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SummaryGeometryRelated PDB entries

K4S

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
C01N02sing1.46Å1.45Å
N02C03sing1.35Å1.43Å
O04C03doub1.22Å1.20Å
C03C05sing1.47Å1.51Å
C29C30sing1.53Å1.48Å
C29C28sing1.53Å1.49Å
C30C28sing1.53Å1.51Å
C05C27sing1.48Å1.43ÅAromatic
C05C06doub1.39Å1.41ÅAromatic
C26C27doub1.39Å1.45ÅAromatic
C26C25sing1.38Å1.41ÅAromatic
C32C33doub1.38Å1.41ÅAromatic
C32C31sing1.40Å1.41ÅAromatic
O20B18sing1.42Å1.44Å
C33C34sing1.39Å1.37ÅAromatic
C28C25sing1.51Å1.52Å
C27C08sing1.40Å1.38ÅAromatic
C06C31sing1.47Å1.40Å
C06O07sing1.34Å1.36ÅAromatic
C31C37doub1.40Å1.37ÅAromatic
C25C10doub1.39Å1.42ÅAromatic
C34F35sing1.35Å1.33Å
C34C36doub1.39Å1.39ÅAromatic
O19B18sing1.42Å1.41Å
B18C15sing1.57Å1.62Å
C16C15doub1.40Å1.38ÅAromatic
C16C17sing1.37Å1.42ÅAromatic
C37C36sing1.38Å1.41ÅAromatic
C15C14sing1.40Å1.41ÅAromatic
C08O07sing1.35Å1.38ÅAromatic
C08C09doub1.39Å1.41ÅAromatic
C17C12doub1.39Å1.43ÅAromatic
C10C09sing1.39Å1.41ÅAromatic
C10N11sing1.40Å1.44Å
C14C13doub1.37Å1.43ÅAromatic
C12C13sing1.39Å1.37ÅAromatic
C12N11sing1.39Å1.44Å
N11S21sing1.66Å1.61Å
S21O23doub1.42Å1.45Å
S21C22sing1.81Å1.74Å
S21O24doub1.42Å1.46Å
C01H1sing1.09Å1.10Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
N02H4sing0.97Å1.00Å
C09H5sing1.08Å1.08Å
C13H6sing1.08Å1.08Å
C14H7sing1.08Å1.08Å
C16H8sing1.08Å1.08Å
C17H9sing1.08Å1.08Å
O19H10sing0.97Å0.95Å
O20H11sing0.97Å0.95Å
C22H12sing1.09Å1.10Å
C22H13sing1.09Å1.10Å
C22H14sing1.09Å1.10Å
C26H15sing1.08Å1.08Å
C28H16sing1.09Å1.10Å
C29H17sing1.09Å1.10Å
C29H18sing1.09Å1.10Å
C30H19sing1.09Å1.10Å
C30H20sing1.09Å1.10Å
C32H21sing1.08Å1.08Å
C33H22sing1.08Å1.08Å
C36H23sing1.08Å1.08Å
C37H24sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C01N02C03119.9°120.0°
N02C01H1109.5°109.5°
N02C01H2109.5°109.5°
N02C01H3109.5°109.5°
C01N02H4120.0°119.9°
N02C03O04120.1°119.9°
N02C03C05122.8°120.0°
C03N02H4120.0°120.0°
O04C03C05117.1°120.0°
C03C05C27124.1°127.3°
C03C05C06128.8°127.2°
C30C29C2861.2°60.0°
C29C30C2859.7°59.9°
C30C29H17119.8°117.5°
C30C29H18119.8°117.5°
C29C30H19120.0°117.5°
C29C30H20120.1°117.5°
C29C28C3059.1°60.1°
C29C28C25133.4°117.5°
C29C28H16111.4°117.5°
C28C29H17119.8°117.6°
C28C29H18119.8°117.5°
C30C28C25120.0°117.5°
C30C28H16111.0°117.5°
