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6IR

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
C28N5sing1.47Å1.47Å
C28C27sing1.53Å1.52Å
C27N4sing1.46Å1.49Å
N4S2sing1.66Å1.64Å
O4S2doub1.42Å1.44Å
S2O3doub1.42Å1.43Å
S2C16sing1.76Å1.66Å
C13C16doub1.38Å1.40ÅAromatic
C13C12sing1.38Å1.40ÅAromatic
C16C15sing1.38Å1.40ÅAromatic
C12C11doub1.39Å1.43ÅAromatic
C15C14doub1.38Å1.42ÅAromatic
O2C10doub1.21Å1.36Å
C11C14sing1.39Å1.40ÅAromatic
C11N3sing1.40Å1.40Å
C10N3sing1.35Å1.41Å
C10C9sing1.51Å1.49Å
C9C8sing1.53Å1.53Å
C8C7sing1.53Å1.58Å
C7C6sing1.53Å1.51Å
C6C5sing1.53Å1.57Å
C5C4sing1.54Å1.58Å
C5S1sing1.85Å1.80Å
N2C4sing1.47Å1.49Å
N2C1sing1.34Å1.42Å
C4C2sing1.53Å1.60Å
S1C3sing1.84Å1.84Å
C1O1doub1.22Å1.36Å
C1N1sing1.34Å1.46Å
C2C3sing1.54Å1.58Å
C2N1sing1.47Å1.49Å
N1H1sing0.97Å1.00Å
C2H2sing1.09Å1.10Å
N2H3sing0.97Å1.00Å
C3H4sing1.09Å1.10Å
C3H5sing1.09Å1.10Å
N3H6sing0.97Å1.00Å
C4H7sing1.09Å1.10Å
N4H8sing0.97Å1.00Å
C5H9sing1.09Å1.10Å
N5H10sing1.01Å1.00Å
N5H11sing1.01Å1.00Å
C6H13sing1.09Å1.10Å
C6H14sing1.09Å1.10Å
C7H15sing1.09Å1.10Å
C7H16sing1.09Å1.10Å
C8H17sing1.09Å1.10Å
C8H18sing1.09Å1.10Å
C9H19sing1.09Å1.10Å
C9H20sing1.09Å1.10Å
C12H21sing1.08Å1.08Å
C13H22sing1.08Å1.08Å
C14H23sing1.08Å1.08Å
C15H24sing1.08Å1.08Å
C27H25sing1.09Å1.10Å
C27H26sing1.09Å1.10Å
C28H27sing1.09Å1.10Å
C28H28sing1.09Å1.10Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N5C28C27107.2°109.5°
C28N5H10109.5°111.0°
C28N5H11109.4°111.0°
N5C28H27110.0°109.5°
N5C28H28110.0°109.5°
C28C27N4113.0°109.5°
C28C27H25108.6°109.4°
C28C27H26108.6°109.4°
C27C28H27110.1°109.5°
C27C28H28110.0°109.5°
C27N4S2115.1°120.0°
C27N4H8108.0°120.0°
N4C27H25108.6°109.5°
N4C27H26108.6°109.5°
N4S2O4111.2°106.4°
N4S2O3105.3°106.4°
N4S2C16107.4°107.2°
S2N4H8108.1°120.0°
O4S2O3115.4°123.2°
O4S2C16109.6°106.4°
O3S2C16107.6°106.4°
S2C16C13121.9°119.9°
S2C16C15121.2°119.9°
C16C13C12121.5°120.1°
C13C16C15116.9°120.2°
C16C13H22119.3°120.0°
C13C12C11121.7°119.9°
C13C12H21119.2°120.1°
C12C13H22119.3°120.0°
C16C15C14122.4°120.1°
C16C15H24118.8°119.9°
C12C11C14116.7°119.9°
C12C11N3117.7°120.1°
C11C12H21119.2°120.0°
C15C14C11120.7°119.9°
C15C14H23119.6°120.0°
C14C15H24118.8°120.0°
O2C10N3117.4°120.0°
O2C10C9118.1°120.0°
C14C11N3125.6°120.0°
C11C14H23119.7°120.1°
C11N3C10124.3°120.0°
C11N3H6117.8°120.0°
N3C10C9124.4°120.0°
C10N3H6117.9°120.0°
C10C9C8117.5°109.5°
C10C9H19107.4°109.5°
C10C9H20107.4°109.5°
C9C8C7112.9°109.5°
C9C8H17108.6°109.5°
C9C8H18108.6°109.5°
C8C9H19107.5°109.5°
C8C9H20107.4°109.4°
C8C7C6107.2°109.5°
C8C7H15110.1°109.5°
C8C7H16110.1°109.4°
C7C8H17108.6°109.5°
C7C8H18108.6°109.4°
C7C6C5112.9°109.5°
C7C6H13108.6°109.5°
C7C6H14108.6°109.5°
C6C7H15110.1°109.5°
C6C7H16110.0°109.5°
C6C5C4114.7°110.8°
C6C5S1103.6°111.2°
C6C5H9111.2°110.8°
C5C6H13108.6°109.4°
C5C6H14108.6°109.4°
C4C5S1107.2°102.4°
C5C4N2113.4°109.2°
C5C4C2103.4°112.7°
C5C4H7110.1°110.5°
C4C5H9111.1°110.8°
C5S1C386.2°94.9°
S1C5H9108.5°110.5°
C4N2C1105.5°109.1°
N2C4C2108.5°104.0°
C4N2H3127.3°125.5°
N2C4H7111.3°110.3°
N2C1O1123.0°123.1°
N2C1N1114.6°113.9°
C1N2H3127.3°125.5°
C4C2C3109.1°112.4°
C4C2N1103.7°104.0°
C4C2H2110.7°110.5°
