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SummaryGeometryRelated PDB entries

J9S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O01C02doub1.22Å1.22Å
C02C07sing1.41Å1.48Å
C02N03sing1.34Å1.41Å
C07C06doub1.36Å1.39Å
N03C04sing1.38Å1.43Å
C06C05sing1.46Å1.48Å
C04C05doub1.41Å1.42ÅAromatic
C04C37sing1.39Å1.44ÅAromatic
C05C08sing1.40Å1.45ÅAromatic
C37C36doub1.38Å1.41ÅAromatic
C08C09doub1.37Å1.40ÅAromatic
C36C09sing1.39Å1.44ÅAromatic
C09S10sing1.76Å1.91Å
O35S10doub1.42Å1.41Å
C23C24doub1.33Å1.37ÅAromatic
C23C22sing1.38Å1.44ÅAromatic
C24S25sing1.76Å1.74ÅAromatic
S10O11doub1.42Å1.41Å
S10N12sing1.66Å1.68Å
C22C21doub1.33Å1.38ÅAromatic
S25C21sing1.76Å1.77ÅAromatic
N12C13sing1.46Å1.51Å
C21C20sing1.51Å1.58Å
O26C14doub1.21Å1.27Å
C14C13sing1.51Å1.65Å
C14N15sing1.35Å1.38Å
C16N15sing1.46Å1.48Å
C16C17sing1.51Å1.64Å
C13C27sing1.51Å1.58Å
N15C20sing1.47Å1.56Å
O29C30sing1.43Å1.46Å
O29C28sing1.36Å1.40Å
C17O19doub1.21Å1.26Å
C17O18sing1.34Å1.26Å
C27C28doub1.39Å1.43ÅAromatic
C27C34sing1.38Å1.43ÅAromatic
C28C31sing1.39Å1.41ÅAromatic
C34C33doub1.38Å1.42ÅAromatic
C31C32doub1.38Å1.41ÅAromatic
C33C32sing1.38Å1.40ÅAromatic
N12H121sing0.97Å1.00Å
C13H131sing1.09Å1.10Å
C20H202sing1.09Å1.10Å
C20H201sing1.09Å1.10Å
C22H221sing1.08Å1.08Å
C24H241sing1.08Å1.08Å
N03H031sing0.97Å1.00Å
C06H061sing1.08Å1.08Å
C07H071sing1.08Å1.08Å
C08H081sing1.08Å1.08Å
C16H162sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
O18H1sing0.97Å0.95Å
C23H231sing1.08Å1.08Å
C30H303sing1.09Å1.10Å
C30H302sing1.09Å1.10Å
C30H301sing1.09Å1.10Å
C31H311sing1.08Å1.08Å
C32H321sing1.08Å1.08Å
C33H331sing1.08Å1.08Å
C34H341sing1.08Å1.08Å
C36H361sing1.08Å1.08Å
C37H371sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C02C07123.6°119.2°
O01C02N03118.1°119.2°
C07C02N03118.2°121.6°
C02C07C06120.5°120.3°
C02C07H071119.8°119.9°
C02N03C04121.9°121.0°
C02N03H031119.0°119.5°
C07C06C05120.6°118.5°
C07C06H061119.7°120.8°
C06C07H071119.8°119.8°
N03C04C05119.9°119.6°
N03C04C37121.4°121.0°
C04N03H031119.1°119.5°
C06C05C04118.9°119.0°
C06C05C08123.7°121.1°
C05C06H061119.7°120.7°
C05C04C37118.7°119.4°
C04C05C08117.3°119.9°
C04C37C36121.4°119.8°
C04C37H371119.3°120.1°
C05C08C09125.3°119.7°
C05C08H081117.3°120.2°
C37C36C09121.8°120.7°
C37C36H361119.1°119.7°
C36C37H371119.3°120.1°
C08C09C36115.4°120.6°
C08C09S10123.4°119.7°
C09C08H081117.3°120.1°
C36C09S10121.1°119.8°
C09C36H361119.1°119.6°
C09S10O35108.9°106.4°
C09S10O11103.3°106.4°
C09S10N12104.3°107.2°
O35S10O11115.3°123.2°
O35S10N12115.2°106.4°
C24C23C22113.9°114.9°
C23C24S25108.4°109.6°
C23C24H241125.8°125.2°
C24C23H231123.0°122.6°
C23C22C21116.1°114.9°
C23C22H221122.0°122.5°
C22C23H231123.1°122.6°
C24S25C2195.8°91.0°
S25C24H241125.8°125.2°
O11S10N12108.6°106.4°
S10N12C13117.7°120.0°
S10N12H121107.4°120.0°
C22C21S25105.7°109.6°
C22C21C20132.9°125.2°
C21C22H221121.9°122.6°
S25C21C20121.4°125.2°
N12C13C14110.4°109.5°
N12C13C27113.3°109.5°
C13N12H121107.4°120.0°
N12C13H131107.4°109.5°
C21C20N15118.0°109.5°
C21C20H202107.3°109.5°
