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SummaryGeometryRelated PDB entries

A1I4A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C05C03sing1.39Å1.39ÅAromatic
C05C07doub1.38Å1.40ÅAromatic
C03C01doub1.37Å1.40ÅAromatic
C07C11sing1.39Å1.38ÅAromatic
C01C10sing1.41Å1.39ÅAromatic
C11C10doub1.40Å1.39ÅAromatic
C11S12sing1.76Å1.65ÅAromatic
C10N09sing1.35Å1.35ÅAromatic
S12C13sing1.76Å1.71ÅAromatic
N09C13doub1.29Å1.32ÅAromatic
C13N15sing1.38Å1.32Å
N15C17sing1.35Å1.31Å
O14C17doub1.22Å1.22Å
C17C30sing1.48Å1.52Å
S42C40sing1.76Å1.70ÅAromatic
S42C37sing1.76Å1.70ÅAromatic
C30C31doub1.39Å1.39ÅAromatic
C30C29sing1.40Å1.38ÅAromatic
C31C33sing1.38Å1.39ÅAromatic
C40C39doub1.35Å1.39ÅAromatic
C25C29sing1.51Å1.53Å
C25N24sing1.47Å1.48Å
C29C28doub1.37Å1.37ÅAromatic
C37N24sing1.38Å1.38Å
C37N38doub1.29Å1.34ÅAromatic
C33C35doub1.38Å1.38ÅAromatic
N24C21sing1.47Å1.47Å
C39N38sing1.34Å1.36ÅAromatic
C39C43sing1.47Å1.53Å
O44C43doub1.22Å1.23Å
C28C35sing1.39Å1.37ÅAromatic
C28C18sing1.51Å1.50Å
C43O45sing1.35Å1.23Å
C21C18sing1.53Å1.53Å
C01H1sing1.08Å1.08Å
C03H2sing1.08Å1.08Å
C05H3sing1.08Å1.08Å
C07H4sing1.08Å1.08Å
N15H5sing0.97Å1.00Å
C18H6sing1.09Å1.10Å
C18H7sing1.09Å1.10Å
C21H8sing1.09Å1.10Å
C21H9sing1.09Å1.10Å
C25H10sing1.09Å1.10Å
C25H11sing1.09Å1.10Å
C31H12sing1.08Å1.08Å
C33H13sing1.08Å1.08Å
C35H14sing1.08Å1.08Å
C40H15sing1.08Å1.08Å
O45H16sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C03C05C07119.8°120.0°
C05C03C01119.6°120.6°
C05C03H2120.2°119.7°
C03C05H3120.1°120.0°
C05C07C11119.4°120.2°
C07C05H3120.1°120.0°
C05C07H4120.3°119.8°
C03C01C10121.2°120.4°
C03C01H1119.4°119.8°
C01C03H2120.2°119.7°
C07C11C10122.0°120.4°
C07C11S12128.2°131.2°
C11C07H4120.3°119.9°
C01C10C11117.8°118.4°
C01C10N09128.1°128.8°
C10C01H1119.4°119.8°
C10C11S12109.8°108.4°
C11C10N09114.0°112.9°
C11S12C1392.2°90.5°
C10N09C13112.4°117.9°
S12C13N09111.6°110.4°
S12C13N15126.3°124.8°
N09C13N15122.1°124.9°
C13N15C17122.1°120.0°
C13N15H5119.0°120.0°
N15C17O14119.6°120.0°
N15C17C30120.0°120.0°
C17N15H5119.0°120.0°
O14C17C30120.2°120.1°
C17C30C31119.2°120.0°
C17C30C29122.0°119.9°
C40S42C3789.9°90.2°
S42C40C39111.6°108.3°
S42C40H15124.2°125.9°
S42C37N24121.4°125.1°
S42C37N38113.5°109.7°
C31C30C29118.8°120.1°
C30C31C33122.0°119.7°
C30C31H12119.0°120.2°
C30C29C25120.0°118.5°
C30C29C28119.4°119.7°
C31C33C35118.0°119.9°
