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A1JTP

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C02O01sing1.43Å1.44Å
C06N05sing1.40Å1.45Å
C07C06doub1.39Å1.36ÅAromatic
C08C07sing1.38Å1.34ÅAromatic
O10S09doub1.42Å1.47Å
N11S09sing1.66Å1.64Å
O12S09doub1.42Å1.47Å
S09C08sing1.76Å1.83Å
C13C08doub1.38Å1.41ÅAromatic
C14C13sing1.38Å1.40ÅAromatic
C15C14doub1.38Å1.37ÅAromatic
N05C04sing1.35Å1.50Å
O16C04doub1.21Å1.22Å
C04C03sing1.51Å1.48Å
O17C03sing1.43Å1.50Å
C18O17sing1.43Å1.47Å
C20N19sing1.35Å1.33ÅAromatic
C21C20doub1.35Å1.41ÅAromatic
O23C22sing1.43Å1.44Å
C24O23sing1.36Å1.44Å
C25C24doub1.38Å1.42ÅAromatic
C26C25sing1.39Å1.43ÅAromatic
C28O27sing1.34Å1.46Å
C30C29doub1.36Å1.49Å
C31C30sing1.51Å1.52Å
C32C31sing1.54Å1.52Å
C33C32sing1.54Å1.53Å
C29C28sing1.41Å1.51Å
O34C28doub1.22Å1.19Å
O27C26sing1.35Å1.51Å
C35C26doub1.41Å1.45ÅAromatic
C36C35sing1.40Å1.42ÅAromatic
C37C36doub1.36Å1.44ÅAromatic
C22C21sing1.51Å1.60Å
N38C21sing1.34Å1.36ÅAromatic
N39N38doub1.29Å1.37ÅAromatic
N19C18sing1.46Å1.43Å
C40C18sing1.53Å1.55Å
O41C40sing1.43Å1.43Å
C03C02sing1.53Å1.55Å
C42C02sing1.53Å1.51Å
O43C42sing1.43Å1.53Å
C06C15sing1.39Å1.38ÅAromatic
N19N39sing1.29Å1.37ÅAromatic
C24C37sing1.39Å1.45ÅAromatic
C29C33sing1.51Å1.58Å
C30C35sing1.46Å1.52Å
C40C42sing1.53Å1.51Å
C14H141sing1.08Å1.08Å
C13H131sing1.08Å1.08Å
C15H151sing1.08Å1.08Å
C18H181sing1.09Å1.10Å
O01H011sing0.97Å0.95Å
C02H021sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
N05H051sing0.97Å1.00Å
C07H071sing1.08Å1.08Å
N11H111sing0.97Å1.00Å
N11H112sing0.97Å1.00Å
C20H201sing1.08Å1.08Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
C25H251sing1.08Å1.08Å
C31H311sing1.09Å1.10Å
C31H312sing1.09Å1.10Å
C32H321sing1.09Å1.10Å
C32H322sing1.09Å1.10Å
C33H331sing1.09Å1.10Å
C33H332sing1.09Å1.10Å
C36H361sing1.08Å1.08Å
C37H371sing1.08Å1.08Å
C40H401sing1.09Å1.10Å
O41H411sing0.97Å0.95Å
C42H421sing1.09Å1.10Å
O43H431sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O01C02C03107.9°109.5°
O01C02C42106.2°109.6°
C02O01H011109.5°114.1°
O01C02H021109.0°109.5°
N05C06C07109.6°120.1°
C06N05C04130.4°120.0°
N05C06C15131.3°120.1°
C06N05H051114.8°120.0°
C06C07C08119.4°120.0°
C07C06C15119.0°119.9°
C06C07H071120.3°120.0°
C07C08S09125.6°120.0°
C07C08C13124.1°120.1°
C08C07H071120.3°120.0°
O10S09N11110.6°106.4°
O10S09O12118.9°123.1°
