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SummaryGeometryRelated PDB entries

IGS

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N21N22sing1.40Å1.35ÅAromatic
N21C20sing1.37Å1.35ÅAromatic
N22C23doub1.31Å1.32ÅAromatic
N19C20doub1.33Å1.36ÅAromatic
N19C18sing1.31Å1.34ÅAromatic
C20C17sing1.41Å1.38ÅAromatic
O38C29doub1.21Å1.19Å
C18C15doub1.40Å1.40ÅAromatic
C23C17sing1.46Å1.43ÅAromatic
C23O24sing1.36Å1.40Å
C17C16doub1.40Å1.41ÅAromatic
C31C30sing1.53Å1.54Å
C29C30sing1.51Å1.53Å
C29N28sing1.35Å1.47Å
C25O24sing1.43Å1.40Å
C25C26sing1.53Å1.55Å
C15C16sing1.39Å1.40ÅAromatic
C15C14sing1.48Å1.52Å
C27N28sing1.46Å1.46Å
C27C26sing1.53Å1.52Å
F08C07sing1.35Å1.36Å
C13C14doub1.36Å1.43ÅAromatic
C13N10sing1.36Å1.34ÅAromatic
C14N12sing1.34Å1.32ÅAromatic
C07C06doub1.38Å1.41ÅAromatic
C07C09sing1.39Å1.37ÅAromatic
N10C09sing1.40Å1.43Å
N10N11sing1.40Å1.33ÅAromatic
N12N11doub1.29Å1.32ÅAromatic
C06C05sing1.38Å1.40ÅAromatic
C09C39doub1.39Å1.35ÅAromatic
C43C44doub1.38Å1.40ÅAromatic
C43C42sing1.38Å1.40ÅAromatic
C44C45sing1.39Å1.39ÅAromatic
C05C04doub1.39Å1.39ÅAromatic
C39C04sing1.39Å1.34ÅAromatic
C39F40sing1.35Å1.36Å
C47C48doub1.38Å1.39ÅAromatic
C47C46sing1.39Å1.38ÅAromatic
C48C49sing1.38Å1.38ÅAromatic
C42C41doub1.38Å1.39ÅAromatic
C04N03sing1.40Å1.43Å
C45C46sing1.48Å1.54Å
C45C52doub1.39Å1.38ÅAromatic
C46C51doub1.39Å1.39ÅAromatic
C49C50doub1.38Å1.39ÅAromatic
C41C52sing1.38Å1.39ÅAromatic
C41S02sing1.76Å1.82Å
N03S02sing1.66Å1.65Å
C51C50sing1.38Å1.39ÅAromatic
S02O53doub1.42Å1.47Å
S02O01doub1.42Å1.46Å
C13H1sing1.08Å1.08Å
C26H2sing1.09Å1.10Å
C26H3sing1.09Å1.10Å
C05H4sing1.08Å1.08Å
C06H5sing1.08Å1.08Å
C16H6sing1.08Å1.08Å
C18H7sing1.08Å1.08Å
C25H8sing1.09Å1.10Å
C25H9sing1.09Å1.10Å
C27H10sing1.09Å1.10Å
C27H11sing1.09Å1.10Å
C30H12sing1.09Å1.10Å
C30H13sing1.09Å1.10Å
C31H14sing1.09Å1.10Å
C31H15sing1.09Å1.10Å
C31H16sing1.09Å1.10Å
C42H17sing1.08Å1.08Å
C43H18sing1.08Å1.08Å
C44H19sing1.08Å1.08Å
C47H20sing1.08Å1.08Å
C48H21sing1.08Å1.08Å
C49H22sing1.08Å1.08Å
C50H23sing1.08Å1.08Å
C51H24sing1.08Å1.08Å
C52H25sing1.08Å1.08Å
N03H26sing0.97Å1.00Å
N21H27sing0.97Å1.00Å
N28H28sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
N22N21C20111.0°109.4°
N21N22C23108.2°110.1°
N22N21H27124.5°125.4°
