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SummaryGeometryPCM/PTMRelated PDB entries

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Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
O01C34doub1.24Å1.43Å
C35C34sing1.50Å1.53Å
C35C36sing1.51Å1.54Å
C34N01sing1.39Å1.51Å
C03C04doub1.37Å1.38ÅAromatic
C03C02sing1.37Å1.38ÅAromatic
C04C05sing1.39Å1.38ÅAromatic
C36C37sing1.50Å1.53Å
N01C33sing1.47Å1.51Å
N01C37sing1.39Å1.50Å
C33C02sing1.52Å1.54Å
C07C08doub1.37Å1.38ÅAromatic
C07C06sing1.40Å1.38ÅAromatic
C02C01doub1.39Å1.38ÅAromatic
C37O02doub1.24Å1.43Å
C08C09sing1.36Å1.38ÅAromatic
C05C06sing1.47Å1.48Å
C05N02doub1.35Å1.36ÅAromatic
C06N03doub1.35Å1.34ÅAromatic
C01N02sing1.35Å1.35ÅAromatic
N02IR1sing2.36Å2.13Å
C09C10doub1.38Å1.36ÅAromatic
N03C10sing1.35Å1.35ÅAromatic
N03IR1sing2.31Å2.13Å
C23C22doub1.38Å1.36ÅAromatic
C23C24sing1.36Å1.38ÅAromatic
C22N05sing1.36Å1.36ÅAromatic
C24C25doub1.37Å1.38ÅAromatic
N05IR1sing2.26Å2.04Å
N05C26doub1.35Å1.37ÅAromatic
IR1N04sing2.34Å2.06Å
IR1C21sing2.12Å2.03Å
IR1C32sing2.09Å2.01Å
C11N04doub1.36Å1.35ÅAromatic
C11C12sing1.39Å1.38ÅAromatic
N04C15sing1.31Å1.37ÅAromatic
C12C13doub1.36Å1.38ÅAromatic
C25C26sing1.39Å1.38ÅAromatic
C26C27sing1.47Å1.48Å
C21C20doub1.40Å1.40ÅAromatic
C21C16sing1.33Å1.40ÅAromatic
C20C19sing1.39Å1.39ÅAromatic
C15C16sing1.46Å1.48Å
C15C14doub1.38Å1.39ÅAromatic
C13C14sing1.37Å1.38ÅAromatic
C32C27doub1.39Å1.41ÅAromatic
C32C31sing1.40Å1.39ÅAromatic
C16C17doub1.39Å1.41ÅAromatic
C27C28sing1.40Å1.40ÅAromatic
C19F03sing1.36Å1.35Å
C19C18doub1.34Å1.38ÅAromatic
C17C18sing1.36Å1.38ÅAromatic
C17F04sing1.34Å1.35Å
C31C30doub1.37Å1.38ÅAromatic
C28F02sing1.34Å1.35Å
C28C29doub1.36Å1.39ÅAromatic
C30C29sing1.33Å1.38ÅAromatic
C30F01sing1.37Å1.35Å
C01H1sing0.93Å1.08Å
C03H2sing0.94Å1.08Å
C04H3sing0.94Å1.08Å
C07H4sing0.94Å1.08Å
C08H5sing0.94Å1.08Å
C09H6sing0.94Å1.08Å
C10H7sing0.93Å1.08Å
C11H8sing0.94Å1.08Å
C12H9sing0.94Å1.08Å
C13H10sing0.94Å1.08Å
C14H11sing0.94Å1.08Å
C18H12sing0.94Å1.08Å
C20H13sing0.94Å1.08Å
C22H14sing0.92Å1.08Å
C23H15sing0.94Å1.08Å
C24H16sing0.94Å1.08Å
C25H17sing0.94Å1.08Å
C29H18sing0.94Å1.08Å
C31H19sing0.91Å1.08Å
C33H20sing0.98Å1.10Å
C33H21sing0.98Å1.10Å
C35H22sing0.97Å1.10Å
C35H23sing0.97Å1.10Å
C36H24sing0.97Å1.10Å
