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SummaryGeometryPCM/PTMRelated PDB entries

A1ALL

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C02O01doub1.21Å1.22Å
N03C02sing1.34Å1.39Å
C04N03sing1.47Å1.47Å
C05C04sing1.55Å1.55Å
C06C05sing1.55Å1.56Å
C07C06sing1.53Å1.54Å
C08C07sing1.53Å1.54Å
N10C09doub1.28Å1.26Å
C09C08sing1.51Å1.54Å
N11C08sing1.46Å1.49Å
C12N11sing1.35Å1.43Å
C15C14sing1.53Å1.52Å
C16C15sing1.53Å1.52Å
C17C15sing1.53Å1.55Å
C14C13sing1.53Å1.50Å
N18C13sing1.46Å1.47Å
C19N18sing1.35Å1.40Å
C21C20doub1.40Å1.42ÅAromatic
C22C21sing1.38Å1.41ÅAromatic
C23C22doub1.39Å1.42ÅAromatic
C25C24doub1.39Å1.41ÅAromatic
C26C25sing1.38Å1.39ÅAromatic
C27C26doub1.39Å1.39ÅAromatic
F28C27sing1.35Å1.31Å
C29C27sing1.39Å1.41ÅAromatic
C30C29doub1.38Å1.40ÅAromatic
C24C23sing1.48Å1.50Å
C31C23sing1.40Å1.42ÅAromatic
C32C31doub1.38Å1.41ÅAromatic
C20C19sing1.48Å1.53Å
O33C19doub1.22Å1.23Å
C13C12sing1.51Å1.57Å
O34C12doub1.21Å1.22Å
C02C06sing1.51Å1.52Å
C20C32sing1.40Å1.40ÅAromatic
C24C30sing1.39Å1.42ÅAromatic
C13H131sing1.09Å1.10Å
C15H151sing1.09Å1.10Å
C17H172sing1.09Å1.10Å
C17H173sing1.09Å1.10Å
C17H171sing1.09Å1.10Å
C21H211sing1.08Å1.08Å
C22H221sing1.08Å1.08Å
C26H261sing1.08Å1.08Å
C04H042sing1.09Å1.10Å
C04H041sing1.09Å1.10Å
C05H052sing1.09Å1.10Å
C05H051sing1.09Å1.10Å
C06H061sing1.09Å1.10Å
C07H071sing1.09Å1.10Å
C07H072sing1.09Å1.10Å
C08H081sing1.09Å1.10Å
C09H091sing1.08Å1.08Å
C14H142sing1.09Å1.10Å
C14H141sing1.09Å1.10Å
C16H163sing1.09Å1.10Å
C16H162sing1.09Å1.10Å
C16H161sing1.09Å1.10Å
C25H251sing1.08Å1.08Å
C29H291sing1.08Å1.08Å
C30H301sing1.08Å1.08Å
C31H311sing1.08Å1.08Å
C32H321sing1.08Å1.08Å
N03H031sing0.97Å1.00Å
N10H101sing0.97Å1.00Å
N11H111sing0.97Å1.00Å
N18H181sing0.97Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C02N03122.2°124.9°
O01C02C06126.5°124.9°
C02N03C04112.4°111.3°
N03C02C06111.3°110.1°
C02N03H031123.8°124.4°
N03C04C05104.9°105.5°
N03C04H042110.6°110.3°
N03C04H041110.6°110.2°
C04N03H031123.8°124.3°
C04C05C06107.4°101.7°
C05C04H042110.6°110.4°
C05C04H041110.6°110.2°
C04C05H052110.0°111.0°
C04C05H051110.0°111.0°
C05C06C07111.5°110.5°
C05C06C02103.4°104.2°
C06C05H052110.0°111.0°
C06C05H051110.0°111.0°
C05C06H061109.3°110.5°
C06C07C08112.2°109.5°
C07C06C02113.1°110.5°
C07C06H061109.6°110.5°
C06C07H071108.8°109.4°
C06C07H072108.8°109.5°
C07C08C09108.2°109.4°
C07C08N11115.2°109.4°
C08C07H071108.8°109.5°
C08C07H072108.8°109.5°
C07C08H081107.0°109.5°
N10C09C08126.0°120.0°
N10C09H091117.0°120.0°
C09N10H101112.0°120.0°
C09C08N11111.6°109.5°
C09C08H081107.0°109.5°
C08C09H091117.0°120.0°
C08N11C12118.2°120.0°
N11C08H081107.5°109.5°
C08N11H111120.9°120.0°
