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SummaryGeometryRelated PDB entries

3HQ

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01C02sing1.51Å1.52Å
C03C02doub1.38Å1.37ÅAromatic
C03C04sing1.38Å1.40ÅAromatic
C02C32sing1.38Å1.38ÅAromatic
C26N27doub1.32Å1.35ÅAromatic
C26C25sing1.38Å1.39ÅAromatic
N27C28sing1.32Å1.35ÅAromatic
C04C05doub1.39Å1.35ÅAromatic
C25C24doub1.39Å1.41ÅAromatic
C28C29sing1.51Å1.52Å
C28C30doub1.38Å1.39ÅAromatic
C32C31doub1.38Å1.36ÅAromatic
C05C31sing1.39Å1.41ÅAromatic
C05N06sing1.40Å1.42Å
C24C30sing1.40Å1.38ÅAromatic
C24N23sing1.39Å1.44Å
N23C21sing1.35Å1.42Å
N06C07sing1.35Å1.43Å
N09C07sing1.35Å1.43Å
N09C10sing1.41Å1.39Å
C07O08doub1.22Å1.23Å
C10C11sing1.40Å1.36ÅAromatic
C10C14doub1.36Å1.38ÅAromatic
O22C21doub1.22Å1.20Å
C21C19sing1.48Å1.48Å
C11N12doub1.31Å1.33ÅAromatic
C14N13sing1.36Å1.32ÅAromatic
C20C19doub1.40Å1.40ÅAromatic
C20C15sing1.39Å1.37ÅAromatic
N12N13sing1.40Å1.33ÅAromatic
N13C15sing1.40Å1.32Å
C19C18sing1.40Å1.38ÅAromatic
C15C16doub1.39Å1.39ÅAromatic
C18C17doub1.38Å1.38ÅAromatic
C16C17sing1.38Å1.38ÅAromatic
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C03H4sing1.08Å1.08Å
C04H5sing1.08Å1.08Å
N06H6sing0.97Å1.00Å
N09H7sing0.97Å1.00Å
C11H8sing1.08Å1.08Å
C14H9sing1.08Å1.08Å
C16H10sing1.08Å1.08Å
C17H11sing1.08Å1.08Å
C18H12sing1.08Å1.08Å
C20H13sing1.08Å1.08Å
N23H14sing0.97Å1.00Å
C25H15sing1.08Å1.08Å
C26H16sing1.08Å1.08Å
C29H17sing1.09Å1.10Å
C29H18sing1.09Å1.10Å
C29H19sing1.09Å1.10Å
C30H20sing1.08Å1.08Å
C31H21sing1.08Å1.08Å
C32H22sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01C02C03120.4°120.0°
C01C02C32119.7°119.9°
C02C01H1109.5°109.5°
C02C01H2109.5°109.5°
C02C01H3109.4°109.5°
C02C03C04120.1°120.1°
C03C02C32119.9°120.2°
C02C03H4119.9°120.0°
C03C04C05120.0°119.9°
C04C03H4119.9°119.9°
C03C04H5120.0°120.1°
C02C32C31120.0°120.0°
C02C32H22120.0°120.0°
N27C26C25120.6°120.9°
C26N27C28121.1°121.8°
N27C26H16119.7°119.5°
C26C25C24119.6°119.1°
C26C25H15120.2°120.5°
C25C26H16119.7°119.6°
N27C28C29120.2°119.5°
N27C28C30120.1°120.9°
C04C05C31119.8°119.9°
C04C05N06121.1°120.1°
C05C04H5120.0°120.0°
C25C24C30118.1°118.3°
C25C24N23123.2°120.9°
C24C25H15120.2°120.5°
C29C28C30119.8°119.6°
C28C29H17109.5°109.5°
C28C29H18109.5°109.4°
C28C29H19109.5°109.4°
C28C30C24120.5°119.1°
C28C30H20119.7°120.5°
C32C31C05120.1°119.9°
C32C31H21119.9°120.0°
C31C32H22120.0°119.9°
C31C05N06119.1°120.0°
C05C31H21120.0°120.1°
C05N06C07123.2°120.0°
C05N06H6118.4°120.0°
C30C24N23118.6°120.8°
C24C30H20119.7°120.5°
C24N23C21124.1°120.0°
