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SummaryGeometryRelated PDB entries

KTI

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C19C20doub1.38Å1.37ÅAromatic
C19C18sing1.38Å1.37ÅAromatic
C20C14sing1.38Å1.37ÅAromatic
C18C17doub1.38Å1.37ÅAromatic
C14C13sing1.51Å1.52Å
C14C15doub1.38Å1.37ÅAromatic
C17C15sing1.38Å1.37ÅAromatic
C13S11sing1.81Å1.80Å
C15CL16sing1.74Å1.76Å
S11O21doub1.42Å1.41Å
S11O12doub1.42Å1.42Å
S11C10sing1.76Å1.78Å
O28C27sing1.36Å1.38Å
O28C29sing1.43Å1.39Å
C30C27doub1.39Å1.37ÅAromatic
C30C31sing1.38Å1.38ÅAromatic
C27C26sing1.39Å1.36ÅAromatic
C31C24doub1.39Å1.37ÅAromatic
C26N25doub1.32Å1.31ÅAromatic
C24N25sing1.32Å1.30ÅAromatic
C24N23sing1.39Å1.45Å
N23C02sing1.35Å1.43Å
C10CL22sing1.74Å1.75Å
C10C03doub1.33Å1.30Å
C02C03sing1.47Å1.52Å
C02O01doub1.22Å1.17Å
C13H1sing1.09Å1.10Å
C13H2sing1.09Å1.10Å
C17H3sing1.08Å1.08Å
C20H4sing1.08Å1.08Å
C26H5sing1.08Å1.08Å
C03H6sing1.08Å1.08Å
C18H7sing1.08Å1.08Å
C19H8sing1.08Å1.08Å
C29H9sing1.09Å1.10Å
C29H10sing1.09Å1.10Å
C29H11sing1.09Å1.10Å
C30H12sing1.08Å1.08Å
C31H13sing1.08Å1.08Å
N23H14sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C20C19C18120.1°120.0°
C19C20C14119.2°120.0°
C19C20H4120.4°120.0°
C20C19H8119.9°119.9°
C19C18C17120.5°120.0°
C19C18H7119.7°120.0°
C18C19H8120.0°120.0°
C20C14C13120.6°120.0°
C20C14C15120.8°120.0°
C14C20H4120.4°120.0°
C18C17C15119.3°120.0°
C18C17H3120.4°120.0°
C17C18H7119.7°120.0°
C13C14C15118.6°120.0°
C14C13S11109.3°109.4°
C14C13H1109.5°109.5°
C14C13H2109.5°109.5°
C14C15C17120.0°120.0°
C14C15CL16118.8°120.0°
C17C15CL16121.1°120.0°
C15C17H3120.3°120.0°
C13S11O21109.7°110.5°
C13S11O12115.7°110.6°
C13S11C10112.5°104.4°
S11C13H1109.5°109.5°
S11C13H2109.5°109.5°
O21S11O12100.7°121.0°
O21S11C10106.9°104.3°
O12S11C10110.4°104.3°
S11C10CL22112.9°120.0°
S11C10C03126.1°120.0°
C27O28C29114.3°117.0°
O28C27C30120.9°120.4°
O28C27C26119.8°120.4°
O28C29H9109.5°109.5°
O28C29H10109.5°109.5°
O28C29H11109.5°109.4°
C27C30C31118.3°118.5°
C30C27C26119.3°119.2°
C27C30H12120.8°120.7°
C30C31C24119.2°119.2°
C31C30H12120.9°120.8°
C30C31H13120.4°120.4°
C27C26N25121.0°120.7°
C27C26H5119.5°119.6°
C31C24N25120.4°120.7°
C31C24N23118.6°119.6°
C24C31H13120.4°120.4°
C26N25C24121.8°121.7°
N25C26H5119.5°119.7°
N25C24N23120.9°119.7°
C24N23C02125.5°120.0°
C24N23H14117.2°120.0°
N23C02C03115.6°120.0°
N23C02O01122.0°120.0°
C02N23H14117.2°120.0°
CL22C10C03120.9°120.0°
C10C03C02123.8°120.0°
C10C03H6118.1°120.0°
C03C02O01122.3°120.1°
C02C03H6118.1°120.0°
H1C13H2109.5°109.5°
H9C29H10109.5°109.4°
H9C29H11109.4°109.5°
H10C29H11109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C20C19C18H8180.0°179.8°
C19C20C14H4180.0°180.0°
C20C19C18C170.2°0.2°