N11C12C13125.5°120.0°
N11C12O34118.8°120.0°
C12N11H111120.9°120.0°
C14C15C16109.4°109.5°
C14C15C17111.3°109.4°
C15C14C13113.5°109.5°
C14C15H151108.8°109.5°
C15C14H142108.4°109.5°
C15C14H141108.4°109.5°
C16C15C17109.9°109.5°
C16C15H151108.9°109.5°
C15C16H163109.5°109.4°
C15C16H162109.5°109.5°
C15C16H161109.4°109.5°
C17C15H151108.4°109.5°
C15C17H172109.5°109.5°
C15C17H173109.5°109.5°
C15C17H171109.5°109.5°
C14C13N18115.1°109.4°
C14C13C12112.1°109.5°
C14C13H131105.2°109.5°
C13C14H142108.5°109.5°
C13C14H141108.5°109.5°
C13N18C19134.5°120.0°
N18C13C12113.3°109.5°
N18C13H131105.5°109.5°
C13N18H181112.8°120.0°
N18C19C20120.2°120.0°
N18C19O33120.8°120.0°
C19N18H181112.7°120.0°
C20C21C22122.9°120.0°
C21C20C19123.0°120.0°
C21C20C32114.2°120.0°
C20C21H211118.5°120.0°
C21C22C23123.1°120.0°
C22C21H211118.5°120.0°
C21C22H221118.5°120.0°
C22C23C24123.1°120.0°
C22C23C31113.2°120.1°
C23C22H221118.4°120.0°
C24C25C26124.1°119.9°
C25C24C23120.3°120.1°
C25C24C30115.0°119.8°
C24C25H251118.0°120.1°
C25C26C27119.3°120.1°
C25C26H261120.4°120.0°
C26C25H251117.9°120.0°
C26C27F28119.2°119.9°
C26C27C29119.5°120.2°
C27C26H261120.4°120.0°
F28C27C29121.3°119.9°
C27C29C30120.1°120.1°
C27C29H291120.0°119.9°
C29C30C24122.1°119.9°
C30C29H291120.0°120.0°
C29C30H301119.0°120.1°
C24C23C31123.6°119.9°
C23C24C30124.7°120.1°
C23C31C32123.6°120.0°
C23C31H311118.2°120.0°
C31C32C20123.0°119.9°
C32C31H311118.2°120.0°
C31C32H321118.5°120.0°
C20C19O33118.9°120.0°
C19C20C32122.7°120.0°
C13C12O34115.6°120.0°
C12C13H131104.5°109.5°
C02C06H061109.8°110.5°
C20C32H321118.5°120.1°
C24C30H301119.0°120.1°
H172C17H173109.5°109.5°
H172C17H171109.5°109.5°
H173C17H171109.5°109.5°
H042C04H041109.5°110.2°
H052C05H051109.5°110.9°
H071C07H072109.5°109.5°
H142C14H141109.4°109.4°
H163C16H162109.5°109.5°
H163C16H161109.5°109.5°
H162C16H161109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C02N03C06179.4°179.7°
O01C02N03C04179.4°179.6°
O01C02C06C05174.6°163.8°
O01C02C06C0753.9°45.1°
O01C02C06H06168.9°77.5°
O01C02N03H0310.6°0.6°
C02N03C04H031180.0°179.8°
C02N03C04C054.8°16.8°
N03C02C06C054.8°16.5°
N03C02C06C07125.5°135.2°
C02N03C04H042114.4°136.0°
C02N03C04H041124.1°102.1°
N03C02C06H061111.8°102.2°
N03C04C05H042119.3°119.1°
N03C04C05H041119.3°118.9°
N03C04C05C067.6°25.4°
C04N03C02C060.0°0.2°
N03C04H042H041122.1°121.9°
N03C04C05H052127.3°143.5°
N03C04C05H051112.1°92.7°
C04C05C06H052119.6°118.1°
C04C05C06H051119.7°118.1°
C04C05C06C07129.3°143.6°
C04C05C06C027.5°24.9°
C05C04H042H041122.1°122.0°
C04C05H052H051121.0°123.8°
C04C05C06H061109.4°93.8°
C05C04N03H031175.2°163.0°
C05C06C07C02116.1°114.8°
C05C06C07H061121.1°122.6°