C33C31H12119.0°120.1°
C31C33H13121.0°120.0°
C40C39N38112.6°115.0°
C40C39C43122.9°122.6°
C39C40H15124.2°125.8°
C29C25N24113.1°110.6°
C25C29C28120.6°121.9°
C29C25H10108.6°109.3°
C29C25H11108.6°109.3°
C25N24C37118.1°111.1°
C25N24C21122.1°110.2°
N24C25H10108.5°109.2°
N24C25H11108.5°109.3°
C29C28C35121.7°119.8°
C29C28C18119.3°121.8°
N24C37N38125.1°125.2°
C37N24C21119.5°111.0°
C37N38C39112.3°116.9°
C33C35C28120.1°120.9°
C35C33H13121.0°120.2°
C33C35H14119.9°119.4°
N24C21C18111.6°108.5°
N24C21H8108.9°109.6°
N24C21H9108.9°109.8°
N38C39C43124.4°122.5°
C39C43O44121.7°120.0°
C39C43O45119.1°120.0°
O44C43O45119.2°120.0°
C35C28C18119.0°118.4°
C28C35H14120.0°119.7°
C28C18C21111.8°109.9°
C28C18H6108.9°109.4°
C28C18H7108.9°109.4°
C43O45H16109.5°117.0°
C21C18H6108.9°109.4°
C21C18H7108.9°109.4°
C18C21H8108.9°109.6°
C18C21H9108.9°109.6°
H6C18H7109.5°109.4°
H8C21H9109.5°109.6°
H10C25H11109.5°109.2°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C03C05C07H3180.0°180.0°
C05C03C01H2180.0°180.0°
C03C05C07C110.8°0.0°
C05C03C01C101.4°0.0°
C05C03C01H1178.6°179.7°
C03C05C07H4179.2°180.0°
C07C05C03C012.0°0.0°
C05C07C11H4180.0°180.0°
C05C07C11C101.1°0.0°
C05C07C11S12179.4°180.0°
C07C05C03H2178.0°180.0°
C03C01C10H1180.0°179.7°
C03C01C10C110.4°0.0°
C03C01C10N09179.5°179.7°
C01C03C05H3178.0°179.9°
C07C11C10C011.7°0.0°
C07C11C10S12179.6°180.0°
C07C11C10N09179.1°179.8°
C07C11S12C13178.9°179.9°
C11C07C05H3179.2°179.9°
C01C10C11N09179.2°179.8°
C01C10C11S12178.7°180.0°
C01C10N09C13179.2°179.9°
C10C01C03H2178.6°180.0°
C10C11S12C130.7°0.0°
C11C10N09C130.2°0.4°
C11C10C01H1179.6°179.7°
C10C11C07H4178.9°180.0°
S12C11C10N090.4°0.2°
C11S12C13N090.8°0.2°
C11S12C13N15178.4°179.8°
S12C11C07H40.6°0.0°
C10N09C13S120.7°0.3°
C10N09C13N15178.5°180.0°
N09C10C01H10.5°0.0°
S12C13N09N15179.2°179.7°
S12C13N15C1741.8°0.4°
S12C13N15H5138.3°179.6°
N09C13N15C17139.2°180.0°
N09C13N15H540.8°0.1°
C13N15C17H5180.0°180.0°
C13N15C17O1424.1°0.0°
C13N15C17C30150.3°180.0°
N15C17O14C30174.4°179.9°
N15C17C30C3145.3°0.0°
N15C17C30C29135.9°180.0°
O14C17C30C31129.1°180.0°
O14C17C30C2949.7°0.0°
O14C17N15H5155.9°180.0°
C17C30C31C29178.9°180.0°
C17C30C31C33179.0°180.0°
C17C30C29C252.1°0.2°
C17C30C29C28179.4°179.8°
C30C17N15H529.6°0.0°
C17C30C31H121.0°0.0°
S42C40C39H15180.0°179.7°
C40S42C37N24179.5°179.9°
C40S42C37N382.3°0.3°
S42C40C39N381.9°0.3°