C19C20C14C13179.5°180.0°
C19C20C14C150.6°0.0°
C20C19C18H7179.8°179.7°
C18C19C20C140.4°0.2°
C19C18C17H7180.0°180.0°
C19C18C17C150.0°0.0°
C19C18C17H3180.0°180.0°
C18C19C20H4179.6°179.8°
C20C14C13C15179.9°180.0°
C20C14C15C170.4°0.2°
C20C14C13S1185.7°90.0°
C20C14C15CL16179.7°180.0°
C20C14C13H134.2°150.0°
C20C14C13H2154.3°30.0°
C14C20C19H8179.5°180.0°
C18C17C15C140.1°0.2°
C18C17C15H3180.0°180.0°
C18C17C15CL16180.0°180.0°
C17C18C19H8179.8°180.0°
C13C14C15C17179.7°179.8°
C14C13S11H1120.0°120.0°
C14C13S11H2120.0°120.0°
C13C14C15CL160.2°0.0°
C14C13S11O21161.6°68.4°
C14C13S11O1248.6°68.3°
C14C13S11C1079.6°180.0°
C14C13H1H2120.1°120.0°
C13C14C20H40.5°0.0°
C14C15C17CL16179.9°179.7°
C15C14C13S1194.2°90.0°
C15C14C13H1145.9°30.0°
C15C14C13H225.8°150.0°
C14C15C17H3179.9°179.7°
C15C14C20H4179.4°180.0°
C15C17C18H7180.0°180.0°
C13S11O21O12122.4°131.5°
C13S11O21C10122.2°111.7°
C13S11O12C10129.3°111.8°
C13S11C10CL2270.6°95.0°
C13S11C10C03112.8°84.8°
S11C13H1H2120.0°120.0°
CL16C15C17H30.0°0.0°
O21S11O12C10112.6°116.7°
O21S11C10CL2249.8°148.9°
O21S11C10C03126.8°31.3°
O21S11C13H141.6°171.6°
O21S11C13H278.4°51.6°
O12S11C10CL22158.4°21.1°
O12S11C10C0318.2°159.1°
O12S11C13H171.3°51.6°
O12S11C13H2168.6°171.7°
S11C10CL22C03176.8°179.8°
S11C10C03C024.7°19.3°
C10S11C13H1160.4°60.0°
C10S11C13H240.4°60.0°
S11C10C03H6175.3°160.8°
O28C27C30C26179.1°179.5°
O28C27C30C31179.4°179.8°
O28C27C26N25179.4°179.9°
O28C27C26H50.6°0.0°
C27O28C29H9180.0°180.0°
C27O28C29H1060.0°60.0°
C27O28C29H1160.0°60.0°
O28C27C30H120.6°0.6°
C29O28C27C30145.2°179.5°
C29O28C27C2635.7°0.0°
O28C29H9H10120.0°120.0°
O28C29H9H11120.0°120.0°
O28C29H10H11120.0°120.0°
C27C30C31H12180.0°179.1°
C27C30C31C241.9°0.5°
C30C27C26N251.5°0.5°
C30C27C26H5178.5°179.5°
C27C30C31H13178.1°179.5°
C31C30C27C260.3°0.8°
C30C31C24H13180.0°180.0°
C30C31C24N253.1°0.0°
C30C31C24N23179.1°179.7°
C27C26N25H5180.0°179.9°
C27C26N25C240.4°0.1°
C26C27C30H12179.7°179.9°
C31C24N25C262.0°0.3°
C31C24N25N23175.9°179.7°
C31C24N23C0258.5°174.4°
C24C31C30H12178.1°179.7°
C31C24N23H14121.5°5.7°
C26N25C24N23177.9°180.0°
N25C24N23C02125.5°5.9°
C24N25C26H5179.6°180.0°
N25C24C31H13176.9°180.0°
N25C24N23H1454.4°174.0°
C24N23C02H14180.0°179.9°
C24N23C02C03177.8°174.9°
C24N23C02O013.6°5.2°
N23C24C31H130.9°0.3°
N23C02C03C1074.1°172.5°
N23C02C03O01178.7°180.0°
N23C02C03H6105.8°7.6°
CL22C10C03C02178.9°160.5°
CL22C10C03H61.1°19.5°
C10C03C02H6180.0°180.0°
C10C03C02O01107.2°7.6°
C03C02N23H142.3°5.0°
O01C02C03H672.8°172.4°
O01C02N23H14176.4°174.9°
H3C17C18H70.0°0.0°
H4C20C19H80.5°0.0°
H7C18C19H80.2°0.0°
H9C29H10H11119.9°120.0°
H12C30C31H131.9°0.3°

248636

PDB entries from 2026-02-04

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