O10S09C08103.3°106.4°
N11S09O12108.8°106.4°
N11S09C08108.4°107.2°
S09N11H111109.5°120.0°
S09N11H112109.5°120.0°
O12S09C08106.2°106.4°
S09C08C13109.9°120.0°
C08C13C14115.5°120.1°
C08C13H131122.2°119.9°
C13C14C15120.1°120.1°
C13C14H141120.0°120.0°
C14C13H131122.3°119.9°
C14C15C06121.5°119.9°
C15C14H141120.0°119.9°
C14C15H151119.2°120.1°
N05C04O16122.0°120.0°
N05C04C03119.8°120.0°
C04N05H051114.8°120.0°
O16C04C03118.2°120.0°
C04C03O17110.5°109.4°
C04C03C02106.6°109.5°
C04C03H031108.1°109.5°
C03O17C18103.1°114.0°
O17C03C02116.1°109.4°
O17C03H031107.9°109.5°
O17C18N19114.0°109.5°
O17C18C40108.1°109.4°
O17C18H181106.9°109.5°
N19C20C21107.9°106.2°
C20N19C18126.7°125.9°
C20N19N39108.7°108.3°
N19C20H201126.0°126.9°
C20C21C22125.7°126.7°
C20C21N38107.6°106.5°
C21C20H201126.0°126.9°
C22O23C24118.8°117.0°
O23C22C21111.3°109.5°
O23C22H221109.0°109.5°
O23C22H222109.0°109.5°
O23C24C25119.1°119.7°
O23C24C37121.8°119.7°
C24C25C26120.6°119.8°
C25C24C37119.0°120.5°
C24C25H251119.7°120.1°
C25C26O27119.6°120.8°
C25C26C35119.2°119.4°
C26C25H251119.7°120.1°
O27C28C29114.1°121.9°
O27C28O34122.5°119.1°
C28O27C26116.3°121.5°
C29C30C31106.5°110.4°
C30C29C28116.0°119.5°
C30C29C33104.1°110.0°
C29C30C35114.3°118.4°
C30C31C32105.5°105.0°
C31C30C35122.1°131.2°
C30C31H311110.4°110.4°
C30C31H312110.5°110.3°
C31C32C33106.5°102.0°
C32C31H311110.4°110.3°
C32C31H312110.4°110.4°
C31C32H321110.2°110.9°
C31C32H322110.2°110.9°
C32C33C29106.3°105.1°
C33C32H321110.2°110.9°
C33C32H322110.2°111.0°
C32C33H331110.3°110.3°
C32C33H332110.2°110.3°
C29C28O34123.4°119.0°
C28C29C33126.6°130.5°
O27C26C35121.1°119.8°
C26C35C36121.9°120.1°
C26C35C30120.0°119.0°
C35C36C37117.4°119.7°
C36C35C30118.1°120.9°
C35C36H361121.3°120.2°
C36C37C24121.8°120.5°
C37C36H361121.3°120.1°
C36C37H371119.1°119.8°
C22C21N38126.7°126.8°
C21C22H221109.0°109.5°
C21C22H222109.0°109.4°
C21N38N39107.4°108.9°
N38N39N19108.4°110.2°
N19C18C40113.8°109.5°
C18N19N39124.6°125.9°
N19C18H181107.4°109.5°
C18C40O41109.7°109.5°
C18C40C42111.6°109.1°
C40C18H181106.1°109.5°
C18C40H401108.9°109.5°
O41C40C42106.6°109.5°
O41C40H401110.5°109.7°
C40O41H411109.5°114.0°
C03C02C42117.7°109.2°
C03C02H021107.7°109.5°
C02C03H031107.3°109.5°
C02C42O43106.9°109.5°
C02C42C40113.5°109.1°
C42C02H021108.2°109.6°
C02C42H421108.7°109.5°
O43C42C40110.4°109.6°
