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SummaryGeometryRelated PDB entries

A1JTO

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02O01sing1.43Å1.48Å
C06N05sing1.40Å1.46Å
C07C06doub1.39Å1.38ÅAromatic
C08C07sing1.38Å1.38ÅAromatic
C09C08doub1.38Å1.39ÅAromatic
O11S10doub1.42Å1.48Å
N12S10sing1.66Å1.59Å
O13S10doub1.42Å1.45Å
S10C09sing1.76Å1.77Å
C14C09sing1.38Å1.38ÅAromatic
C15C14doub1.38Å1.36ÅAromatic
N05C04sing1.35Å1.40Å
O16C04doub1.21Å1.22Å
C04C03sing1.51Å1.52Å
O17C03sing1.43Å1.48Å
C18O17sing1.43Å1.45Å
C20N19sing1.35Å1.33ÅAromatic
C21C20doub1.35Å1.41ÅAromatic
O23C22sing1.43Å1.42Å
C24O23sing1.36Å1.42Å
C25C24doub1.39Å1.42ÅAromatic
C26C25sing1.39Å1.41ÅAromatic
C28O27sing1.34Å1.46Å
C30C29doub1.36Å1.46Å
C31C30sing1.51Å1.54Å
F32C31sing1.40Å1.37Å
F33C31sing1.40Å1.38Å
F34C31sing1.40Å1.38Å
C29C28sing1.41Å1.51Å
O35C28doub1.22Å1.19Å
O27C26sing1.35Å1.51Å
C36C26doub1.41Å1.44ÅAromatic
C37C36sing1.40Å1.41ÅAromatic
C38C37doub1.37Å1.41ÅAromatic
C22C21sing1.51Å1.52Å
N39C21sing1.34Å1.35ÅAromatic
N40N39doub1.29Å1.39ÅAromatic
N19C18sing1.47Å1.40Å
C41C18sing1.53Å1.53Å
O42C41sing1.43Å1.43Å
C03C02sing1.53Å1.52Å
C43C02sing1.53Å1.51Å
O44C43sing1.43Å1.47Å
C06C15sing1.39Å1.38ÅAromatic
N19N40sing1.29Å1.38ÅAromatic
C24C38sing1.39Å1.46ÅAromatic
C30C36sing1.46Å1.52Å
C41C43sing1.53Å1.47Å
N12H121sing0.97Å1.00Å
N12H122sing0.97Å1.00Å
C15H151sing1.08Å1.08Å
C20H201sing1.08Å1.08Å
C22H221sing1.09Å1.10Å
C22H222sing1.09Å1.10Å
O01H011sing0.97Å0.95Å
C02H021sing1.09Å1.10Å
C03H031sing1.09Å1.10Å
N05H051sing0.97Å1.00Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C14H141sing1.08Å1.08Å
C18H181sing1.09Å1.10Å
C25H251sing1.08Å1.08Å
C29H291sing1.08Å1.08Å
C37H371sing1.08Å1.08Å
C38H381sing1.08Å1.08Å
C41H411sing1.09Å1.10Å
O42H421sing0.97Å0.95Å
C43H431sing1.09Å1.10Å
O44H441sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C02C03105.1°109.5°
O01C02C43118.9°109.6°
C02O01H011109.5°114.0°
O01C02H021106.2°109.5°
N05C06C07124.3°120.1°
C06N05C04122.9°120.0°
N05C06C15116.2°120.1°
C06N05H051118.6°119.9°
C06C07C08119.2°119.9°
C07C06C15119.3°119.8°
C06C07H071120.4°120.1°
C07C08C09121.4°120.0°
C08C07H071120.4°120.0°
C07C08H081119.3°119.9°
C08C09S10118.6°119.9°
C08C09C14118.0°120.2°
C09C08H081119.3°120.0°
O11S10N12108.4°106.4°
O11S10O13115.4°123.2°
O11S10C09107.1°106.4°
N12S10O13109.0°106.4°
N12S10C09111.1°107.2°
S10N12H121109.5°120.0°
S10N12H122109.5°120.0°
O13S10C09105.9°106.4°
S10C09C14123.3°119.9°
C09C14C15120.6°120.1°
C09C14H141119.7°119.9°
C14C15C06121.4°120.0°
C14C15H151119.3°120.0°
C15C14H141119.7°120.0°
N05C04O16129.5°120.0°
N05C04C03109.0°120.0°