N21C20N19131.4°133.3°
N21C20C17106.7°106.6°
C20N21H27124.5°125.3°
N22C23C17108.3°107.5°
N22C23O24128.1°126.2°
C20N19C18121.1°121.8°
N19C20C17121.9°120.1°
N19C18C15118.7°121.4°
N19C18H7120.6°119.3°
C20C17C23105.7°106.4°
C20C17C16119.2°119.5°
O38C29C30119.2°120.0°
O38C29N28120.7°120.0°
C18C15C16122.3°119.2°
C18C15C14119.7°120.4°
C15C18H7120.6°119.3°
C17C23O24123.6°126.2°
C23C17C16135.0°134.1°
C23O24C25116.0°117.0°
C17C16C15116.7°118.0°
C17C16H6121.7°121.0°
C31C30C29110.0°109.5°
C31C30H12109.3°109.5°
C31C30H13109.3°109.5°
C30C31H14109.5°109.5°
C30C31H15109.5°109.5°
C30C31H16109.5°109.4°
C30C29N28120.1°120.0°
C29C30H12109.3°109.4°
C29C30H13109.3°109.5°
C29N28C27121.6°120.0°
C29N28H28119.2°120.0°
O24C25C26106.2°109.4°
O24C25H8110.3°109.5°
O24C25H9110.3°109.5°
C25C26C27109.3°109.4°
C25C26H2109.5°109.5°
C25C26H3109.5°109.5°
C26C25H8110.3°109.5°
C26C25H9110.3°109.5°
C16C15C14117.9°120.4°
C15C16H6121.6°121.0°
C15C14C13130.5°125.7°
C15C14N12121.3°125.6°
N28C27C26110.8°109.5°
N28C27H10109.2°109.5°
N28C27H11109.1°109.5°
C27N28H28119.2°120.0°
C27C26H2109.5°109.5°
C27C26H3109.5°109.5°
C26C27H10109.1°109.5°
C26C27H11109.1°109.5°
F08C07C06123.9°119.9°
F08C07C09116.2°120.0°
C14C13N10102.9°106.7°
C13C14N12108.2°108.7°
C14C13H1128.5°126.6°
C13N10C09127.2°126.8°
C13N10N11111.8°106.5°
N10C13H1128.5°126.7°
C14N12N11109.1°109.8°
C06C07C09120.0°120.1°
C07C06C05119.2°120.1°
C07C06H5120.4°119.9°
C07C09N10123.6°120.1°
C07C09C39120.6°119.9°
C09N10N11120.9°126.8°
N10C09C39115.8°120.1°
N10N11N12107.9°108.3°
C06C05C04117.3°120.1°
C06C05H4121.4°119.9°
C05C06H5120.4°120.0°
C09C39C04120.2°119.9°
C09C39F40123.2°120.0°
C44C43C42120.9°120.1°
C43C44C45120.1°119.9°
C44C43H18119.6°119.9°
C43C44H19120.0°120.1°
C43C42C41118.0°120.2°
C43C42H17121.0°119.9°
C42C43H18119.5°119.9°
C44C45C46122.1°120.1°
C44C45C52118.9°119.8°
C45C44H19119.9°120.1°
C05C04C39122.9°120.0°
C05C04N03130.1°120.0°
C04C05H4121.3°120.0°
C04C39F40116.7°120.1°
C39C04N03107.0°120.0°
C48C47C46120.6°119.9°
C47C48C49120.3°120.1°
C48C47H20119.7°120.0°
C47C48H21119.9°120.0°
C47C46C45120.7°120.2°
C47C46C51119.3°119.8°
C46C47H20119.7°120.1°
C48C49C50119.4°120.2°
C49C48H21119.8°119.9°
C48C49H22120.3°119.9°
C42C41C52121.3°120.1°
C42C41S02122.8°119.9°
