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SummaryGeometryRelated PDB entries

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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N01S02sing1.67Å1.66Å
N01C07sing1.45Å1.45Å
N01C08sing1.46Å1.40Å
S02N03sing1.67Å1.61Å
S02O15doub1.42Å1.44Å
S02O40doub1.42Å1.42Å
N03C04sing1.44Å1.49Å
N03C23sing1.47Å1.48Å
C04C05sing1.53Å1.52Å
C04C41sing1.53Å1.54Å
C04H04sing1.09Å1.12Å
C05C06sing1.48Å1.51Å
C05O30sing1.43Å1.41Å
C05H05sing1.09Å1.12Å
C06C07sing1.53Å1.52Å
C06O31sing1.43Å1.41Å
C06H06sing1.09Å1.11Å
C07C32sing1.53Å1.54Å
C07H07sing1.09Å1.11Å
C08C09sing1.51Å1.49Å
C08H081sing1.09Å1.12Å
C08H082sing1.09Å1.11Å
C09C10doub1.38Å1.40ÅAromatic
C09C14sing1.38Å1.42ÅAromatic
C10C11sing1.38Å1.40ÅAromatic
C10H10sing1.08Å1.10Å
C11C12doub1.38Å1.42ÅAromatic
C11H11sing1.08Å1.10Å
C12C13sing1.38Å1.41ÅAromatic
C12H12sing1.08Å1.10Å
C13C14doub1.38Å1.41ÅAromatic
C13H13sing1.08Å1.10Å
C14H14sing1.08Å1.10Å
O16C17sing1.36Å1.36Å
O16C41sing1.43Å1.45Å
C17C18doub1.39Å1.41ÅAromatic
C17C22sing1.39Å1.40ÅAromatic
C18C19sing1.38Å1.40ÅAromatic
C18H18sing1.08Å1.10Å
C19C20doub1.38Å1.41ÅAromatic
C19H19sing1.08Å1.10Å
C20C21sing1.38Å1.41ÅAromatic
C20H20sing1.08Å1.10Å
C21C22doub1.38Å1.40ÅAromatic
C21H21sing1.08Å1.10Å
C22H22sing1.08Å1.10Å
C23C24sing1.51Å1.50Å
C23H231sing1.09Å1.11Å
C23H232sing1.09Å1.12Å
C24C25doub1.38Å1.42ÅAromatic
C24C29sing1.38Å1.41ÅAromatic
C25C26sing1.38Å1.42ÅAromatic
C25H25sing1.08Å1.10Å
C26C27doub1.38Å1.41ÅAromatic
C26H26sing1.08Å1.10Å
C27C28sing1.38Å1.41ÅAromatic
C27H27sing1.08Å1.10Å
C28C29doub1.38Å1.41ÅAromatic
C28H28sing1.08Å1.10Å
C29H29sing1.08Å1.10Å
O30HO3sing0.97Å0.95Å
O31HO1sing0.97Å0.95Å
C32O33sing1.43Å1.45Å
C32H321sing1.09Å1.12Å
C32H322sing1.09Å1.12Å
O33C34sing1.36Å1.35Å
C34C35doub1.39Å1.41ÅAromatic
C34C39sing1.39Å1.39ÅAromatic
C35C36sing1.38Å1.40ÅAromatic
C35H35sing1.08Å1.10Å
C36C37doub1.38Å1.40ÅAromatic
C36H36sing1.08Å1.10Å
C37C38sing1.38Å1.40ÅAromatic
C37H37sing1.08Å1.10Å
C38C39doub1.38Å1.41ÅAromatic
C38H38sing1.08Å1.10Å
C39H39sing1.08Å1.10Å
C41H411sing1.09Å1.11Å
C41H412sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
S02N01C07127.2°119.5°
S02N01C08113.5°120.2°
N01S02N03100.9°106.9°
N01S02O15112.6°105.8°
N01S02O40107.9°105.9°
C07N01C08111.2°120.3°
N01C07C06100.6°111.2°
N01C07C32111.6°109.1°
N01C07H07119.6°109.1°
N01C08C09133.2°109.5°
N01C08H081104.0°109.5°