O43C42H421108.5°109.6°
C42O43H431109.5°114.0°
C06C15H151119.3°120.0°
C24C37H371119.1°119.8°
C29C33H331110.3°110.3°
C29C33H332110.3°110.3°
C42C40H401109.4°109.5°
C40C42H421108.7°109.5°
H111N11H112109.4°120.0°
H221C22H222109.4°109.5°
H311C31H312109.5°110.3°
H321C32H322109.5°110.8°
H331C33H332109.4°110.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O01C02C03C0484.8°62.5°
O01C02C03O17151.6°177.6°
O01C02C03C42120.0°120.0°
O01C02C03H021117.5°120.1°
O01C02C42H021116.9°120.1°
O01C02C42O4321.0°57.0°
O01C02C42C40142.9°176.9°
O01C02C03H03130.9°57.6°
O01C02C42H42196.0°63.2°
N05C06C07C15179.6°180.0°
N05C06C07C08176.2°179.7°
N05C06C15C14177.5°179.9°
C06N05C04H051180.0°180.0°
C06N05C04O16178.6°4.9°
C06N05C04C033.1°175.1°
N05C06C15H1512.5°0.0°
N05C06C07H0713.8°0.1°
C06C07C08H071180.0°179.8°
C06C07C08S09179.9°180.0°
C06C07C08C138.0°0.5°
C07C06C15C141.9°0.1°
C07C06N05C04165.2°143.1°
C07C06C15H151178.1°180.0°
C07C06N05H05114.8°36.9°
C07C08S09O10146.0°157.0°
C07C08S09N1128.7°89.5°
C07C08S09O1288.1°24.1°
C07C08S09C13173.0°179.5°
C07C08C13C145.2°0.5°
C08C07C06C154.3°0.3°
C07C08C13H131174.8°179.4°
O10S09N11O12132.4°132.9°
O10S09N11C08112.5°113.6°
O10S09O12C08115.7°123.0°
O10S09C08C1340.9°23.5°
O10S09N11H111180.0°113.6°
O10S09N11H11260.0°66.4°
N11S09O12C08116.5°114.1°
N11S09C08C13158.3°90.0°
S09N11H111H112120.0°180.0°
O12S09C08C1384.9°156.4°
O12S09N11H11147.6°113.6°
O12S09N11H11272.3°66.4°
S09C08C13C14178.3°180.0°
S09C08C13H1311.7°0.1°
S09C08C07H0710.1°0.2°
C08S09N11H11167.5°0.0°
C08S09N11H112172.5°180.0°
C08C13C14H131180.0°179.9°
C08C13C14C151.2°0.3°
C08C13C14H141178.8°180.0°
C13C08C07H071172.0°179.7°
C13C14C15H141180.0°179.7°
C13C14C15C064.6°0.0°
C13C14C15H151175.4°179.9°
C14C15C06H151180.0°179.9°
C15C14C13H131178.8°179.6°
N05C04O16C03178.4°180.0°
N05C04C03O17141.3°162.2°
N05C04C03C0291.7°77.9°
C04N05C06C1514.2°36.9°
N05C04C03H03123.4°42.2°
O16C04C03O1740.3°17.8°
O16C04C03C0286.7°102.1°
O16C04C03H031158.1°137.8°
O16C04N05H0511.5°175.1°
C04C03O17C02121.6°120.0°
C04C03O17H031118.0°120.0°
C04C03O17C18176.9°178.9°
C04C03C02H031115.7°120.0°
C04C03C02C42155.2°177.6°
C04C03C02H02132.8°57.6°
C03C04N05H051176.9°4.9°
C03O17C18N19159.9°178.8°
C03O17C18C4072.5°61.2°
O17C03C02H031120.7°120.0°
O17C03C02C4231.6°57.6°
C03O17C18H18141.3°58.9°
O17C03C02H02190.9°62.4°
O17C18N19C203.7°114.7°