C28C30H19120.0°117.5°
C28C30H20120.1°117.5°
C27C05C06107.1°105.5°
C05C27C26133.7°133.9°
C05C27C08106.2°105.7°
C05C06C31132.2°125.4°
C05C06O07108.7°109.3°
C27C26C25119.7°119.7°
C26C27C08120.1°120.4°
C27C26H15120.1°120.1°
C26C25C28122.0°119.9°
C26C25C10119.2°120.1°
C25C26H15120.1°120.2°
C33C32C31120.5°119.9°
C32C33C34119.2°120.1°
C33C32H21119.8°120.1°
C32C33H22120.4°120.0°
C32C31C06120.1°120.1°
C32C31C37120.2°119.7°
C31C32H21119.8°120.1°
O20B18O19118.3°120.0°
O20B18C15116.8°120.0°
B18O20H11109.5°114.0°
C33C34F35119.6°119.8°
C33C34C36120.6°120.3°
C34C33H22120.4°119.9°
C28C25C10118.7°120.0°
C25C28H16110.9°115.5°
C27C08O07109.6°108.1°
C27C08C09120.5°119.2°
C31C06O07118.8°125.3°
C06C31C37119.2°120.1°
C06O07C08108.5°111.5°
C31C37C36118.7°119.9°
C31C37H24120.6°120.1°
C25C10C09120.6°120.6°
C25C10N11122.6°119.7°
F35C34C36119.8°119.9°
C34C36C37120.7°120.1°
C34C36H23119.7°119.9°
O19B18C15118.2°120.0°
B18O19H10109.5°114.0°
B18C15C16121.3°120.0°
B18C15C14119.0°120.1°
C15C16C17119.7°119.9°
C16C15C14119.7°119.9°
C15C16H8120.2°120.0°
C16C17C12121.1°120.1°
C17C16H8120.2°120.1°
C16C17H9119.5°120.0°
C37C36H23119.7°119.9°
C36C37H24120.6°120.1°
C15C14C13120.3°120.0°
C15C14H7119.8°120.0°
O07C08C09130.0°132.7°
C08C09C10119.9°120.0°
C08C09H5120.0°120.0°
C17C12C13118.6°120.1°
C17C12N11118.6°120.0°
C12C17H9119.5°119.9°
C09C10N11116.8°119.7°
C10C09H5120.1°120.1°
C10N11C12117.1°120.0°
C10N11S21117.5°120.0°
C14C13C12120.6°120.0°
C14C13H6119.7°119.9°
C13C14H7119.9°120.0°
C13C12N11122.8°120.0°
C12C13H6119.7°120.0°
C12N11S21125.5°119.9°
N11S21O23113.2°104.3°
N11S21C22114.8°104.4°
N11S21O24110.2°104.3°
O23S21C22106.7°110.5°
O23S21O24100.4°121.0°
C22S21O24110.7°110.5°
S21C22H12109.5°109.5°
S21C22H13109.5°109.5°
S21C22H14109.4°109.5°
H1C01H2109.5°109.5°
H1C01H3109.5°109.5°
H2C01H3109.5°109.4°
H12C22H13109.5°109.4°
H12C22H14109.5°109.5°
H13C22H14109.5°109.4°
H17C29H18109.5°115.5°
H19C30H20109.5°115.6°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C01N02C03H4180.0°180.0°
C01N02C03O040.5°0.0°
C01N02C03C05179.5°180.0°
N02C01H1H2120.0°120.1°
N02C01H1H3120.0°120.0°
N02C01H2H3120.0°120.0°
N02C03O04C05179.1°180.0°
N02C03C05C27109.4°90.0°
N02C03C05C0670.5°90.3°
C03N02C01H1180.0°60.0°
C03N02C01H260.0°180.0°
C03N02C01H360.0°60.0°