C36H25sing0.97Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
O01C34C35127.7°126.6°
O01C34N01129.2°125.3°
C34C35C36107.7°104.8°
C35C34N01103.0°108.0°
C34C35H22109.9°110.7°
C34C35H23109.9°110.7°
C35C36C37107.9°104.8°
C36C35H22109.9°110.9°
C36C35H23109.9°110.9°
C35C36H24109.8°110.9°
C35C36H25109.9°110.9°
C34N01C33116.0°124.1°
C34N01C37110.8°112.0°
C04C03C02119.2°119.9°
C03C04C05119.2°119.4°
C04C03H2120.4°119.9°
C03C04H3120.4°119.7°
C03C02C33119.7°119.4°
C03C02C01119.1°116.3°
C02C03H2120.4°120.2°
C04C05C06122.7°120.6°
C04C05N02122.0°122.9°
C05C04H3120.4°120.8°
C36C37N01103.9°108.2°
C36C37O02126.7°126.2°
C37C36H24109.9°110.7°
C37C36H25109.8°110.7°
C33N01C37116.1°123.9°
N01C33C02113.6°118.7°
N01C33H20108.4°108.4°
N01C33H21108.4°107.4°
N01C37O02127.6°125.6°
C33C02C01121.1°124.3°
C02C33H20108.4°107.8°
C02C33H21108.4°107.4°
C08C07C06119.2°119.4°
C07C08C09119.9°118.7°
C08C07H4120.4°119.9°
C07C08H5120.0°120.5°
C07C06C05123.9°121.8°
C07C06N03120.7°123.1°
C06C07H4120.4°120.5°
C02C01N02122.0°126.3°
C02C01H1119.0°116.4°
C08C09C10118.4°118.7°
C09C08H5120.1°120.8°
C08C09H6120.8°120.7°
C06C05N02115.3°116.6°
C05C06N03115.5°114.6°
C05N02C01118.5°115.0°
C05N02IR1116.2°112.1°
C06N03C10119.9°115.1°
C06N03IR1116.5°112.0°
C01N02IR1125.3°129.5°
N02C01H1119.0°117.1°
N02IR1N0376.6°72.6°
N02IR1N0599.2°88.1°
N02IR1N0493.0°109.2°
N02IR1C2197.8°96.2°
N02IR1C32172.2°153.8°
C09C10N03122.0°124.7°
C10C09H6120.8°120.6°
C09C10H7119.0°117.3°
C10N03IR1123.7°124.9°
N03C10H7119.0°117.6°
N03IR1N0586.3°115.0°
N03IR1N0499.4°78.1°
N03IR1C21174.3°161.1°
N03IR1C3295.6°95.2°
C22C23C24119.5°118.7°
C23C22N05121.5°126.1°
C23C22H14119.3°116.3°
C22C23H15120.3°120.6°
C23C24C25119.9°118.0°
C24C23H15120.3°120.7°
C23C24H16120.0°121.1°
C22N05IR1123.6°131.6°
C22N05C26119.5°112.3°
N05C22H14119.2°117.2°
C24C25C26119.2°119.7°
C25C24H16120.1°120.9°
C24C25H17120.4°120.0°
IR1N05C26116.9°112.1°
N05IR1N04167.4°161.4°
N05IR1C2195.7°79.0°
N05IR1C3279.7°76.0°
N05C26C25120.5°124.2°
N05C26C27113.5°114.5°
N04IR1C2179.7°91.9°
N04IR1C3288.5°90.1°
IR1N04C11124.4°138.6°
IR1N04C15116.4°79.1°
C21IR1C3290.0°100.9°
IR1C21C20126.7°130.0°
IR1C21C16115.4°80.7°
IR1C32C27116.1°115.9°
IR1C32C31126.8°129.2°
N04C11C12122.9°124.6°
C11N04C15119.1°114.0°
N04C11H8118.6°117.6°
C11C12C13118.8°118.4°