O17C18N19C40124.6°120.0°
O17C18N19H181118.3°120.0°
O17C18C40H181114.4°120.0°
O17C18C40O4150.2°62.2°
C18O17C03C0255.4°61.1°
O17C18N19N39173.9°65.0°
O17C18C40C4267.8°57.6°
C18O17C03H03165.0°58.9°
O17C18C40H401171.2°177.5°
N19C20C21H201180.0°180.0°
N19C20C21C22179.1°180.0°
N19C20C21N381.4°0.0°
C20N19N39N380.6°0.5°
C20N19C18N39177.6°179.7°
C20N19C18C40120.9°125.3°
C20N19C18H181121.9°5.3°
C20C21C22O2367.7°0.0°
C20C21C22N38179.4°179.9°
C20C21N38N391.0°0.3°
C21C20N19C18179.1°180.0°
C21C20N19N391.2°0.3°
C20C21C22H22152.6°120.0°
C20C21C22H222172.0°120.0°
C22O23C24C2578.3°179.8°
O23C22C21H221120.3°120.0°
O23C22C21H222120.3°120.0°
O23C22C21N38112.9°179.9°
C22O23C24C37102.5°0.1°
O23C22H221H222119.1°120.0°
O23C24C25C37179.2°179.7°
O23C24C25C26179.2°180.0°
O23C24C37C36179.8°179.8°
C24O23C22C2172.2°179.9°
C24O23C22H22148.1°60.1°
C24O23C22H222167.5°60.0°
O23C24C25H2510.8°0.1°
O23C24C37H3710.2°0.0°
C24C25C26H251180.0°180.0°
C24C25C26O27178.4°180.0°
C24C25C26C351.2°0.0°
C25C24C37C360.6°0.6°
C25C24C37H371179.4°179.6°
C25C26O27C28168.8°179.9°
C25C26O27C35179.6°180.0°
C25C26C35C360.3°0.1°
C26C25C24C371.6°0.3°
C25C26C35C30178.2°179.9°
O27C28C29C3051.6°0.0°
O27C28C29O34179.8°180.0°
C28O27C26C3510.8°0.1°
O27C28C29C3382.9°179.9°
C29C30C31C35133.8°180.0°
C29C30C31C3233.2°17.0°
C30C29C33C3218.7°17.0°
C30C29C28C33134.4°180.0°
C30C29C28O34128.3°180.0°
C29C30C35C2611.3°0.1°
C29C30C35C36166.6°180.0°
C29C30C31H311152.6°102.0°
C29C30C31H31286.1°135.9°
C30C29C33H331100.8°135.9°
C30C29C33H332138.2°101.9°
C30C31C32H311119.4°118.9°
C30C31C32H312119.4°118.9°
C30C31C32C3320.5°25.8°
C31C30C29C28175.6°180.0°
C31C30C35C26141.9°179.9°
C31C30C35C3636.1°0.0°
C31C30C29C3331.8°0.0°
C30C31H311H312121.8°122.2°
C30C31C32H32199.0°143.9°
C30C31C32H322140.1°92.4°
C31C32C33H321119.5°118.2°
C31C32C33H322119.5°118.2°
C31C32C33C291.2°25.8°
C32C31C30C35100.6°163.0°
C32C31H311H312121.8°122.2°
C31C32H321H322121.3°123.7°
C31C32C33H331120.7°144.7°
C31C32C33H332118.3°93.1°
C32C33C29C28157.2°163.0°
C32C33C29H331119.5°118.9°
C32C33C29H332119.5°118.9°
C33C32C31H311139.9°93.2°
C33C32C31H31298.9°144.7°
C33C32H321H322121.4°123.7°
C32C33H331H332121.4°122.1°
C29C28O27C2636.5°0.0°
C28C29C30C3537.8°0.0°
C28C29C33H33137.7°44.1°
C28C29C33H33283.2°78.1°
O34C28O27C26143.3°180.0°
O34C28C29C3397.3°0.0°
O27C26C35C36179.9°180.0°