C04N05H051118.6°120.0°
O16C04C03121.5°120.0°
C04C03O17109.5°109.5°
C04C03C02110.3°109.5°
C04C03H031110.1°109.5°
C03O17C18107.5°114.1°
O17C03C02106.2°109.4°
O17C03H031110.6°109.5°
O17C18N19104.9°109.4°
O17C18C41110.5°109.4°
O17C18H181107.3°109.4°
N19C20C21104.1°106.2°
C20N19C18124.2°125.9°
C20N19N40112.5°108.3°
N19C20H201128.0°126.9°
C20C21C22127.0°126.8°
C20C21N39110.7°106.5°
C21C20H201128.0°126.9°
C22O23C24114.1°117.0°
O23C22C21103.4°109.5°
O23C22H221111.0°109.5°
O23C22H222110.9°109.5°
O23C24C25117.9°119.7°
O23C24C38122.0°119.7°
C24C25C26119.2°119.8°
C25C24C38120.2°120.5°
C24C25H251120.4°120.1°
C25C26O27120.4°120.7°
C25C26C36120.0°119.4°
C26C25H251120.4°120.1°
O27C28C29118.1°121.7°
O27C28O35120.6°119.1°
C28O27C26117.3°121.4°
C29C30C31114.5°120.9°
C30C29C28112.9°119.8°
C29C30C36112.3°118.2°
C30C29H291123.5°120.1°
C30C31F32106.5°109.5°
C30C31F33109.8°109.5°
C30C31F34111.8°109.5°
C31C30C36117.5°120.9°
F32C31F33108.3°109.4°
F32C31F34112.9°109.5°
F33C31F34107.5°109.4°
C29C28O35121.2°119.2°
C28C29H291123.6°120.0°
O27C26C36119.5°119.9°
C26C36C37121.1°120.1°
C26C36C30117.6°119.0°
C36C37C38119.1°119.7°
C37C36C30121.3°121.0°
C36C37H371120.4°120.1°
C37C38C24120.4°120.5°
C38C37H371120.5°120.1°
C37C38H381119.8°119.7°
C22C21N39122.2°126.8°
C21C22H221110.9°109.5°
C21C22H222111.0°109.4°
C21N39N40107.1°108.9°
N39N40N19105.6°110.2°
N19C18C41119.5°109.5°
C18N19N40123.3°125.9°
N19C18H181107.9°109.5°
C18C41O42113.1°109.6°
C18C41C43119.3°109.2°
C41C18H181106.3°109.5°
C18C41H411102.1°109.5°
O42C41C43113.7°109.5°
O42C41H411103.0°109.6°
C41O42H421109.5°114.0°
C03C02C43113.9°109.2°
C03C02H021105.8°109.5°
C02C03H031110.1°109.4°
C02C43O44107.8°109.4°
C02C43C41112.6°109.0°
C43C02H021106.0°109.5°
C02C43H431109.1°109.6°
O44C43C41108.1°109.6°
O44C43H431109.6°109.6°
C43O44H441109.5°114.0°
C06C15H151119.3°120.0°
C24C38H381119.8°119.8°
C43C41H411102.7°109.5°
C41C43H431109.6°109.6°
H121N12H122109.4°120.0°
H221C22H222109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C02C03C0464.2°62.4°
O01C02C03O17177.3°177.5°
O01C02C03C43131.9°120.0°
O01C02C03H021112.1°120.1°
O01C02C43H021119.3°120.1°
O01C02C43O443.9°57.0°
O01C02C43C41115.3°176.9°
O01C02C03H03157.5°57.6°
O01C02C43H431122.8°63.2°
N05C06C07C15175.4°179.9°
N05C06C07C08177.8°180.0°
N05C06C15C14178.0°180.0°
C06N05C04H051180.0°180.0°
C06N05C04O164.4°4.9°
C06N05C04C03176.8°175.1°
N05C06C15H1512.0°0.2°
N05C06C07H0712.2°0.1°
C06C07C08H071180.0°179.9°
C06C07C08C092.3°0.1°
C07C06C15C142.3°0.0°
C07C06N05C0423.4°36.8°
C07C06C15H151177.7°179.7°
C07C06N05H051156.6°143.3°
C06C07C08H081177.7°180.0°