C12C11H8118.5°117.3°
C11C12H9120.6°120.8°
N04C15C16113.9°113.1°
N04C15C14119.3°125.5°
C12C13C14118.7°118.0°
C13C12H9120.6°120.8°
C12C13H10120.7°121.2°
C25C26C27126.0°120.5°
C26C25H17120.4°120.2°
C26C27C32113.8°113.8°
C26C27C28124.7°120.5°
C20C21C16117.8°110.6°
C21C20C19120.7°123.2°
C21C20H13119.7°120.5°
C21C16C15114.5°116.9°
C21C16C17121.0°129.0°
C20C19F03119.3°121.7°
C20C19C18121.1°121.1°
C19C20H13119.6°115.8°
C16C15C14126.8°120.7°
C15C16C17124.5°113.7°
C15C14C13121.2°119.1°
C15C14H11119.4°120.2°
C14C13H10120.6°120.8°
C13C14H11119.4°120.6°
C27C32C31117.1°108.2°
C32C27C28121.6°125.1°
C32C31C30121.5°128.2°
C32C31H19119.3°119.3°
C16C17C18119.7°117.4°
C16C17F04121.6°121.1°
C27C28F02121.8°122.9°
C27C28C29119.2°120.2°
F03C19C18119.6°117.2°
C19C18C17119.7°118.2°
C19C18H12120.1°121.0°
C18C17F04118.6°121.4°
C17C18H12120.2°120.8°
C31C30C29120.9°119.0°
C31C30F01118.4°121.1°
C30C31H19119.3°112.1°
F02C28C29119.0°116.8°
C28C29C30119.7°118.4°
C28C29H18120.2°120.7°
C29C30F01120.6°119.8°
C30C29H18120.2°120.8°
H20C33H21109.5°106.6°
H22C35H23109.5°108.8°
H24C36H25109.5°108.8°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
O01C34C35N01175.6°179.7°
O01C34C35C36164.7°167.0°
O01C34N01C3322.2°3.9°
O01C34N01C37157.4°173.7°
O01C34C35H2275.6°73.3°
O01C34C35H2345.0°47.4°
C34C35C36H22119.7°119.5°
C34C35C36H23119.7°119.5°
C34C35C36C376.4°14.6°
C35C34N01C33162.3°175.8°
C35C34N01C3727.1°6.6°
C34C35H22H23120.8°121.9°
C34C35C36H24126.1°134.1°
C34C35C36H25113.4°104.9°
C36C35C34N0119.7°13.3°
C35C36C37H24119.7°119.6°
C35C36C37H25119.8°119.7°
C35C36C37N019.8°11.3°
C35C36C37O02175.2°170.2°
C36C35H22H23120.8°122.2°
C35C36H24H25120.7°122.3°
C34N01C37C3623.4°3.2°
C34N01C33C37132.7°177.4°
C34N01C33C0292.1°81.5°
C34N01C37O02171.4°178.3°
C34N01C33H2028.6°155.2°
C34N01C33H21147.3°40.4°
N01C34C35H22100.0°106.4°
N01C34C35H23139.4°132.9°
C04C03C02H2180.0°179.1°
C03C04C05H3180.0°176.7°
C04C03C02C33179.9°179.9°
C04C03C02C010.6°0.3°
C03C04C05C06179.9°178.4°
C03C04C05N020.0°0.7°
C02C03C04C050.1°1.7°
C03C02C33N0187.1°175.3°
C03C02C33C01179.3°179.6°
C03C02C01N021.1°3.6°
C03C02C01H1178.9°179.1°
C02C03C04H3179.9°178.4°
C03C02C33H2033.5°61.1°
C03C02C33H21152.3°53.4°
C04C05C06C070.2°32.3°
C04C05C06N02179.8°179.1°
C04C05C06N03179.6°139.8°