C41C42H17121.0°119.9°
C04N03S02117.3°120.0°
C04N03H26107.5°120.0°
C46C45C52119.0°120.1°
C45C46C51120.0°120.1°
C45C52C41120.8°119.9°
C45C52H25119.6°120.1°
C46C51C50120.4°119.9°
C46C51H24119.8°120.1°
C49C50C51120.1°120.1°
C50C49H22120.3°119.9°
C49C50H23119.9°119.9°
C52C41S02115.9°119.9°
C41C52H25119.6°120.0°
C41S02N03114.8°107.2°
C41S02O53108.2°106.4°
C41S02O01112.6°106.4°
N03S02O53106.5°106.4°
N03S02O01112.2°106.4°
S02N03H26107.5°120.0°
C51C50H23120.0°120.0°
C50C51H24119.8°120.1°
O53S02O01101.4°123.2°
H2C26H3109.5°109.6°
H8C25H9109.5°109.5°
H10C27H11109.5°109.5°
H12C30H13109.5°109.5°
H14C31H15109.5°109.4°
H14C31H16109.4°109.5°
H15C31H16109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N22N21C20H27180.0°179.8°
N22N21C20N19179.8°179.5°
N22N21C20C170.3°0.2°
N21N22C23C170.2°0.4°
N21N22C23O24180.0°179.6°
C20N21N22C230.3°0.2°
N21C20N19C17179.9°179.3°
N21C20N19C18179.7°179.6°
N21C20C17C230.1°0.4°
N21C20C17C16179.7°180.0°
N22C23C17C200.1°0.5°
N22C23C17O24179.8°180.0°
N22C23C17C16179.8°180.0°
N22C23O24C2515.1°0.0°
C23N22N21H27179.7°179.9°
C20N19C18C150.0°0.0°
N19C20C17C23180.0°179.8°
N19C20C17C160.2°0.6°
C20N19C18H7180.0°180.0°
N19C20N21H270.2°0.3°
C18N19C20C170.2°0.3°
N19C18C15H7180.0°180.0°
N19C18C15C160.1°0.0°
N19C18C15C14179.9°179.7°
C20C17C23C16179.8°179.5°
C20C17C23O24179.8°179.5°
C20C17C16C150.1°0.6°
C20C17C16H6179.9°179.5°
C17C20N21H27179.7°179.6°
O38C29C30C3178.4°0.0°
O38C29C30N28179.9°180.0°
O38C29N28C270.6°0.0°
O38C29C30H1241.7°120.0°
O38C29C30H13161.5°120.0°
O38C29N28H28179.4°180.0°
C18C15C16C170.0°0.3°
C18C15C16C14179.8°179.7°
C18C15C14C139.6°0.3°
C18C15C14N12170.8°179.7°
C18C15C16H6180.0°179.8°
C17C23O24C25165.2°180.0°
C23C17C16C15179.9°180.0°
C23C17C16H60.1°0.0°
O24C23C17C160.4°0.0°
C23O24C25C26170.2°180.0°
C23O24C25H870.3°60.0°
C23O24C25H950.7°60.1°
C17C16C15H6180.0°179.9°
C17C16C15C14179.8°180.0°
C31C30C29H12120.1°120.0°
C31C30C29H13120.1°120.0°
C31C30C29N28101.8°180.0°
C31C30H12H13119.8°120.1°
C30C31H14H15120.0°120.0°
C30C31H14H16120.0°120.0°
C30C31H15H16120.0°120.0°
C30C29N28C27179.6°180.0°
C29C30H12H13119.7°120.0°
C29C30C31H14180.0°60.0°
C29C30C31H1560.0°60.0°
C29C30C31H1660.0°180.0°
C30C29N28H280.4°0.0°
C29N28C27H28180.0°180.0°
C29N28C27C2697.4°180.0°