C07C08C09H081180.0°179.9°
C07C08C09S10179.3°180.0°
C07C08C09C141.7°0.1°
C08C07C06C152.5°0.1°
C08C09S10O11108.8°23.5°
C08C09S10N12133.1°90.0°
C08C09S10O1314.9°156.4°
C08C09S10C14178.9°179.9°
C08C09C14C151.5°0.1°
C09C08C07H071177.8°180.0°
C08C09C14H141178.5°179.7°
O11S10N12O13126.3°132.9°
O11S10N12C09117.4°113.5°
O11S10O13C09118.3°123.0°
O11S10C09C1470.1°156.5°
O11S10N12H121180.0°113.5°
O11S10N12H12260.0°66.8°
N12S10O13C09119.6°114.1°
N12S10C09C1448.1°90.0°
S10N12H121H122120.0°179.7°
O13S10C09C14166.2°23.5°
O13S10N12H12153.7°113.5°
O13S10N12H122173.7°66.2°
S10C09C14C15179.7°180.0°
C09S10N12H12162.6°0.0°
C09S10N12H12257.4°179.7°
S10C09C08H0810.7°0.1°
S10C09C14H1410.3°0.3°
C09C14C15H141180.0°179.7°
C09C14C15C061.8°0.1°
C09C14C15H151178.2°179.7°
C14C09C08H081178.3°180.0°
C14C15C06H151180.0°179.8°
N05C04O16C03178.8°180.0°
N05C04C03O1736.9°162.2°
N05C04C03C0279.6°77.8°
C04N05C06C15152.1°143.2°
N05C04C03H031158.7°42.1°
O16C04C03O17142.1°17.8°
O16C04C03C02101.4°102.2°
O16C04C03H03120.3°137.9°
O16C04N05H051175.6°175.1°
C04C03O17C02119.0°120.0°
C04C03O17H031121.5°120.1°
C04C03O17C18163.6°178.8°
C04C03C02H031121.7°120.0°
C04C03C02C43163.9°177.6°
C04C03C02H02147.9°57.7°
C03C04N05H0513.2°4.9°
C03O17C18N19178.3°178.9°
C03O17C18C4148.3°61.2°
O17C03C02H031119.8°120.0°
O17C03C02C4345.4°57.5°
O17C03C02H02170.6°62.4°
C03O17C18H18167.1°58.8°
O17C18N19C20116.8°115.0°
O17C18N19C41124.4°119.9°
O17C18N19H181114.1°120.0°
O17C18C41H181116.1°120.0°
O17C18C41O42147.3°62.3°
C18O17C03C0277.3°61.1°
O17C18N19N4062.4°65.1°
O17C18C41C439.5°57.7°
C18O17C03H03142.1°58.8°
O17C18C41H411102.7°177.5°
N19C20C21H201180.0°179.8°
N19C20C21C22179.0°180.0°
N19C20C21N390.0°0.0°
C20N19N40N390.9°0.4°
C20N19C18N40179.2°179.9°
C20N19C18C41118.8°125.1°
C20N19C18H1812.7°5.0°
C20C21C22O23179.0°0.1°
C20C21C22N39178.8°179.9°
C20C21N39N400.6°0.3°
C21C20N19C18179.8°179.8°
C21C20N19N400.6°0.2°
C20C21C22H22162.0°120.0°
C20C21C22H22260.0°120.0°
C22O23C24C25168.3°179.7°
O23C22C21H221119.0°120.0°
O23C22C21H222119.0°120.0°
O23C22C21N390.1°180.0°
C22O23C24C3811.5°0.0°
O23C22H221H222122.8°120.0°
O23C24C25C38179.8°179.7°
O23C24C25C26179.3°180.0°
O23C24C38C37179.8°180.0°
C24O23C22C21167.1°180.0°
C24O23C22H22148.1°60.0°
C24O23C22H22273.9°60.0°
O23C24C25H2510.7°0.0°
O23C24C38H3810.2°0.0°
C24C25C26H251180.0°180.0°
C24C25C26O27180.0°180.0°
C24C25C26C360.7°0.1°
C25C24C38C370.4°0.3°
C25C24C38H381179.6°179.7°
C25C26O27C28162.7°180.0°
C25C26O27C36179.3°179.9°
C25C26C36C370.1°0.2°
C26C25C24C380.9°0.3°
C25C26C36C30179.8°180.0°
O27C28C29C3038.0°0.0°
O27C28C29O35178.0°179.9°
C28O27C26C3617.9°0.0°