C04C05N02C010.4°2.2°
C04C05N02IR1179.7°159.3°
C05C04C03H2179.9°179.2°
C36C37N01C33158.4°174.5°
C36C37N01O02165.2°178.6°
C37C36C35H22113.4°104.9°
C37C36C35H23126.0°134.1°
C37C36H24H25120.7°121.8°
N01C33C02H20120.6°123.6°
N01C33C02H21120.6°121.9°
N01C33C02C0193.6°5.1°
C33N01C37O0236.3°4.0°
N01C33H20H21118.1°115.3°
C37N01C33C0240.7°101.1°
C37N01C33H20161.3°22.2°
C37N01C33H2179.9°137.0°
N01C37C36H24110.0°130.9°
N01C37C36H25129.5°108.4°
C33C02C01N02179.6°176.8°
C33C02C01H10.4°1.3°
C33C02C03H20.1°0.7°
C02C33H20H21118.2°115.0°
C08C07C06H4180.0°174.7°
C07C08C09H5180.0°179.0°
C08C07C06C05180.0°176.4°
C08C07C06N030.7°4.9°
C07C08C09C100.1°0.7°
C07C08C09H6179.9°179.4°
C06C07C08C090.0°4.1°
C07C06C05N03179.4°172.1°
C07C06C05N02180.0°148.5°
C07C06N03C101.2°0.6°
C07C06N03IR1179.6°151.3°
C06C07C08H5180.0°176.9°
C02C01N02C051.0°4.5°
C02C01N02H1180.0°175.5°
C02C01N02IR1179.2°153.1°
C01C02C03H2179.4°178.9°
C01C02C33H20145.8°118.4°
C01C02C33H2127.0°127.0°
O02C37C36H2455.5°50.5°
O02C37C36H2565.0°70.2°
C08C09C10H6180.0°178.7°
C08C09C10N030.4°5.3°
C09C08C07H4180.0°178.8°
C08C09C10H7179.6°177.8°
C06C05N02C01179.7°178.7°
C06C05N02IR10.1°19.8°
C05C06N03C10179.4°172.6°
C05C06N03IR11.0°36.7°
C06C05C04H30.1°1.7°
C05C06C07H40.0°8.9°
N02C05C06N030.6°39.4°
C05N02C01IR1179.8°157.6°
C05N02IR1N030.5°0.8°
C05N02IR1N0583.5°116.1°
C05N02IR1N0499.4°71.0°
C05N02IR1C21179.4°165.2°
C05N02IR1C322.1°64.2°
C05N02C01H1179.0°179.9°
N02C05C04H3180.0°177.4°
C06N03IR1N020.8°19.4°
C06N03C10C091.1°4.5°
C06N03C10IR1178.2°146.4°
C06N03IR1N0599.5°98.8°
C06N03IR1N0491.7°95.3°
C06N03IR1C2111.5°36.1°
C06N03IR1C32178.8°175.7°
N03C06C07H4179.3°179.6°
C06N03C10H7178.9°177.0°
C01N02IR1N03179.3°158.9°
C01N02IR1N0596.7°42.0°
C01N02IR1N0480.4°130.9°
C01N02IR1C210.4°36.7°
C01N02IR1C32178.1°93.9°
N02IR1N03C10179.1°166.6°
N02IR1N03N05100.4°79.4°
N02IR1N03N0490.9°114.7°
N02IR1N03C2110.7°55.5°
N02IR1N03C32179.7°156.3°
N02IR1N05C228.2°39.7°
N02IR1N05N04166.7°158.4°
N02IR1N05C2198.9°96.7°
N02IR1N05C32172.2°159.0°
N02IR1N05C26172.6°165.0°
N02IR1N04C2197.4°97.2°
N02IR1N04C32172.3°161.9°
N02IR1C21C32179.8°160.1°
N02IR1N04C1184.0°129.9°
N02IR1N04C1598.1°116.0°
N02IR1C21C2087.2°19.9°
N02IR1C21C1692.2°89.3°
N02IR1C32C2782.9°42.6°
N02IR1C32C3196.8°105.1°
IR1N02C01H10.8°22.4°
