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SummaryGeometryRelated PDB entries

JL4

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C10C09doub1.37Å1.27ÅAromatic
C10S11sing1.76Å1.66ÅAromatic
C10C12sing1.42Å1.46Å
C01C02sing1.51Å1.42Å
C02N03doub1.29Å1.17ÅAromatic
C02S06sing1.71Å1.67ÅAromatic
N03C04sing1.33Å1.35ÅAromatic
C04C05doub1.35Å1.35ÅAromatic
C04C07sing1.48Å1.32Å
C05S06sing1.76Å1.65ÅAromatic
C07C08doub1.37Å1.25ÅAromatic
C07S11sing1.76Å1.76ÅAromatic
C08C09sing1.37Å1.27ÅAromatic
C12O13doub1.22Å1.19Å
C12O14sing1.35Å1.21Å
C01H013sing1.09Å1.10Å
C01H011sing1.09Å1.10Å
C01H012sing1.09Å1.10Å
C05H051sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C09H091sing1.08Å1.08Å
O14H3sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C09C10S11106.0°109.6°
C09C10C12120.2°125.2°
C10C09C08120.7°114.7°
C10C09H091119.6°122.7°
S11C10C12133.7°125.2°
C10S11C0791.7°91.2°
C10C12O13115.3°120.0°
C10C12O14120.9°120.0°
C01C02N03119.7°124.7°
C01C02S06129.5°124.7°
C02C01H013109.5°109.5°
C02C01H011109.4°109.5°
C02C01H012109.4°109.5°
N03C02S06110.8°110.6°
C02N03C04119.0°117.1°
C02S06C0591.8°90.5°
N03C04C05109.6°113.9°
N03C04C07119.3°123.0°
C05C04C07130.3°123.1°
C04C05S06108.6°107.9°
C04C05H051125.7°126.1°
C04C07C08117.3°125.2°
C04C07S11136.2°125.1°
S06C05H051125.7°126.1°
C08C07S11106.5°109.7°
C07C08C09115.2°114.8°
C07C08H081122.4°122.6°
C09C08H081122.4°122.6°
C08C09H091119.7°122.6°
O13C12O14123.8°120.0°
C12O14H3109.5°114.1°
H013C01H011109.4°109.4°
H013C01H012109.5°109.5°
H011C01H012109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C09C10S11C12178.0°179.8°
C10C09C08C070.5°0.0°
C09C10S11C070.5°0.0°
C10C09C08H091180.0°180.0°
C09C10C12O1316.0°0.1°
C09C10C12O14162.3°180.0°
C10C09C08H081179.5°180.0°
C10S11C07C04177.3°179.9°
C10S11C07C080.3°0.0°
S11C10C09C080.7°0.0°
S11C10C12O13161.7°179.7°
S11C10C12O1420.0°0.2°
S11C10C09H091179.3°180.0°
C12C10S11C07178.5°179.8°
C12C10C09C08179.0°179.8°
C10C12O13O14178.2°179.9°
C12C10C09H0911.0°0.3°
C10C12O14H3178.2°180.0°
C01C02N03S06177.5°179.7°
C01C02N03C04175.6°179.9°
C01C02S06C05178.1°180.0°
C02C01H013H011120.0°120.0°
C02C01H013H012120.0°120.0°
C02C01H011H012120.0°120.0°
C02N03C04C054.3°0.0°
C02N03C04C07175.6°180.0°
N03C02S06C050.9°0.3°
N03C02C01H0130.0°90.0°
N03C02C01H011120.0°150.0°
N03C02C01H012120.0°30.0°
S06C02N03C041.9°0.2°
C02S06C05C043.2°0.3°
S06C02C01H013177.0°90.3°
S06C02C01H01163.0°29.7°
S06C02C01H01257.0°149.7°
C02S06C05H051176.8°179.9°
N03C04C05C07170.0°180.0°
N03C04C05S064.5°0.2°
N03C04C07C0818.3°0.0°
N03C04C07S11164.9°179.9°
N03C04C05H051175.5°180.0°
C04C05S06H051180.0°179.8°
C05C04C07C08150.9°179.9°
C05C04C07S1125.9°0.0°
C07C04C05S06174.6°179.8°
C04C07C08S11177.7°179.9°
C04C07C08C09177.6°180.0°
C07C04C05H0515.4°0.0°
C04C07C08H0812.4°0.1°
C07C08C09H081180.0°179.9°
C07C08C09H091179.5°179.9°
S11C07C08C090.0°0.0°
S11C07C08H081180.0°180.0°
O13C12O14H30.0°0.1°
H013C01H011H012120.0°120.0°
H081C08C09H0910.5°0.0°

223166

PDB entries from 2024-07-31

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