C29N28C27H10142.4°60.0°
C29N28C27H1122.8°60.0°
N28C29C30H12138.2°60.0°
N28C29C30H1318.3°60.0°
O24C25C26H8119.4°120.0°
O24C25C26H9119.5°120.0°
O24C25C26C2776.3°180.0°
O24C25C26H2163.7°60.0°
O24C25C26H343.7°60.1°
O24C25H8H9121.5°120.0°
C25C26C27N2877.7°180.0°
C25C26C27H2120.0°120.0°
C25C26C27H3120.0°120.0°
C25C26H2H3120.0°120.0°
C26C25H8H9121.6°120.0°
C25C26C27H10162.1°60.0°
C25C26C27H1142.5°60.0°
C16C15C14C13170.2°180.0°
C16C15C14N129.4°0.0°
C16C15C18H7179.9°180.0°
C15C14C13N12179.6°180.0°
C15C14C13N10178.4°180.0°
C15C14N12N11179.8°180.0°
C15C14C13H11.7°0.0°
C14C15C16H60.2°0.1°
C14C15C18H70.1°0.3°
N28C27C26H10120.2°120.0°
N28C27C26H11120.2°120.0°
N28C27C26H2162.3°60.1°
N28C27C26H342.2°60.0°
N28C27H10H11119.4°120.0°
C27C26H2H3120.1°120.0°
C27C26C25H843.1°60.0°
C27C26C25H9164.2°60.0°
C26C27H10H11119.4°120.0°
C26C27N28H2882.6°0.0°
F08C07C06C09179.7°179.9°
F08C07C09N100.3°0.1°
F08C07C06C05179.2°180.0°
F08C07C09C39179.6°179.7°
F08C07C06H50.8°0.1°
C14C13N10H1180.0°180.0°
C14C13N10C09178.9°179.9°
C14C13N10N112.2°0.0°
C13C14N12N110.1°0.0°
N10C13C14N121.2°0.0°
C13N10C09C0779.2°0.1°
C13N10C09N11176.5°179.9°
C13N10N11N122.4°0.1°
C13N10C09C39100.7°179.8°
C14N12N11N101.4°0.1°
N12C14C13H1178.7°180.0°
C06C07C09N10179.9°180.0°
C07C06C05H5180.0°180.0°
C06C07C09C390.0°0.4°
C07C06C05C040.9°0.0°
C07C06C05H4179.1°180.0°
C07C09N10C39179.9°179.7°
C07C09N10N11104.3°180.0°
C09C07C06C050.4°0.1°
C07C09C39C040.1°0.6°
C07C09C39F40179.2°180.0°
C09C07C06H5179.6°180.0°
C09N10N11N12179.4°180.0°
N10C09C39C04180.0°179.8°
N10C09C39F400.7°0.3°
C09N10C13H11.0°0.1°
N11N10C09C3975.8°0.4°
N11N10C13H1177.8°180.0°
C06C05C04H4180.0°180.0°
C06C05C04C391.0°0.3°
C06C05C04N03178.8°180.0°
C09C39C04C050.6°0.5°
C09C39C04F40179.3°179.4°
C09C39C04N03178.9°179.7°
C44C43C42H18180.0°179.9°
C43C44C45H19180.0°180.0°
C44C43C42C410.0°0.0°
C43C44C45C46179.7°180.0°
C43C44C45C521.2°0.0°
C44C43C42H17179.9°180.0°
C42C43C44C451.2°0.0°
C43C42C41H17180.0°179.9°
C43C42C41C521.2°0.1°
C43C42C41S02179.8°179.7°
C42C43C44H19178.8°180.0°
C44C45C46C476.9°179.8°
C44C45C46C52179.1°180.0°
C44C45C46C51171.4°0.0°
C44C45C52C410.0°0.0°
C45C44C43H18178.8°179.9°
C44C45C52H25180.0°179.7°
C05C04C39N03178.3°179.8°
C05C04C39F40178.7°180.0°