C09C10N03H7180.0°172.5°
C09C10N03IR1179.3°141.8°
C10C09C08H5179.9°178.4°
C10N03IR1N0578.8°114.0°
C10N03IR1N0490.0°51.9°
C10N03IR1C21170.2°111.1°
C10N03IR1C320.5°37.0°
N03C10C09H6179.6°176.0°
N03IR1N05C2284.0°109.5°
N03IR1N05N04117.5°131.8°
N03IR1N05C21174.7°166.5°
N03IR1N05C3296.4°89.2°
N03IR1N05C2696.9°95.2°
N03IR1N04C21174.3°163.8°
N03IR1N04C3295.4°95.3°
N03IR1C21C32169.7°147.6°
N03IR1N04C117.1°63.3°
N03IR1N04C15175.0°177.3°
N03IR1C21C2097.7°72.2°
N03IR1C21C1681.7°37.0°
N03IR1C32C2785.4°102.9°
N03IR1C32C3194.3°44.9°
IR1N03C10H70.7°30.7°
C22C23C24H15180.0°178.2°
C23C22N05H14180.0°172.2°
C22C23C24C250.4°2.1°
C23C22N05IR1179.6°144.5°
C23C22N05C260.5°10.8°
C22C23C24H16179.6°178.4°
C24C23C22N050.4°6.4°
C23C24C25H16180.0°179.4°
C23C24C25C260.5°3.5°
C24C23C22H14179.7°178.6°
C23C24C25H17179.4°179.5°
C22N05IR1C26179.1°155.3°
C22N05IR1N04158.5°118.7°
C22N05IR1C2190.7°57.0°
C22N05IR1C32179.6°161.3°
C22N05C26C250.6°12.0°
C22N05C26C27179.9°178.3°
N05C22C23H15179.6°175.4°
C24C25C26N050.7°9.1°
C24C25C26H17180.0°176.0°
C24C25C26C27179.9°178.3°
C25C24C23H15179.6°179.7°
N05IR1N04C2169.4°59.9°
N05IR1N04C3220.8°41.0°
N05IR1C21C3279.7°73.2°
N05IR1N04C11109.1°73.0°
N05IR1N04C1568.7°41.0°
IR1N05C26C25179.8°148.3°
IR1N05C26C270.7°21.4°
N05IR1C21C2012.9°67.0°
N05IR1C21C16167.7°176.2°
N05IR1C32C270.1°11.6°
N05IR1C32C31179.5°159.3°
IR1N05C22H140.4°27.6°
C26N05IR1N0420.7°36.6°
C26N05IR1C2188.4°98.3°
C26N05IR1C320.5°6.0°
N05C26C25C27179.4°169.2°
N05C26C27C320.6°32.1°
N05C26C27C28179.9°139.3°
C26N05C22H14179.6°177.1°
N05C26C25H17179.3°174.8°
N04IR1C21C3288.5°90.4°
IR1N04C11C15177.8°101.1°
IR1N04C11C12179.3°95.6°
N04IR1C21C20178.9°129.4°
N04IR1C21C160.5°20.2°
IR1N04C15C160.8°51.8°
IR1N04C15C14179.3°137.9°
N04IR1C32C27175.4°179.1°
N04IR1C32C315.0°33.2°
IR1N04C11H80.7°76.1°
C21IR1N04C11178.5°132.9°
C21IR1N04C150.7°18.8°
IR1C21C20C16179.4°95.2°
IR1C21C20C19179.8°89.6°
IR1C21C16C150.2°59.8°
C21IR1C32C2795.7°87.1°
C21IR1C32C3184.7°125.1°
IR1C21C16C17179.5°127.9°
IR1C21C20H130.2°82.0°
C32IR1N04C1188.3°32.0°
C32IR1N04C1589.5°82.1°
IR1C32C27C260.2°26.7°
C32IR1C21C2092.6°140.2°
C32IR1C21C1688.0°110.6°
IR1C32C27C31179.7°154.2°
IR1C32C27C28179.5°144.3°
IR1C32C31C30179.6°140.4°
IR1C32C31H190.4°31.7°
N04C11C12H8180.0°171.6°