C24N23H14118.0°120.0°
N23C21O22121.2°120.0°
N23C21C19119.4°120.0°
C21N23H14117.9°120.0°
N06C07N09122.1°120.0°
N06C07O08117.4°120.0°
C07N06H6118.4°120.0°
C07N09C10122.1°120.0°
N09C07O08120.5°120.1°
C07N09H7119.0°120.1°
N09C10C11125.1°126.0°
N09C10C14128.8°126.1°
C10N09H7119.0°119.9°
C11C10C14106.1°107.9°
C10C11N12107.9°108.4°
C10C11H8126.1°125.9°
C10C14N13107.9°107.5°
C10C14H9126.1°126.3°
O22C21C19119.4°120.1°
C21C19C20120.3°120.1°
C21C19C18120.3°120.2°
C11N12N13109.4°108.4°
N12C11H8126.0°125.8°
C14N13N12108.7°107.8°
C14N13C15126.5°126.1°
N13C14H9126.1°126.2°
C19C20C15120.3°119.8°
C20C19C18119.3°119.7°
C19C20H13119.9°120.1°
C20C15N13119.9°120.0°
C20C15C16120.0°120.0°
C15C20H13119.8°120.2°
N12N13C15124.7°126.1°
N13C15C16120.2°120.0°
C19C18C17120.3°120.0°
C19C18H12119.9°120.0°
C15C16C17119.9°120.2°
C15C16H10120.0°119.9°
C18C17C16120.2°120.3°
C18C17H11119.9°119.9°
C17C18H12119.9°120.0°
C17C16H10120.1°119.9°
C16C17H11119.9°119.8°
H1C01H2109.4°109.4°
H1C01H3109.5°109.5°
H2C01H3109.5°109.4°
H17C29H18109.5°109.5°
H17C29H19109.5°109.5°
H18C29H19109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01C02C03C32179.9°179.8°
C01C02C03C04179.8°180.0°
C01C02C32C31179.9°179.7°
C02C01H1H2120.0°120.0°
C02C01H1H3120.0°120.1°
C02C01H2H3120.0°120.0°
C01C02C03H40.2°0.0°
C01C02C32H220.1°0.1°
C02C03C04H4180.0°180.0°
C02C03C04C050.0°0.1°
C03C02C32C310.0°0.5°
C03C02C01H190.0°89.7°
C03C02C01H2150.0°30.2°
C03C02C01H329.9°150.2°
C02C03C04H5180.0°180.0°
C03C02C32H22180.0°179.7°
C04C03C02C320.1°0.2°
C03C04C05H5180.0°179.9°
C03C04C05C310.3°0.0°
C03C04C05N06179.5°180.0°
C02C32C31H22180.0°179.8°
C02C32C31C050.3°0.5°
C32C02C01H190.1°90.1°
C32C02C01H229.9°150.0°
C32C02C01H3150.0°30.0°
C32C02C03H4179.9°179.8°
C02C32C31H21179.7°179.7°
N27C26C25H16180.0°180.0°
N27C26C25C240.4°0.0°
C26N27C28C29180.0°180.0°
C26N27C28C300.0°0.0°
N27C26C25H15179.6°180.0°
C25C26N27C280.1°0.0°
C26C25C24H15180.0°180.0°
C26C25C24C300.7°0.0°
C26C25C24N23179.7°179.7°
N27C28C29C30179.9°179.9°
N27C28C30C240.3°0.0°
C28N27C26H16179.9°180.0°
N27C28C29H170.0°90.0°
N27C28C29H18120.0°150.0°
N27C28C29H19120.0°30.0°
N27C28C30H20179.7°179.7°
C04C05C31C320.4°0.2°
C04C05C31N06179.2°179.9°
C04C05N06C0761.7°34.0°
C05C04C03H4180.0°179.9°
C04C05N06H6118.4°145.9°
C04C05C31H21179.6°180.0°
C25C24C30C280.6°0.0°
C25C24C30N23179.0°179.8°
C25C24N23C2137.3°32.2°
C25C24N23H14142.7°147.8°
C24C25C26H16179.6°180.0°
C25C24C30H20179.3°179.8°
C29C28C30C24179.7°180.0°
C28C29H17H18120.0°120.0°
C28C29H17H19120.0°120.0°
C28C29H18H19120.0°119.9°