C05C04N03S023.3°35.5°
C04C05C06H5179.1°180.0°
C05C04N03H26124.4°144.5°
C39C04N03S02178.6°144.7°
C39C04C05H4179.0°179.8°
C39C04N03H2657.5°35.3°
F40C39C04N030.5°0.3°
C48C47C46H20180.0°180.0°
C47C48C49H21180.0°180.0°
C48C47C46C45179.5°180.0°
C48C47C46C511.1°0.2°
C47C48C49C500.1°0.0°
C47C48C49H22179.9°180.0°
C46C47C48C490.2°0.0°
C47C46C45C51178.3°179.7°
C47C46C45C52174.0°0.3°
C47C46C51C501.7°0.5°
C46C47C48H21179.7°180.0°
C47C46C51H24178.3°179.7°
C48C49C50H22180.0°180.0°
C48C49C50C510.5°0.3°
C49C48C47H20179.8°180.0°
C48C49C50H23179.5°180.0°
C42C41C52C451.2°0.0°
C42C41C52S02179.1°179.7°
C42C41S02N0347.1°89.7°
C42C41S02O53165.8°156.8°
C42C41S02O0182.9°23.9°
C41C42C43H18180.0°179.9°
C42C41C52H25178.8°179.7°
C04N03S02C4164.3°60.4°
C04N03S02H26121.1°180.0°
C04N03S02O5355.4°173.9°
C04N03S02O01165.5°53.1°
N03C04C05H41.2°0.0°
C46C45C52C41179.1°180.0°
C45C46C51C50180.0°179.7°
C46C45C44H190.3°0.0°
C45C46C47H200.6°0.0°
C45C46C51H240.1°0.0°
C46C45C52H250.9°0.2°
C52C45C46C517.7°180.0°
C45C52C41H25180.0°179.7°
C45C52C41S02179.7°179.7°
C52C45C44H19178.8°180.0°
C46C51C50C491.4°0.6°
C46C51C50H24180.0°179.7°
C51C46C47H20178.9°179.8°
C46C51C50H23178.6°179.7°
C49C50C51H23180.0°179.7°
C50C49C48H21179.9°180.0°
C49C50C51H24178.6°179.7°
C52C41S02N03132.0°90.0°
C52C41S02O5313.3°23.6°
C52C41S02O0198.0°156.5°
C52C41C42H17178.8°180.0°
C41S02N03O53119.7°113.5°
C41S02N03O01130.2°113.5°
C41S02O53O01118.7°122.9°
S02C41C42H170.2°0.3°
S02C41C52H250.3°0.0°
C41S02N03H26174.6°119.6°
N03S02O53O01117.5°123.0°
C51C50C49H22179.5°179.7°
O53S02N03H2665.7°6.1°
O01S02N03H2644.4°126.9°
H2C26C25H876.9°59.9°
H2C26C25H944.2°180.0°
H2C26C27H1042.1°179.9°
H2C26C27H1177.5°60.0°
H3C26C25H8163.1°180.0°
H3C26C25H975.8°59.9°
H3C26C27H1078.0°60.0°
H3C26C27H11162.4°179.9°
H4C05C06H50.9°0.0°
H10C27N28H2837.6°120.0°
H11C27N28H28157.2°120.0°
H12C30C31H1459.9°179.9°
H12C30C31H1560.1°60.0°
H12C30C31H16179.9°60.0°
H13C30C31H1459.9°60.0°
H13C30C31H15179.9°NaN°
H13C30C31H1660.1°60.0°
H14C31H15H16119.9°120.0°
H17C42C43H180.1°0.0°
H18C43C44H191.2°0.1°
H20C47C48H210.2°0.0°
H21C48C49H220.0°0.0°
H22C49C50H230.5°0.0°
H23C50C51H241.4°0.0°

225946

PDB entries from 2024-10-09

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