O27C28C29H291142.0°180.0°
C29C30C31C36135.1°179.9°
C29C30C31F3268.9°0.0°
C29C30C31F3348.2°120.0°
C29C30C31F34167.5°120.0°
C30C29C28H291180.0°180.0°
C30C29C28O35140.0°179.9°
C29C30C36C2636.0°0.1°
C29C30C36C37144.1°179.7°
C30C31F32F33118.0°120.0°
C30C31F32F34123.0°120.0°
C30C31F33F34121.8°120.0°
C31C30C29C2882.9°180.0°
C31C30C36C26100.0°179.9°
C31C30C36C3779.9°0.3°
C31C30C29H29197.1°0.0°
F32C31F33F34122.3°120.0°
F32C31C30C36156.0°179.9°
F33C31C30C3686.9°60.0°
F34C31C30C3632.3°60.0°
C29C28O27C261.4°0.0°
C28C29C30C3654.5°0.1°
O35C28O27C26176.6°179.9°
O35C28C29H29140.0°0.1°
O27C26C36C37179.4°179.7°
O27C26C36C300.5°0.1°
O27C26C25H2510.0°0.1°
C26C36C37C30179.9°179.8°
C26C36C37C380.3°0.3°
C36C26C25H251179.3°180.0°
C26C36C37H371179.6°179.7°
C36C37C38H371180.0°180.0°
C36C37C38C240.2°0.0°
C36C37C38H381179.8°180.0°
C37C38C24H381180.0°180.0°
C38C37C36C30179.7°180.0°
C22C21N39N40179.6°179.8°
C22C21C20H2011.0°0.2°
C21C22H221H222122.8°120.0°
C21N39N40N190.9°0.4°
N39C21C20H201180.0°179.8°
N39C21C22H221119.2°60.0°
N39C21C22H222118.9°60.0°
N39N40N19C18179.8°179.6°
N19C18C41H181122.2°120.1°
N19C18C41O4225.6°57.6°
N19C18C41C43112.3°177.6°
C18N19C20H2010.2°0.0°
N19C18C41H411135.6°62.6°
C18C41O42C43140.3°119.8°
C18C41O42H411109.4°120.1°
C18C41C43C0239.1°57.0°
C18C41C43O44158.0°62.8°
C41C18N19N4062.1°54.8°
C18C41C43H411111.9°119.9°
C18C41O42H421180.0°180.0°
C18C41C43H43182.6°176.9°
O42C41C43C02176.7°63.0°
O42C41C43O4464.3°177.2°
O42C41C43H411110.5°120.2°
O42C41C18H18196.6°177.8°
O42C41C43H43155.1°56.9°
C03C02C43H021115.9°119.9°
C03C02C43O44128.6°63.0°
C03C02C43C419.5°56.9°
C03C02O01H011180.0°67.7°
C03C02C43H431112.4°176.8°
C02C43O44C41121.9°119.5°
C02C43O44H431118.6°120.2°
C02C43C41H431121.6°119.9°
C43C02O01H01151.1°172.5°
C43C02C03H03174.4°62.4°
C02C43C41H41172.8°176.8°
C02C43O44H441180.0°60.5°
O44C43C41H431119.4°120.3°
O44C43C02H021115.5°177.1°
O44C43C41H41146.2°57.0°
C15C06N05H05127.9°36.8°
C15C06C07H071177.5°180.0°
C06C15C14H141178.2°179.7°
N40N19C20H201179.4°180.0°
N40N19C18H181176.5°175.0°
C38C24C25H251179.1°179.7°
C24C38C37H371179.8°180.0°
C36C30C29H291125.5°180.0°
C30C36C37H3710.3°0.0°
C41C43C02H021125.4°63.0°
C43C41C18H181125.5°62.3°
C43C41O42H42139.7°60.3°
C41C43O44H44158.1°180.0°
H151C15C14H1411.8°0.1°
H011O01C02H02168.2°52.3°
H021C02C03H031169.6°177.6°
H021C02C43H4313.5°56.9°
H071C07C08H0812.3°0.1°
H181C18C41H41113.3°57.6°
H371C37C38H3810.2°0.0°
H411C41O42H42170.6°59.8°
H411C41C43H431165.6°63.3°
H431C43O44H44161.4°59.7°

262513

PDB entries from 2026-11-04

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