C05C06C07C0863.6°69.4°
C05C06C02H061116.5°118.7°
C06C05C04H042111.7°144.5°
C06C05C04H041126.9°93.6°
C06C05H052H051121.0°123.8°
C05C06C07H07156.8°50.6°
C05C06C07H072176.0°170.6°
C06C07C08H071120.4°119.9°
C06C07C08H072120.4°120.0°
C06C07C08C09173.2°173.9°
C06C07C08N1161.1°66.1°
C07C06C02H061122.7°122.6°
C07C06C05H052111.0°98.3°
C07C06C05H0519.6°25.5°
C06C07H071H072118.8°120.0°
C06C07C08H08158.3°54.0°
C07C08C09N10103.4°120.0°
C07C08C09N11127.7°120.0°
C07C08C09H081114.9°120.0°
C07C08N11H081119.1°120.0°
C07C08N11C12105.4°153.4°
C08C07C06C02179.7°175.9°
C08C07C06H06157.5°53.2°
C08C07H071H072118.8°120.0°
C07C08C09H09176.6°60.0°
C07C08N11H11174.7°26.6°
N10C09C08H091180.0°179.9°
N10C09C08N11128.9°0.1°
N10C09C08H08111.6°120.0°
C09C08N11H081117.0°120.0°
C09C08N11C12130.8°86.7°
C09C08C07H07152.8°54.0°
C09C08C07H07266.4°66.0°
C08C09N10H101180.0°180.0°
C09C08N11H11149.2°93.3°
C08N11C12H111180.0°180.0°
C08N11C12C13176.9°174.9°
C08N11C12O340.4°5.1°
N11C08C07H071178.5°174.0°
N11C08C07H07259.3°53.9°
N11C08C09H09151.1°180.0°
N11C12C13C1420.0°83.1°
N11C12C13N18112.3°157.0°
N11C12C13O34176.7°180.0°
N11C12C13H131133.4°36.9°
C12N11C08H08113.7°33.4°
C14C15C16C17122.5°120.0°
C14C15C16H151118.8°120.0°
C14C15C17H151119.7°120.0°
C15C14C13H142120.6°120.0°
C15C14C13H141120.6°120.0°
C15C14C13N1845.2°66.2°
C15C14C13C12176.6°173.9°
C15C14C13H13170.4°53.8°
C14C15C17H172180.0°60.0°
C14C15C17H17360.0°180.0°
C14C15C17H17160.0°60.0°
C15C14H142H141118.1°120.0°
C14C15C16H163180.0°60.0°
C14C15C16H16260.0°180.0°
C14C15C16H16160.0°60.0°
C16C15C17H151118.9°120.0°
C16C15C14C13133.7°65.0°
C16C15C17H17258.6°180.0°
C16C15C17H173178.6°60.0°
C16C15C17H17161.4°60.0°
C16C15C14H14213.0°55.0°
C16C15C14H141105.7°175.0°
C15C16H163H162120.0°120.0°
C15C16H163H161120.0°120.0°
C15C16H162H161120.0°120.0°
C17C15C14C13104.6°175.0°
C15C17H172H173120.0°120.0°
C15C17H172H171120.0°120.0°
C15C17H173H171120.0°120.0°
C17C15C14H142134.7°65.0°
C17C15C14H14116.0°55.0°
C17C15C16H16357.5°60.0°
C17C15C16H16262.5°60.0°
C17C15C16H161177.5°180.0°
C14C13N18C12130.8°120.0°
C14C13N18H131115.5°120.0°
C14C13N18C1995.2°85.1°
C14C13C12H131113.4°120.0°
C14C13C12O34156.7°96.9°
C13C14C15H15114.8°55.0°
C13C14H142H141118.2°120.0°
C14C13N18H18184.8°95.1°
C13N18C19H181180.0°179.9°
C13N18C19C20174.5°179.9°
C13N18C19O331.7°0.1°
N18C13C12H131114.3°120.0°
N18C13C12O3471.0°23.0°
N18C13C14H14275.4°173.8°
N18C13C14H141165.8°53.8°
N18C19C20C2156.2°0.3°
N18C19C20O33176.2°180.0°
C19N18C13C1235.7°155.0°
N18C19C20C32118.3°179.9°
C19N18C13H131149.4°34.9°
C20C21C22H211180.0°180.0°
C20C21C22C232.1°0.0°
C21C20C32C312.9°0.7°
C21C20C19C32174.4°179.7°
C21C20C19O33127.6°179.7°