C21C20H201107.3°109.5°
O26C14C13107.7°120.0°
O26C14N15124.7°120.0°
C13C14N15127.6°120.0°
C14C13C27112.6°109.5°
C14C13H131106.0°109.5°
C14N15C16122.0°120.0°
C14N15C20125.1°120.0°
N15C16C17112.7°109.5°
C16N15C20112.9°120.0°
N15C16H162108.7°109.4°
N15C16H161108.6°109.5°
C16C17O19119.4°120.0°
C16C17O18115.9°120.0°
C17C16H162108.7°109.5°
C17C16H161108.6°109.5°
C13C27C28121.6°120.1°
C13C27C34121.2°120.0°
C27C13H131106.7°109.4°
N15C20H202107.3°109.5°
N15C20H201107.3°109.5°
C30O29C28122.4°117.0°
O29C30H303109.5°109.5°
O29C30H302109.5°109.5°
O29C30H301109.5°109.4°
O29C28C27115.4°120.1°
O29C28C31123.6°120.0°
O19C17O18124.7°119.9°
C17O18H1109.5°117.1°
C28C27C34117.2°119.9°
C27C28C31121.0°119.9°
C27C34C33121.7°120.0°
C27C34H341119.1°120.0°
C28C31C32120.7°119.9°
C28C31H311119.7°120.1°
C34C33C32119.5°120.1°
C34C33H331120.3°119.9°
C33C34H341119.1°120.0°
C31C32C33120.0°120.1°
C32C31H311119.7°120.0°
C31C32H321120.0°120.0°
C33C32H321120.0°120.0°
C32C33H331120.3°119.9°
H202C20H201109.5°109.4°
H162C16H161109.5°109.5°
H303C30H302109.5°109.5°
H303C30H301109.5°109.5°
H302C30H301109.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C02C07N03179.4°179.8°
O01C02C07C06179.8°179.7°
O01C02N03C04179.7°180.0°
O01C02N03H0310.3°0.1°
O01C02C07H0710.2°0.0°
C02C07C06H071180.0°179.7°
C07C02N03C040.8°0.2°
C02C07C06C050.3°0.5°
C07C02N03H031179.2°179.7°
C02C07C06H061179.7°179.7°
N03C02C07C060.4°0.5°
C02N03C04H031180.0°179.9°
C02N03C04C050.5°0.0°
C02N03C04C37179.8°180.0°
N03C02C07H071179.6°179.8°
C07C06C05H061180.0°179.8°
C07C06C05C040.7°0.3°
C07C06C05C08179.8°179.8°
N03C04C05C060.3°0.0°
N03C04C05C37179.8°180.0°
N03C04C05C08179.8°179.9°
N03C04C37C36179.2°180.0°
N03C04C37H3710.7°0.1°
C06C05C04C08179.5°180.0°
C06C05C04C37179.4°180.0°
C06C05C08C09180.0°180.0°
C05C06C07H071179.7°179.7°
C06C05C08H0810.0°0.0°
C05C04C37C360.5°0.0°
C04C05C08C090.5°0.0°
C05C04N03H031179.5°180.0°
C04C05C06H061179.3°180.0°
C04C05C08H081179.5°180.0°
C05C04C37H371179.5°180.0°
C37C04C05C080.0°0.0°
C04C37C36H371180.0°179.9°
C04C37C36C091.7°0.1°
C37C04N03H0310.2°0.1°
C04C37C36H361178.3°180.0°
C05C08C09H081180.0°180.0°
C05C08C09C361.6°0.1°
C05C08C09S10178.2°180.0°
C08C05C06H0610.2°0.0°
C37C36C09C082.1°0.1°
C37C36C09H361180.0°179.9°
C37C36C09S10178.8°180.0°
C08C09C36S10176.7°179.9°
C08C09S10O3548.2°156.4°
C08C09S10O11171.2°23.5°
C08C09S10N1275.3°90.1°
C08C09C36H361177.9°180.0°
C36C09S10O35135.4°23.5°
C36C09S10O1112.4°156.4°
C36C09S10N12101.1°90.0°
C36C09C08H081178.5°180.0°
C09C36C37H371178.4°180.0°
C09S10O35O11115.6°123.0°
C09S10O35N12116.8°114.0°
C09S10O11N12110.4°114.1°
C09S10N12C1363.0°65.0°
C09S10N12H121175.9°114.8°
S10C09C08H0811.8°0.1°
S10C09C36H3611.2°0.1°
O35S10O11N12130.9°123.0°
O35S10N12C13177.7°48.5°
O35S10N12H12156.6°131.7°
C24C23C22H231180.0°179.7°
C23C24S25H241180.0°179.6°
C24C23C22C210.2°0.0°
C23C24S25C210.0°0.4°
C24C23C22H221179.8°180.0°
C22C23C24S250.1°0.3°
C23C22C21H221180.0°180.0°
C23C22C21S250.2°0.3°
C23C22C21C20179.8°180.0°
C22C23C24H241180.0°180.0°