N01C08H082104.1°109.4°
N03S02O15108.4°105.8°
N03S02O40107.2°106.0°
S02N03C04113.9°119.4°
S02N03C23118.3°120.3°
O15S02O40118.3°125.4°
C04N03C23124.1°120.3°
N03C04C05111.4°111.3°
N03C04C41112.2°109.2°
N03C04H04107.0°109.2°
N03C23C24119.1°109.5°
N03C23H231108.7°109.5°
N03C23H232108.7°109.4°
C05C04C41111.5°108.9°
C05C04H04107.6°109.1°
C04C05C06114.7°113.4°
C04C05O30109.8°108.7°
C04C05H05104.5°108.7°
C41C04H04106.9°109.2°
C04C41O16109.9°109.5°
C04C41H411112.1°109.5°
C04C41H412112.1°109.5°
C06C05O30106.1°108.7°
C06C05H05108.4°108.7°
C05C06C07116.6°113.5°
C05C06O31107.1°108.7°
C05C06H06107.1°108.7°
O30C05H05113.5°108.6°
C05O30HO3109.8°106.8°
C07C06O31111.9°108.6°
C07C06H06101.8°108.7°
C06C07C32122.4°109.2°
C06C07H07108.0°109.1°
O31C06H06112.3°108.6°
C06O31HO1107.1°106.8°
C32C07H0796.1°109.1°
C07C32O33105.3°109.5°
C07C32H321113.8°109.4°
C07C32H322113.8°109.5°
C09C08H081104.1°109.5°
C09C08H082104.0°109.5°
C08C09C10121.0°120.0°
C08C09C14119.0°120.0°
H081C08H082104.7°109.4°
C10C09C14120.0°120.0°
C09C10C11120.2°120.0°
C09C10H10120.0°120.0°
C09C14C13120.4°120.0°
C09C14H14120.0°120.0°
C11C10H10119.7°120.0°
C10C11C12120.0°120.0°
C10C11H11119.0°120.0°
C12C11H11121.0°120.0°
C11C12C13120.4°120.1°
C11C12H12120.3°120.0°
C13C12H12119.3°120.0°
C12C13C14119.0°120.0°
C12C13H13120.4°120.0°
C14C13H13120.7°120.0°
C13C14H14119.6°120.0°
C17O16C41119.5°106.8°
O16C17C18120.2°120.0°
O16C17C22120.3°120.0°
O16C41H411112.0°109.4°
O16C41H412112.0°109.4°
C18C17C22119.5°119.9°
C17C18C19120.3°119.9°
C17C18H18120.1°120.0°
C17C22C21120.8°119.9°
C17C22H22119.8°120.1°
C19C18H18119.6°120.0°
C18C19C20119.4°120.1°
C18C19H19119.9°120.0°
C20C19H19120.6°119.9°
C19C20C21120.4°120.1°
C19C20H20120.1°120.0°
C21C20H20119.5°120.0°
C20C21C22119.6°120.1°
C20C21H21120.5°120.0°
C22C21H21120.0°120.0°
C21C22H22119.4°120.0°
C24C23H231108.8°109.5°
C24C23H232108.7°109.5°
C23C24C25120.8°120.0°
C23C24C29120.1°120.0°
H231C23H232101.3°109.5°
C25C24C29119.2°120.0°
C24C25C26120.4°120.0°
C24C25H25119.6°120.0°
C24C29C28120.7°120.0°
C24C29H29119.4°120.0°
C26C25H25120.0°120.0°
C25C26C27119.9°120.0°
C25C26H26120.5°120.0°
C27C26H26119.6°119.9°
C26C27C28119.6°120.0°
C26C27H27120.1°120.1°
C28C27H27120.3°120.0°
C27C28C29120.3°120.0°
C27C28H28119.8°120.0°
C29C28H28119.9°120.0°
C28C29H29120.0°120.0°
O33C32H321113.8°109.5°
O33C32H322113.7°109.5°
C32O33C34120.0°106.8°