C20C21C22H221177.9°180.0°
C21C20C32H321177.0°179.8°
C21C22C23H221180.0°180.0°
C21C22C23C24178.4°180.0°
C21C22C23C311.4°0.1°
C22C21C20C19177.5°180.0°
C22C21C20C322.7°0.3°
C22C23C24C25144.6°0.3°
C22C23C24C31176.7°180.0°
C22C23C31C321.7°0.4°
C22C23C24C3034.7°180.0°
C23C22C21H211177.9°179.9°
C22C23C31H311178.3°180.0°
C24C25C26H251180.0°179.9°
C24C25C26C270.2°0.1°
C25C24C30C290.0°0.3°
C25C24C23C30179.3°179.7°
C25C24C23C3132.1°179.7°
C24C25C26H261179.8°180.0°
C25C24C30H301180.0°179.7°
C25C26C27H261180.0°179.9°
C25C26C27F28179.4°180.0°
C25C26C27C290.2°0.3°
C26C25C24C23179.7°180.0°
C26C25C24C300.3°0.3°
C26C27F28C29179.2°179.8°
C26C27C29C300.5°0.3°
C27C26C25H251179.8°179.9°
C26C27C29H291179.5°179.9°
F28C27C29C30179.7°179.9°
F28C27C26H2610.6°0.1°
F28C27C29H2910.3°0.3°
C27C29C30H291180.0°179.6°
C27C29C30C240.4°0.0°
C29C27C26H261179.8°179.7°
C27C29C30H301179.6°180.0°
C29C30C24C23179.3°180.0°
C29C30C24H301180.0°180.0°
C24C23C31C32178.7°179.7°
C24C23C22H2211.6°0.0°
C23C24C25H2510.3°0.1°
C23C24C30H3010.7°0.0°
C24C23C31H3111.3°0.0°
C23C31C32H311180.0°179.6°
C23C31C32C202.7°0.7°
C31C23C24C30148.6°0.0°
C31C23C22H221178.6°180.0°
C23C31C32H321177.3°179.7°
C31C32C20C19177.8°179.7°
C31C32C20H321180.0°179.6°
C19C20C21H2112.4°0.0°
C19C20C32H3212.1°0.1°
C20C19N18H1815.5°0.1°
O33C19C20C3258.0°0.1°
O33C19N18H181178.3°179.9°
C12C13C14H14256.0°53.8°
C12C13C14H14162.8°66.2°
C13C12N11H1113.1°5.2°
C12C13N18H181144.3°24.9°
O34C12C13H13143.3°143.1°
O34C12N11H111179.6°174.8°
C02C06C05H052127.1°143.0°
C02C06C05H051112.2°93.2°
C02C06C07H07159.3°64.2°
C02C06C07H07259.9°55.8°
C06C02N03H031180.0°179.7°
C32C20C21H211177.3°179.7°
C20C32C31H311177.3°179.7°
C30C24C25H251179.7°179.8°
C24C30C29H291179.6°179.7°
H131C13C14H142169.0°66.2°
H131C13C14H14150.2°173.8°
H131C13N18H18130.6°145.0°
H151C15C17H17260.3°60.0°
H151C15C17H17359.7°60.0°
H151C15C17H171179.7°180.0°
H151C15C14H142105.8°175.1°
H151C15C14H141135.4°65.0°
H151C15C16H16361.2°180.0°
H151C15C16H162178.8°60.0°
H151C15C16H16158.9°60.0°
H172C17H173H171120.0°120.0°
H211C21C22H2212.1°0.0°
H261C26C25H2510.2°0.1°
H042C04C05H0528.0°97.4°
H042C04C05H051128.6°26.4°
H042C04N03H03165.5°43.8°
H041C04C05H052113.4°24.6°
H041C04C05H0517.2°148.3°
H041C04N03H03155.9°78.1°
H052C05C06H06110.2°24.3°
H051C05C06H061130.9°148.1°
H061C06C07H071177.8°173.2°
H061C06C07H07263.0°66.8°
H071C07C08H08162.1°66.0°
H072C07C08H081178.7°174.0°
H081C08C09H091168.4°59.9°
H081C08N11H111166.2°146.7°
H091C09N10H1010.0°0.1°
H163C16H162H161120.0°120.0°
H291C29C30H3010.4°0.4°
H311C31C32H3212.7°0.1°

251174

PDB entries from 2026-03-25

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