O04C03C05C2771.5°90.0°
O04C03C05C06108.6°89.6°
O04C03N02H4179.6°180.0°
C03C05C27C06179.9°179.7°
C03C05C27C261.3°0.8°
C03C05C27C08178.9°179.8°
C03C05C06C314.9°0.1°
C03C05C06O07178.3°180.0°
C05C03N02H40.5°0.0°
C30C29C28H17109.8°107.5°
C30C29C28H18109.8°107.4°
C29C30C28H19109.4°107.5°
C29C30C28H20109.4°107.4°
C30C29C28C25103.6°107.5°
C30C29C28H16102.4°107.5°
C30C29H17H18144.1°145.6°
C29C30H19H20144.9°145.6°
C29C28C25C2648.2°60.0°
C29C28C25H16154.1°145.6°
C29C28C25C10129.3°120.0°
C28C29H17H18144.1°145.8°
C30C28C25C2626.0°8.8°
C30C28C25H16131.6°145.6°
C30C28C25C10156.4°171.2°
C28C30H19H20144.9°145.8°
C05C27C26C08179.7°178.9°
C05C27C26C25179.3°179.6°
C27C05C06C31175.2°179.8°
C27C05C06O071.7°0.3°
C05C27C08O070.1°0.4°
C05C27C08C09179.5°179.9°
C05C27C26H150.7°0.0°
C06C05C27C26178.7°179.5°
C05C06C31C3228.2°0.3°
C06C05C27C081.1°0.5°
C05C06C31O07172.9°179.9°
C05C06C31C37159.7°180.0°
C05C06O07C081.7°0.0°
C27C26C25H15180.0°179.6°
C27C26C25C28179.2°179.7°
C27C26C25C101.7°0.3°
C26C27C08O07179.7°179.6°
C26C27C08C090.4°0.7°
C26C25C28C10177.6°180.0°
C25C26C27C081.0°0.6°
C26C25C10C091.1°0.0°
C26C25C10N11177.9°180.0°
C26C25C28H16157.7°154.4°
C33C32C31H21180.0°180.0°
C32C33C34H22180.0°180.0°
C33C32C31C06175.8°180.0°
C33C32C31C373.8°0.3°
C32C33C34F35179.0°180.0°
C32C33C34C360.8°0.0°
C31C32C33C341.4°0.0°
C32C31C06C37172.1°179.7°
C32C31C06O07144.7°179.8°
C32C31C37C363.9°0.6°
C31C32C33H22178.6°180.0°
C32C31C37H24176.1°179.7°
O20B18O19C15150.3°180.0°
O20B18C15C16122.4°0.1°
O20B18C15C1458.3°180.0°
O20B18O19H10180.0°0.0°
C33C34F35C36178.2°180.0°
C33C34C36C370.6°0.3°
C34C33C32H21178.6°180.0°
C33C34C36H23179.4°180.0°
C28C25C10C09178.7°180.0°
C28C25C10N110.3°0.1°
C28C25C26H150.8°0.7°
C25C28C29H176.2°145.0°
C25C28C29H18146.6°0.1°
C25C28C30H19125.2°0.1°
C25C28C30H2016.0°145.0°
C27C08O07C061.0°0.3°
C27C08O07C09179.3°179.6°
C27C08C09C101.0°0.4°
C27C08C09H5179.0°179.7°
C08C27C26H15179.0°178.9°
C06C31C37C36176.0°179.8°
C31C06O07C08176.1°179.9°
C06C31C32H214.2°0.0°
C06C31C37H244.0°0.0°
O07C06C31C3727.4°0.1°
C06O07C08C09178.3°179.9°
C31C37C36C341.8°0.6°
C31C37C36H24180.0°179.7°
C37C31C32H21176.2°179.7°
C31C37C36H23178.2°179.8°
C25C10C09C080.3°0.1°
C25C10C09N11179.1°179.9°
C25C10N11C1271.3°95.0°
C25C10N11S21108.9°85.0°
C25C10C09H5179.7°179.9°