H321C32H32296.6°109.4°
O33C34C35120.9°120.1°
O33C34C39120.3°120.0°
C35C34C39118.8°119.9°
C34C35C36121.4°119.9°
C34C35H35119.6°120.1°
C34C39C38120.4°119.9°
C34C39H39119.1°120.0°
C36C35H35119.1°120.0°
C35C36C37119.5°120.0°
C35C36H36120.4°119.9°
C37C36H36120.2°120.0°
C36C37C38119.6°120.1°
C36C37H37120.1°119.9°
C38C37H37120.3°119.9°
C37C38C39120.3°120.0°
C37C38H38119.6°120.0°
C39C38H38120.1°120.0°
C38C39H39120.5°120.1°
H411C41H41298.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
S02N01C07C08146.2°179.9°
N01S02N03O15118.5°112.4°
N01S02N03O40112.7°112.6°
N01S02O15O40127.0°123.3°
N01S02N03C0475.9°39.2°
N01S02N03C2383.7°140.8°
S02N01C07C0673.6°87.5°
S02N01C07C3257.6°152.1°
S02N01C07H07168.5°32.9°
S02N01C08C09118.9°94.4°
S02N01C08H081115.8°25.7°
S02N01C08H0826.4°145.6°
C07N01S02N0359.0°39.1°
C07N01S02O1556.4°73.4°
C07N01S02O40171.2°151.7°
N01C07C06C0593.0°80.1°
N01C07C06C32124.1°120.4°
N01C07C06H07126.1°120.4°
N01C07C06O31143.2°40.8°
N01C07C06H0623.1°158.8°
N01C07C32H07125.2°119.1°
C07N01C08C0990.1°85.5°
C07N01C08H08135.2°154.4°
C07N01C08H082144.6°34.5°
N01C07C32O3366.9°58.4°
N01C07C32H321167.9°178.4°
N01C07C32H32258.4°61.7°
C08N01S02N03155.5°140.8°
C08N01S02O1589.1°106.8°
C08N01S02O4043.3°28.1°
C08N01C07C06140.2°92.3°
C08N01C07C3288.5°28.1°
C08N01C07H0722.3°147.2°
N01C08C09H081125.3°120.0°
N01C08C09H082125.3°120.0°
N01C08H081H082108.9°119.9°
N01C08C09C10144.8°80.3°
N01C08C09C1434.5°100.1°
N03S02O15O40122.2°123.4°
S02N03C04C23158.2°180.0°
S02N03C04C0593.7°87.7°
S02N03C04C41140.5°152.0°
S02N03C04H0423.7°32.8°
S02N03C23C24113.9°94.7°
S02N03C23H231120.9°25.3°
S02N03C23H23211.4°145.3°
O15S02N03C0442.6°151.6°
O15S02N03C23157.8°28.3°
O40S02N03C04171.4°73.4°
O40S02N03C2329.0°106.6°
N03C04C05C41126.1°120.4°
N03C04C05H04117.0°120.5°
N03C04C41H04116.9°119.3°
N03C04C05C0631.1°80.2°
N03C04C05O3088.2°40.7°
N03C04C05H05149.7°158.8°
N03C04C41O16132.9°63.5°
C04N03C23C2488.8°85.2°
C04N03C23H23136.5°154.7°
C04N03C23H232146.0°34.7°
N03C04C41H411101.8°176.5°
N03C04C41H4127.7°56.5°
C23N03C04C0564.5°92.3°
C23N03C04C4161.3°28.0°
C23N03C04H04178.1°147.2°
N03C23C24H231125.2°120.0°
N03C23C24H232125.2°120.0°
N03C23H231H232114.4°120.0°
N03C23C24C2573.8°80.5°
N03C23C24C29105.7°99.9°
C05C04C41H04117.4°119.0°
C04C05C06O30121.4°120.9°
C04C05C06H05116.4°121.0°
C04C05O30H05116.6°118.1°
C04C05C06C0757.0°66.7°
