0°
C1N6C7C870.5°44.2°
C1N6C5H1166.0°167.9°
C1N6C5H273.3°48.1°
N6C1C2H365.2°57.2°
N6C1C2H4175.6°177.6°
N6C1H7H8119.9°119.7°
C1N6C7H9169.6°75.8°
C1N6C7H1049.3°164.1°
C4C5N6H1119.7°120.2°
C4C5N6H2119.7°120.0°
C4C5N6C7132.6°163.0°
C4C5H1H2121.0°119.7°
C5C4H5H6119.8°120.3°
C5N6C7C8108.4°170.0°
N6C5H1H2120.9°119.8°
N6C5C4H557.9°177.6°
N6C5C4H6177.8°57.3°
C5N6C1H7134.3°48.2°
C5N6C1H8105.7°167.9°
C5N6C7H911.4°50.0°
C5N6C7H10131.7°70.0°
N6C7C8H9119.9°120.0°
N6C7C8H10119.8°120.0°
N6C7C8C1386.7°90.3°
N6C7C8C992.4°90.0°
C7N6C5H112.9°42.8°
C7N6C5H2107.8°77.0°
C7N6C1H746.8°76.9°
C7N6C1H873.2°42.9°
N6C7H9H10120.4°120.0°
C7C8C13C9179.0°179.8°
C7C8C13C12179.5°179.7°
C7C8C9C10179.5°180.0°
C8C7H9H10120.5°120.0°
C7C8C9H110.5°0.0°
C7C8C13H140.5°0.2°
C8C13C12H14180.0°179.5°
C8C13C12C110.7°0.5°
C13C8C9C100.5°0.3°
C13C8C7H9153.5°29.8°
C13C8C7H1033.1°149.8°
C13C8C9H11179.5°179.8°
C8C13C12H13179.3°179.7°
C12C13C8C90.5°0.5°
C13C12C11H13180.0°179.8°
C13C12C11C100.9°0.2°
C13C12C11C14178.2°179.8°
C8C9C10H11180.0°179.9°
C8C9C10C110.7°0.1°
C9C8C7H927.5°150.0°
C9C8C7H10147.8°30.0°
C8C9C10H12179.3°180.0°
C9C8C13H14179.5°180.0°
C12C11C10C90.8°0.0°
C12C11C10C14177.5°180.0°
C12C11C14C15133.4°115.0°
C12C11C14N1950.1°64.7°
C12C11C10H12179.1°180.0°
C11C12C13H14179.3°180.0°
C9C10C11H12180.0°179.9°
C9C10C11C14178.3°180.0°
C10C11C14C1549.2°65.0°
C10C11C14N19127.3°115.3°
C11C10C9H11179.4°180.0°
C10C11C12H13179.1°180.0°
C11C14C15N19176.5°179.8°
C11C14C15C16177.9°180.0°
C11C14N19N202.8°0.0°
C11C14N19C18178.1°179.7°
C14C11C10H121.6°0.0°
C14C11C12H131.8°0.0°
C11C14C15H152.1°0.0°
O25C24C26C2850.0°68.8°
O25C24C26N23179.4°180.0°
O25C24C26C2715.5°0.1°
O25C24N23C212.9°0.1°
O25C24C26H18160.9°145.6°
O25C24N23H24177.1°180.0°
C14C15C16H15180.0°180.0°
C15C14N19N20179.3°179.8°
C15C14N19C181.6°0.5°
C14C15C16C170.2°0.0°
C14C15C16H16179.8°180.0°
N19C14C15C161.4°0.3°
C14N19N20C18179.2°179.7°
C14N19N20C21178.3°180.0°
C14N19C18C170.6°0.6°
C14N19C18N22178.7°179.6°
N19C14C15H15178.6°179.7°
C15C16C17H16180.0°180.0°
C15C16C17C180.8°0.1°
C15C16C17H17179.2°180.0°
N19N20C21N23179.0°179.9°
N19N20C21N221.0°0.6°
N20N19C18C17179.8°179.7°
N20N19C18N220.5°0.1°
C21N20N19C180.9°0.3°
N20C21N23C2418.3°179.2°
N20C21N23N22178.0°179.1°
N20C21N22C180.8°0.7°
N20C21N23H24161.7°0.9°
N19C18C17C160.6°0.3°
N19C18N22C210.1°0.5°
N19C18C17N22179.1°179.7°
N19C18C17H17179.4°179.8°
C27C28C26H21109.5°107.5°
C27C28C26H22109.6°107.4°
C28C27C26C24105.8°107.5°
C28C27C26H19109.4°107.5°
C28C27C26H20109.4°107.5°
C27C28C26H18108.5°107.5°
C28C27H19H20144.7°145.8°
C27C28H21H22144.6°145.7°
C28C26C24H18149.1°145.7°
C28C26C24N23130.6°111.3°
C26C28H21H22144.6°145.7°
C24C26C27H18145.5°145.0°
C26C24N23C21176.4°180.0°
C24C26C27H193.6°145.0°
C24C26C27H20144.7°0.0°
C24C26C28H21148.0°0.0°
C24C26C28H227.1°145.1°
C26C24N23H243.5°0.0°
N23C24C26C27163.9°179.9°
C24N23C21H24180.0°179.9°
C24N23C21N22163.7°0.1°
N23C24C26H1818.4°34.4°
C26C27H19H20144.8°145.7°
C16C17C18H17180.0°179.9°
C16C17C18N22179.7°179.9°
C17C16C15H15179.8°180.0°
N23C21N22C18179.0°180.0°
C21N22C18C17179.1°179.3°
N22C21N23H2416.3°180.0°
C18C17C16H16179.3°180.0°
N22C18C17H170.3°0.0°
H1C5C4H561.7°57.5°
H1C5C4H658.1°62.9°
H2C5C4H5177.6°62.3°
H2C5C4H662.5°177.4°
H3C2C1H754.9°177.3°
H3C2C1H8174.8°62.9°
H4C2C1H764.3°62.3°
H4C2C1H855.6°57.6°
H11C9C10H120.7°0.1°
H13C12C13H140.7°0.2°
H15C15C16H160.2°0.0°
H16C16C17H170.7°0.1°
H18C26C27H19141.9°0.0°
H18C26C27H200.8°145.0°
H18C26C28H211.1°145.0°
H18C26C28H22142.0°0.1°
H19C27C28H21141.0°145.1°
H19C27C28H220.1°0.0°
H20C27C28H210.1°0.0°
H20C27C28H22141.0°145.1°

222624

PDB entries from 2024-07-17

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