C10C25C26H15178.3°179.2°
C10C25C28H1624.8°25.6°
F35C34C36C37178.8°179.7°
F35C34C33H221.0°0.0°
F35C34C36H231.2°0.0°
C34C36C37H23180.0°179.7°
C36C34C33H22179.2°180.0°
C34C36C37H24178.2°179.7°
O19B18C15C1628.4°180.0°
O19B18C15C14151.0°0.1°
O19B18O20H11180.0°0.0°
B18C15C16C14179.3°179.9°
B18C15C16C17179.5°179.7°
B18C15C14C13179.6°180.0°
B18C15C14H70.4°0.1°
B18C15C16H80.5°0.1°
C15B18O19H1029.7°180.0°
C15B18O20H1129.3°179.9°
C15C16C17H8180.0°179.9°
C15C16C17C120.3°0.5°
C16C15C14C131.0°0.1°
C16C15C14H7178.9°180.0°
C15C16C17H9179.7°179.9°
C17C16C15C140.2°0.2°
C16C17C12H9180.0°179.4°
C16C17C12C130.1°0.6°
C16C17C12N11178.1°179.8°
C15C14C13H7180.0°179.9°
C15C14C13C121.5°0.0°
C15C14C13H6178.6°179.9°
C14C15C16H8179.8°180.0°
O07C08C09C10179.8°180.0°
O07C08C09H50.2°0.1°
C08C09C10H5180.0°179.9°
C08C09C10N11179.3°180.0°
C17C12N11C1036.2°116.2°
C17C12C13C141.0°0.4°
C17C12C13N11177.8°179.6°
C17C12N11S21143.6°63.8°
C17C12C13H6179.0°179.8°
C12C17C16H8179.7°179.6°
C09C10N11C12107.8°85.0°
C09C10N11S2172.1°95.0°
C10N11C12C13141.6°63.4°
C10N11C12S21179.8°180.0°
C10N11S21O230.4°148.4°
C10N11S21C22123.2°95.5°
C10N11S21O24111.1°20.5°
N11C10C09H50.7°0.1°
C14C13C12H6180.0°179.9°
C14C13C12N11178.8°179.9°
C13C12N11S2138.6°116.6°
C12C13C14H7178.5°179.9°
C13C12C17H9179.9°180.0°
C12N11S21O23179.8°31.6°
C12N11S21C2257.0°84.4°
C12N11S21O2468.7°159.5°
N11C12C13H61.2°0.2°
N11C12C17H91.9°0.4°
N11S21O23C22127.2°111.7°
N11S21O23O24117.4°116.8°
N11S21C22O24125.4°111.6°
N11S21C22H12180.0°51.7°
N11S21C22H1360.0°171.6°
N11S21C22H1460.0°68.4°
O23S21C22O24108.3°136.7°
O23S21C22H1253.7°60.0°
O23S21C22H13173.7°60.0°
O23S21C22H1466.3°180.0°
S21C22H12H13120.0°120.0°
S21C22H12H14120.0°120.1°
S21C22H13H14120.0°120.0°
O24S21C22H1254.6°163.3°
O24S21C22H1365.4°76.8°
O24S21C22H14174.6°43.2°
H1C01H2H3120.0°119.9°
H1C01N02H40.0°120.0°
H2C01N02H4120.0°0.0°
H3C01N02H4120.0°120.0°
H6C13C14H71.5°0.1°
H8C16C17H90.3°0.2°
H12C22H13H14120.0°119.9°
H16C28C29H17147.8°0.0°
H16C28C29H187.4°145.0°
H16C28C30H196.4°145.0°
H16C28C30H20147.6°0.1°
H17C29C30H19140.8°144.9°
H17C29C30H200.4°0.0°
H18C29C30H190.5°0.0°
H18C29C30H20140.8°145.0°
H21C32C33H221.3°0.0°
H23C36C37H241.8°0.0°

224931

PDB entries from 2024-09-11

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