C04C05C06O31176.9°54.2°
C04C05C06H0656.2°172.2°
C05C04C41O16101.4°174.8°
C04C05O30HO3180.0°178.1°
C05C04C41H41123.9°54.8°
C05C04C41H412133.4°65.2°
C41C04C05C06157.3°159.4°
C41C04C05O3037.9°79.7°
C41C04C05H0584.2°38.4°
C04C41O16C17179.8°178.8°
C04C41O16H411125.3°120.0°
C04C41O16H412125.3°120.1°
C04C41H411H412118.0°120.1°
H04C04C05C0685.8°40.3°
H04C04C05O30154.8°161.2°
H04C04C05H0532.7°80.7°
H04C04C41O1616.0°55.7°
H04C04C41H411141.3°64.2°
H04C04C41H412109.2°175.7°
C06C05O30H05118.9°118.1°
C05C06C07O31123.8°120.9°
C05C06C07H06116.1°121.1°
C05C06O31H06117.3°118.1°
C05C06C07C3231.1°159.5°
C05C06C07H07140.9°40.3°
C06C05O30HO355.5°58.1°
C05C06O31HO1179.9°60.0°
O30C05C06C07178.4°54.2°
O30C05C06O3155.5°175.1°
O30C05C06H0665.2°66.9°
H05C05C06C0759.4°172.3°
H05C05C06O3166.7°66.8°
H05C05C06H06172.6°51.2°
H05C05O30HO363.4°60.0°
C07C06O31H06113.8°118.0°
C06C07C32H07115.9°119.2°
C07C06O31HO151.0°176.2°
C06C07C32O33174.2°180.0°
C06C07C32H32148.9°60.0°
C06C07C32H32260.6°59.9°
O31C06C07C3292.6°79.5°
O31C06C07H0717.2°161.3°
H06C06C07C32147.2°38.5°
H06C06C07H07103.0°80.7°
H06C06O31HO162.8°58.1°
C07C32O33H321125.3°120.0°
C07C32O33H322125.3°120.1°
C07C32H321H322119.8°120.0°
C07C32O33C3497.1°180.0°
H07C07C32O3358.3°60.8°
H07C07C32H32166.9°59.2°
H07C07C32H322176.4°179.1°
C09C08H081H082108.9°120.0°
C08C09C10C14179.3°179.7°
C08C09C10C11179.7°180.0°
C08C09C10H100.4°0.0°
C08C09C14C13179.6°179.8°
C08C09C14H140.4°0.3°
H081C08C09C1019.5°39.8°
H081C08C09C14159.8°139.9°
H082C08C09C1089.9°159.8°
H082C08C09C1490.8°19.9°
C09C10C11H10180.0°180.0°
C09C10C11C120.1°0.0°
C09C10C11H11179.8°180.0°
C10C09C14C130.3°0.5°
C10C09C14H14179.7°180.0°
C14C09C10C110.3°0.3°
C14C09C10H10179.7°179.7°
C09C14C13C120.0°0.4°
C09C14C13H14180.0°179.6°
C09C14C13H13180.0°179.7°
C10C11C12H11180.0°180.0°
C10C11C12C130.1°0.0°
C10C11C12H12179.9°180.0°
H10C10C11C12179.9°179.9°
H10C10C11H110.1°0.1°
C11C12C13H12180.0°180.0°
C11C12C13C140.2°0.2°
C11C12C13H13179.8°179.9°
H11C11C12C13179.9°180.0°
H11C11C12H120.1°0.0°
C12C13C14H13180.0°179.9°
C12C13C14H14180.0°180.0°
H12C12C13C14179.8°179.8°
H12C12C13H130.2°0.1°
H13C13C14H140.0°0.1°
O16C17C18C22179.5°179.7°
O16C17C18C19179.7°180.0°
O16C17C18H180.3°0.1°
O16C17C22C21179.4°179.8°
O16C17C22H220.6°0.2°
C17O16C41H41154.6°61.2°
C17O16C41H41254.9°58.8°
C41O16C17C1830.4°176.6°
C41O16C17C22150.1°3.1°
O16C41H411H412117.9°119.9°