S42C40C39C43179.1°179.8°
C37S42C40C392.3°0.3°
S42C37N24C2516.9°1.3°
S42C37N24N38178.0°179.7°
S42C37N24C21156.7°124.3°
S42C37N38C391.6°0.3°
C37S42C40H15177.6°180.0°
C30C31C33H12180.0°180.0°
C31C30C29C25179.1°179.8°
C31C30C29C280.5°0.2°
C30C31C33C350.2°0.2°
C30C31C33H13179.8°179.9°
C29C30C31C330.1°0.0°
C30C29C25C28178.5°180.0°
C30C29C25N24155.6°162.7°
C30C29C28C350.7°0.2°
C30C29C28C18178.4°179.7°
C30C29C25H1083.9°77.1°
C30C29C25H1135.0°42.3°
C29C30C31H12179.9°180.0°
C31C33C35H13180.0°179.9°
C31C33C35C280.1°0.2°
C31C33C35H14179.9°179.8°
C40C39N38C370.2°0.0°
C40C39N38C43179.0°180.0°
C40C39C43O443.3°0.0°
C40C39C43O45176.2°179.9°
C29C25N24H10120.6°120.3°
C29C25N24H11120.6°120.3°
C29C25N24C37161.3°175.8°
C29C25N24C2112.0°52.3°
C25C29C28C35179.2°179.8°
C25C29C28C180.1°0.3°
C29C25H10H11118.3°119.5°
N24C25C29C2825.9°17.3°
C25N24C37C21173.5°123.0°
C25N24C37N38165.2°179.0°
C25N24C21C1824.8°71.2°
C25N24C21H8145.2°48.6°
C25N24C21H995.5°169.0°
N24C25H10H11118.3°119.5°
C29C28C35C330.3°0.0°
C29C28C35C18179.1°179.9°
C29C28C18C2138.8°16.8°
C29C28C18H6159.2°103.2°
C29C28C18H781.5°137.0°
C28C29C25H1094.7°102.9°
C28C29C25H11146.4°137.7°
C29C28C35H14179.7°180.0°
N24C37N38C39179.7°180.0°
C37N24C21C18162.0°165.4°
C37N24C21H841.6°74.9°
C37N24C21H977.7°45.5°
C37N24C25H1078.1°55.5°
C37N24C25H1140.7°63.9°
N38C37N24C2121.3°56.0°
C37N38C39C43179.2°180.0°
C33C35C28H14180.0°180.0°
C33C35C28C18178.7°179.9°
C35C33C31H12179.8°179.8°
N24C21C18C2849.6°50.4°
N24C21C18H8120.4°119.7°
N24C21C18H9120.3°119.9°
N24C21C18H6170.0°69.7°
N24C21C18H770.7°170.5°
N24C21H8H9119.0°120.6°
C21N24C25H10108.5°68.0°
C21N24C25H11132.6°172.7°
N38C39C43O44177.9°180.0°
N38C39C43O452.6°0.1°
N38C39C40H15178.0°179.9°
C39C43O44O45179.5°180.0°
C43C39C40H150.9°0.1°
C39C43O45H16179.5°180.0°
O44C43O45H160.0°0.1°
C35C28C18C21142.1°163.3°
C35C28C18H621.7°76.7°
C35C28C18H797.6°43.1°
C28C35C33H13179.9°179.9°
C28C18C21H6120.4°120.0°
C28C18C21H7120.3°120.1°
C28C18H6H7118.9°119.8°
C28C18C21H8169.9°69.4°
C28C18C21H970.7°170.3°
C18C28C35H141.3°0.1°
C21C18H6H7118.9°119.8°
C18C21H8H9119.0°120.4°
H1C01C03H21.4°0.3°
H2C03C05H32.0°0.0°
H3C05C07H40.8°0.0°
H6C18C21H869.7°170.6°
H6C18C21H949.6°50.2°
H7C18C21H849.6°50.8°
H7C18C21H9168.9°69.6°
H12C31C33H130.2°0.1°
H13C33C35H140.1°0.1°

257179

PDB entries from 2026-07-29

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