N04C11C12C130.7°5.3°
C11N04C15C16178.7°169.6°
C11N04C15C141.3°0.8°
N04C11C12H9179.3°173.4°
C12C11N04C151.5°5.5°
C11C12C13H9180.0°178.7°
C11C12C13C140.2°0.0°
C11C12C13H10179.8°178.8°
N04C15C16C210.4°106.2°
N04C15C16C14179.9°170.9°
N04C15C14C130.5°4.1°
N04C15C16C17178.9°80.3°
C15N04C11H8178.5°177.1°
N04C15C14H11179.6°179.1°
C12C13C14C150.3°4.2°
C12C13C14H10180.0°178.8°
C13C12C11H8179.3°176.9°
C12C13C14H11179.6°179.0°
C25C26C27C32179.9°138.0°
C25C26C27C280.7°50.6°
C26C25C24H16179.4°177.1°
C26C27C32C28179.3°170.9°
C26C27C32C31179.9°179.1°
C26C27C28F020.3°4.7°
C26C27C28C29179.9°178.0°
C27C26C25H170.1°5.6°
C21C20C19H13180.0°171.9°
C20C21C16C15179.2°170.9°
C20C21C16C170.1°1.4°
C21C20C19F03179.9°175.2°
C21C20C19C180.4°5.7°
C16C21C20C190.5°5.6°
C21C16C15C17179.3°173.5°
C21C16C15C14179.7°83.0°
C21C16C17C180.3°2.9°
C21C16C17F04180.0°179.6°
C16C21C20H13179.5°177.2°
C20C19F03C18179.6°179.1°
C20C19C18C170.0°0.9°
C20C19C18H12180.0°178.3°
C16C15C14C13179.6°173.7°
C15C16C17C18179.6°175.4°
C15C16C17F040.7°7.1°
C16C15C14H110.3°9.5°
C15C14C13H11180.0°176.8°
C14C15C16C171.0°90.5°
C15C14C13H10179.7°176.9°
C14C13C12H9179.8°178.7°
C27C32C31C300.8°9.2°
C32C27C28F02179.5°175.1°
C32C27C28C290.8°7.6°
C27C32C31H19179.2°178.7°
C31C32C27C280.8°9.9°
C32C31C30H19180.0°172.5°
C32C31C30C290.6°5.7°
C32C31C30F01179.9°175.9°
C16C17C18C190.4°3.0°
C16C17C18F04179.7°177.5°
C16C17C18H12179.6°177.7°
C27C28F02C29179.7°177.3°
C27C28C29C300.6°2.6°
C27C28C29H18179.4°177.4°
F03C19C18C17179.6°179.9°
F03C19C18H120.4°0.8°
F03C19C20H130.1°3.3°
C19C18C17H12180.0°179.3°
C19C18C17F04179.9°179.5°
C18C19C20H13179.6°177.7°
F04C17C18H120.1°0.2°
C31C30C29C280.5°1.6°
C31C30C29F01179.4°178.5°
C31C30C29H18179.5°178.4°
F02C28C29C30179.7°180.0°
F02C28C29H180.3°0.0°
C28C29C30H18180.0°180.0°
C28C29C30F01180.0°180.0°
C29C30C31H19179.4°178.2°
F01C30C29H180.0°0.1°
F01C30C31H190.1°3.4°
H2C03C04H30.1°2.5°
H4C07C08H50.0°2.2°
H5C08C09H60.1°0.3°
H6C09C10H70.4°3.5°
H8C11C12H90.7°1.8°
H9C12C13H100.2°2.5°
H10C13C14H110.4°0.1°
H14C22C23H150.3°3.2°
H15C23C24H160.4°0.2°
H16C24C25H170.6°1.1°
H22C35C36H246.4°14.6°
H22C35C36H25126.9°135.6°
H23C35C36H24114.2°106.5°
H23C35C36H256.3°14.6°

258009

PDB entries from 2026-08-12

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