C17C18C19H18180.0°180.0°
C17C18C19C200.3°0.0°
C17C18C19H19179.7°179.9°
C18C17C22C210.1°0.5°
C18C17C22H22179.9°179.9°
C22C17C18C190.2°0.3°
C22C17C18H18179.8°179.8°
C17C22C21C200.2°0.5°
C17C22C21H22180.0°179.6°
C17C22C21H21179.8°179.7°
C18C19C20H19180.0°179.9°
C18C19C20C210.2°0.1°
C18C19C20H20179.8°180.0°
H18C18C19C20179.7°180.0°
H18C18C19H190.3°0.0°
C19C20C21H20179.9°179.9°
C19C20C21C220.1°0.2°
C19C20C21H21179.9°179.9°
H19C19C20C21179.9°180.0°
H19C19C20H200.2°0.1°
C20C21C22H21180.0°179.9°
C20C21C22H22179.8°180.0°
H20C20C21C22179.9°179.8°
H20C20C21H210.1°0.1°
H21C21C22H220.2°0.1°
C24C23H231H232114.5°120.0°
C23C24C25C29179.6°179.7°
C23C24C25C26179.5°180.0°
C23C24C25H250.5°0.0°
C23C24C29C28179.6°179.8°
C23C24C29H290.4°0.3°
H231C23C24C25160.9°39.5°
H231C23C24C2919.5°140.1°
H232C23C24C2551.4°159.5°
H232C23C24C29129.0°20.1°
C24C25C26H25180.0°179.9°
C24C25C26C270.0°0.1°
C24C25C26H26179.9°180.0°
C25C24C29C280.0°0.5°
C25C24C29H29180.0°179.9°
C29C24C25C260.1°0.4°
C29C24C25H25179.9°179.7°
C24C29C28C270.1°0.4°
C24C29C28H29180.0°179.5°
C24C29C28H28179.9°179.7°
C25C26C27H26180.0°179.9°
C25C26C27C280.1°0.0°
C25C26C27H27179.8°180.0°
H25C25C26C27180.0°180.0°
H25C25C26H260.0°0.1°
C26C27C28H27179.9°180.0°
C26C27C28C290.2°0.2°
C26C27C28H28179.8°179.9°
H26C26C27C28179.9°179.9°
H26C26C27H270.1°0.1°
C27C28C29H28180.0°179.9°
C27C28C29H29179.9°180.0°
H27C27C28C29179.7°179.8°
H27C27C28H280.2°0.1°
H28C28C29H290.1°0.1°
O33C32H321H322119.6°120.0°
C32O33C34C3530.2°180.0°
C32O33C34C39150.3°0.3°
H321C32O33C3428.2°60.0°
H322C32O33C34137.6°59.9°
O33C34C35C39179.5°179.7°
O33C34C35C36179.7°180.0°
O33C34C35H350.3°0.0°
O33C34C39C38179.4°179.7°
O33C34C39H390.6°0.3°
C34C35C36H35180.0°180.0°
C34C35C36C370.2°0.1°
C34C35C36H36179.7°180.0°
C35C34C39C380.0°0.6°
C35C34C39H39179.9°180.0°
C39C34C35C360.2°0.3°
C39C34C35H35179.8°179.7°
C34C39C38C370.3°0.6°
C34C39C38H39180.0°179.5°
C34C39C38H38179.7°179.7°
C35C36C37H36180.0°179.9°
C35C36C37C380.0°0.1°
C35C36C37H37180.0°180.0°
H35C35C36C37179.8°180.0°
H35C35C36H360.3°0.1°
C36C37C38H37180.0°179.9°
C36C37C38C390.3°0.2°
C36C37C38H38179.8°180.0°
H36C36C37C38180.0°180.0°
H36C36C37H370.0°0.1°
C37C38C39H38180.0°179.7°
C37C38C39H39179.7°180.0°
H37C37C38C39179.7°179.7°
H37C37C38H380.3°0.0°
H38C38C39H390.3°0.3°

222415

PDB entries from 2024-07-10

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