C24S25C21C220.1°0.4°
C24S25C21C20179.8°179.9°
S25C24C23H231179.9°180.0°
O11S10N12C1346.7°178.5°
O11S10N12H12174.4°1.2°
S10N12C13H121121.2°179.7°
S10N12C13C14115.0°144.7°
S10N12C13C27117.7°95.2°
S10N12C13H1310.1°24.7°
C22C21S25C20179.6°179.7°
C22C21C20N1570.8°90.0°
C22C21C20H20250.4°150.0°
C22C21C20H201168.0°30.0°
C21C22C23H231179.8°179.7°
S25C21C20N15108.7°90.3°
S25C21C20H202130.1°29.7°
S25C21C20H20112.5°149.7°
S25C21C22H221179.8°179.7°
C21S25C24H241179.9°180.0°
N12C13C14O2622.1°32.4°
N12C13C14C27127.7°120.0°
N12C13C14H131116.0°120.0°
N12C13C14N15159.1°147.6°
N12C13C27H131118.0°120.0°
N12C13C27C28112.5°130.9°
N12C13C27C3467.9°49.0°
C21C20N15C1487.0°90.0°
C21C20N15C1693.8°90.0°
C21C20N15H202121.2°120.0°
C21C20N15H201121.2°120.0°
C21C20H202H201116.1°120.0°
C20C21C22H2210.2°0.0°
O26C14C13N15178.8°179.9°
O26C14N15C160.3°173.0°
O26C14C13C27105.7°87.6°
O26C14N15C20179.4°6.9°
O26C14C13H131138.1°152.4°
C13C14N15C16178.3°6.9°
C14C13C27H131115.8°120.0°
C13C14N15C200.8°173.1°
C14C13C27C28121.3°109.1°
C14C13C27C3458.3°71.0°
C14C13N12H121123.9°35.0°
C14N15C16C20179.2°180.0°
C14N15C16C17113.7°99.2°
N15C14C13C2773.2°92.3°
N15C14C13H13143.1°27.6°
C14N15C20H202151.8°30.0°
C14N15C20H20134.3°150.0°
C14N15C16H1626.8°20.8°
C14N15C16H161125.8°140.8°
N15C16C17H162120.5°120.0°
N15C16C17H161120.5°120.0°
N15C16C17O19120.3°2.3°
N15C16C17O1859.0°177.7°
C16N15C20H20227.4°149.9°
C16N15C20H201144.9°30.0°
N15C16H162H161118.5°120.0°
C17C16N15C2065.5°80.7°
C16C17O19O18179.2°180.0°
C17C16H162H161118.5°120.0°
C16C17O18H1179.2°174.8°
C13C27C28O290.2°0.3°
C13C27C28C34179.7°180.0°
C13C27C28C31179.8°180.0°
C13C27C34C33179.9°180.0°
C27C13N12H1213.5°85.0°
C13C27C34H3410.1°0.0°
N15C20H202H201116.1°120.0°
C20N15C16H162174.0°159.3°
C20N15C16H16155.0°39.3°
C30O29C28C27175.5°178.3°
C30O29C28C314.5°2.0°
O29C30H303H302120.0°120.0°
O29C30H303H301120.0°120.0°
O29C30H302H301120.0°120.0°
O29C28C27C31180.0°179.7°
O29C28C27C34179.9°179.7°
O29C28C31C32179.9°179.7°
C28O29C30H303180.0°59.5°
C28O29C30H30260.0°60.5°
C28O29C30H30160.0°179.6°
O29C28C31H3110.1°0.3°
O19C17C16H162119.2°122.3°
O19C17C16H1610.2°117.8°
O19C17O18H10.0°5.2°
O18C17C16H16261.5°57.7°
O18C17C16H161179.4°62.3°
C28C27C34C330.2°0.0°
C27C28C31C320.2°0.0°
C28C27C13H1315.5°11.0°
C27C28C31H311179.8°180.0°
C28C27C34H341179.7°180.0°
C34C27C28C310.2°0.0°
C27C34C33H341180.0°179.9°
C27C34C33C320.3°0.0°
C34C27C13H131174.1°169.0°
C27C34C33H331179.7°180.0°
C28C31C32H311180.0°180.0°
C28C31C32C330.3°0.1°
C28C31C32H321179.7°180.0°
C34C33C32C310.3°0.1°
C34C33C32H331180.0°179.9°
C34C33C32H321179.6°180.0°
C31C32C33H321180.0°179.9°
C31C32C33H331179.7°180.0°
C33C32C31H311179.7°180.0°
C32C33C34H341179.6°180.0°
H121N12C13H131121.0°155.0°
H221C22C23H2310.2°0.3°
H241C24C23H2310.0°0.4°
H061C06C07H0710.4°0.0°
H303C30H302H301120.0°120.1°
H311C31C32H3210.3°0.0°
H321C32C33H3310.3°0.0°
H331C33C34H3410.3°0.1°
H361C36C37H3711.7°0.1°

223532

PDB entries from 2024-08-07

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