O27C26C35C302.2°0.1°
O27C26C25H2511.6°0.0°
C26C35C36C30177.9°179.9°
C26C35C36C371.2°0.2°
C35C26C25H251178.8°179.9°
C26C35C36H361178.7°180.0°
C35C36C37H361180.0°179.8°
C35C36C37C240.8°0.5°
C35C36C37H371179.2°179.7°
C36C37C24H371180.0°179.8°
C37C36C35C30179.2°179.9°
C22C21N38N39179.5°179.7°
C22C21C20H2010.9°0.1°
C21C22H221H222119.2°120.0°
C21N38N39N190.3°0.5°
N38C21C20H201178.6°180.0°
N38C21C22H221126.8°59.9°
N38C21C22H2227.4°60.1°
N38N39N19C18178.6°179.8°
N19C18C40H181117.9°120.0°
N19C18C40O4177.5°57.7°
N19C18C40C42164.5°177.6°
C18N19C20H2010.9°0.0°
N19C18C40H40143.5°62.5°
C18C40O41C42121.0°119.6°
C18C40O41H401120.1°120.2°
C18C40C42C0238.7°57.0°
C18C40C42O4381.3°62.9°
C40C18N19N3961.5°55.0°
C18C40C42H401120.7°119.8°
C18C40O41H411180.0°179.9°
C18C40C42H421159.9°176.9°
O41C40C42C0281.0°62.9°
O41C40C42O43158.9°177.2°
O41C40C42H401119.6°120.3°
O41C40C18H181164.6°177.7°
O41C40C42H42140.1°57.0°
C03C02C42H021122.2°119.9°
C03C02C42O4399.9°62.9°
C03C02C42C4022.1°57.0°
C03C02O01H011180.0°67.7°
C03C02C42H421143.2°176.8°
C02C42O43C40123.9°119.6°
C02C42O43H421117.1°120.2°
C02C42C40H421121.1°119.9°
C42C02O01H01153.0°172.5°
C42C02C03H03189.1°62.4°
C02C42C40H401159.4°176.8°
C02C42O43H431180.0°60.4°
O43C42C40H421118.8°120.2°
O43C42C02H021137.9°177.2°
O43C42C40H40139.4°56.9°
C06C15C14H141175.4°179.7°
C15C06N05H051165.8°143.1°
C15C06C07H071175.7°179.9°
N39N19C18H18155.6°175.0°
N39N19C20H201178.7°179.7°
C37C24C25H251178.4°179.7°
C24C37C36H361179.2°179.7°
C33C29C30C35106.0°180.0°
C29C33C32H321118.3°144.0°
C29C33C32H322120.7°92.4°
C29C33H331H332121.5°122.2°
C35C30C31H31118.8°78.1°
C35C30C31H312140.1°44.1°
C30C35C36H3610.8°0.1°
C42C40C18H18146.6°62.4°
C40C42C02H021100.2°62.9°
C42C40O41H41159.0°60.4°
C40C42O43H43156.1°180.0°
H141C14C13H1311.2°0.0°
H141C14C15H1514.6°0.4°
H181C18C40H40174.4°57.5°
H011O01C02H02163.3°52.3°
H021C02C03H031148.4°177.6°
H021C02C42H42120.9°56.9°
H311C31C32H32120.3°25.0°
H311C31C32H322100.6°148.6°
H312C31C32H321141.6°97.1°
H312C31C32H32220.7°26.5°
H321C32C33H3311.2°97.1°
H321C32C33H332122.1°25.1°
H322C32C33H331119.7°26.5°
H322C32C33H3321.2°148.7°
H361C36C37H3710.8°0.1°
H401C40O41H41159.9°59.8°
H401C40C42H42179.5°63.3°
H421C42O43H43162.9°59.8°

262513

PDB entries from 2026-11-04

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