C29C28C30H200.3°0.2°
C28C30C24H20180.0°179.8°
C28C30C24N23179.7°179.7°
C30C28C29H17179.9°90.0°
C30C28C29H1859.9°30.1°
C30C28C29H1960.1°150.1°
C32C31C05H21180.0°179.8°
C32C31C05N06179.6°179.7°
C31C05N06C07119.1°146.0°
C31C05C04H5179.7°180.0°
C31C05N06H660.9°34.1°
C05C31C32H22179.7°179.7°
C05N06C07H6180.0°179.9°
C05N06C07N090.5°174.8°
C05N06C07O08179.7°5.3°
N06C05C04H50.5°0.1°
N06C05C31H210.3°0.1°
C30C24N23C21143.8°148.1°
C30C24N23H1436.2°31.9°
C30C24C25H15179.3°180.0°
C24N23C21H14180.0°180.0°
C24N23C21O220.1°5.0°
C24N23C21C19179.8°174.9°
N23C24C25H150.4°0.3°
N23C24C30H200.3°0.0°
N23C21O22C19179.7°180.0°
N23C21C19C2032.5°179.8°
N23C21C19C18147.5°0.0°
N06C07N09O08179.7°179.9°
N06C07N09C10179.8°180.0°
N06C07N09H70.2°0.0°
C07N09C10H7180.0°180.0°
C07N09C10C11146.0°0.0°
C07N09C10C1434.3°179.7°
N09C07N06H6179.5°5.1°
C10N09C07O080.5°0.0°
N09C10C11C14179.7°179.7°
N09C10C11N12180.0°180.0°
N09C10C14N13180.0°179.8°
N09C10C11H80.1°0.0°
N09C10C14H90.1°0.0°
O08C07N06H60.2°174.8°
O08C07N09H7179.5°180.0°
C10C11N12H8180.0°179.9°
C11C10C14N130.2°0.4°
C10C11N12N130.1°0.0°
C11C10N09H734.0°179.9°
C11C10C14H9179.8°179.7°
C14C10C11N120.2°0.3°
C10C14N13H9180.0°179.8°
C10C14N13N120.2°0.4°
C10C14N13C15179.7°179.9°
C14C10N09H7145.7°0.2°
C14C10C11H8179.8°179.8°
O22C21C19C20147.8°0.3°
O22C21C19C1832.2°180.0°
O22C21N23H14179.9°175.0°
C21C19C20C18180.0°179.7°
C21C19C20C15180.0°179.7°
C21C19C18C17180.0°180.0°
C21C19C18H120.0°0.0°
C21C19C20H130.0°0.3°
C19C21N23H140.2°5.1°
C11N12N13C140.0°0.2°
C11N12N13C15179.8°180.0°
C14N13C15C20117.7°175.0°
C14N13N12C15179.8°179.7°
C14N13C15C1662.9°5.4°
C19C20C15H13180.0°179.4°
C19C20C15N13179.6°179.8°
C19C20C15C160.2°0.6°
C20C19C18C170.0°0.3°
C20C19C18H12179.9°179.8°
C20C15N13N1262.5°4.7°
C20C15N13C16179.4°179.7°
C15C20C19C180.0°0.6°
C20C15C16C170.4°0.3°
C20C15C16H10179.6°179.7°
N12N13C15C16116.9°175.0°
N13N12C11H8179.9°180.0°
N12N13C14H9179.9°179.8°
N13C15C16C17179.8°180.0°
C15N13C14H90.3°0.0°
N13C15C16H100.2°0.1°
N13C15C20H130.4°0.3°
C19C18C17H12180.0°179.9°
C19C18C17C160.2°0.1°
C19C18C17H11179.9°180.0°
C18C19C20H13180.0°180.0°
C15C16C17C180.4°0.1°
C15C16C17H10180.0°179.9°
C15C16C17H11179.6°179.9°
C16C15C20H13179.8°180.0°
C18C17C16H11180.0°180.0°
C18C17C16H10179.6°180.0°
C16C17C18H12179.9°180.0°
H1C01H2H3120.0°120.0°
H4C03C04H50.0°0.0°
H10C16C17H110.4°0.0°
H11C17C18H120.1°0.0°
H15C25C26H160.4°0.0°
H17C29H18H19120.0°120.1°
H21C31C32H220.3°0.0°

222036

PDB entries from 2024-07-03

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