C2C4H7109.8°110.0°
S1C3C2105.9°102.7°
S1C3H4110.4°110.8°
S1C3H5110.4°110.8°
O1C1N1122.3°123.1°
C1N1C2107.5°109.0°
C1N1H1126.3°125.5°
C3C2N1109.9°109.2°
C3C2H2111.0°110.2°
C2C3H4110.4°110.8°
C2C3H5110.4°110.8°
C2N1H1126.2°125.5°
N1C2H2112.2°110.3°
H4C3H5109.5°110.8°
H10N5H11109.5°111.0°
H13C6H14109.5°109.5°
H15C7H16109.5°109.5°
H17C8H18109.4°109.5°
H19C9H20109.4°109.4°
H25C27H26109.4°109.5°
H27C28H28109.5°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N5C28C27H27119.6°120.0°
N5C28C27H28119.6°120.0°
N5C28C27N412.6°180.0°
C28N5H10H11120.0°124.0°
N5C28C27H25108.0°60.0°
N5C28C27H26133.1°60.0°
N5C28H27H28121.0°120.0°
C28C27N4H25120.5°120.0°
C28C27N4H26120.5°120.0°
C28C27N4S290.7°165.0°
C28C27N4H830.2°15.0°
C27C28N5H10180.0°180.0°
C27C28N5H1160.0°56.0°
C28C27H25H26118.4°120.0°
C27C28H27H28121.1°120.0°
C27N4S2H8120.8°180.0°
C27N4S2O454.7°178.5°
C27N4S2O3179.7°48.5°
C27N4S2C1665.2°65.0°
N4C27H25H26118.4°120.0°
N4C27C28H27132.2°60.0°
N4C27C28H28107.1°60.0°
N4S2O4O3119.8°122.9°
N4S2O4C16118.5°114.1°
N4S2O3C16114.3°114.1°
N4S2C16C1391.7°90.0°
N4S2C16C1585.0°90.3°
S2N4C27H25148.8°75.0°
S2N4C27H2629.9°45.0°
O4S2O3C16122.8°123.0°
O4S2C16C1329.2°23.5°
O4S2C16C15154.2°156.2°
O4S2N4H866.1°1.5°
O3S2C16C13155.5°156.5°
O3S2C16C1527.9°23.2°
O3S2N4H859.5°131.4°
S2C16C13C15176.8°179.7°
S2C16C13C12173.9°180.0°
S2C16C15C14177.3°179.8°
C16S2N4H8174.0°115.0°
S2C16C13H226.1°0.0°
S2C16C15H242.7°0.3°
C16C13C12H22180.0°180.0°
C16C13C12C114.4°0.0°
C13C16C15C140.5°0.5°
C16C13C12H21175.6°180.0°
C13C16C15H24179.5°180.0°
C12C13C16C152.8°0.3°
C13C12C11H21180.0°180.0°
C13C12C11C142.3°0.0°
C13C12C11N3178.7°179.7°
C16C15C14H24180.0°179.5°
C16C15C14C112.5°0.5°
C15C16C13H22177.2°179.7°
C16C15C14H23177.5°179.4°
C12C11C14C151.0°0.2°
C12C11C14N3178.9°179.8°
C12C11N3C10133.4°144.6°
C12C11N3H646.7°35.4°
C11C12C13H22175.6°180.0°
C12C11C14H23179.0°179.7°
C15C14C11H23180.0°179.9°
C15C14C11N3177.9°180.0°
O2C10N3C114.2°4.6°
O2C10N3C9175.3°180.0°
O2C10C9C840.3°0.0°
O2C10N3H6175.7°175.4°
O2C10C9H1980.9°120.1°
O2C10C9H20161.5°120.0°
C14C11N3C1045.5°35.1°
C14C11N3H6134.5°144.9°
C14C11C12H21177.7°179.9°
C11C14C15H24177.6°180.0°
C11N3C10H6180.0°180.0°
C11N3C10C9179.5°175.3°
N3C11C12H211.3°0.3°
N3C11C14H232.1°0.1°
N3C10C9C8135.0°180.0°
N3C10C9H19103.9°60.0°
N3C10C9H2013.8°60.0°
C10C9C8H19121.2°120.1°
C10C9C8H20121.2°120.0°
C10C9C8C750.9°180.0°
C9C10N3H60.4°4.6°
C10C9C8H1769.7°60.0°
C10C9C8H18171.4°60.0°
C10C9H19H20116.4°120.0°
C9C8C7H17120.5°120.0°
C9C8C7H18120.5°120.0°
C9C8C7C6178.9°180.0°
C9C8C7H1559.2°60.0°
C9C8C7H1661.5°60.0°
C9C8H17H18118.4°120.0°
C8C9H19H20116.4°119.9°
C8C7C6H15119.7°120.0°
C8C7C6H16119.6°120.0°
C8C7C6C5176.4°180.0°
C8C7C6H1363.1°60.0°
C8C7C6H1455.9°60.0°
C8C7H15H16121.1°120.0°
C7C8H17H18118.4°120.0°
C7C8C9H19172.0°59.9°
C7C8C9H2070.3°60.0°
C7C6C5H13120.5°120.0°
C7C6C5H14120.5°120.0°
C7C6C5C4156.9°175.0°
C7C6C5S186.6°71.8°
C7C6C5H929.7°51.6°
C7C6H13H14118.4°120.0°
C6C7H15H16121.0°120.0°
C6C7C8H1760.6°60.0°
C6C7C8H1858.3°60.0°
C6C5C4S1114.4°118.7°
C6C5C4H9127.2°123.4°
C6C5S1H9118.3°123.5°
C6C5C4N237.7°28.1°
C6C5C4C2155.0°143.1°
C6C5S1C3171.8°152.8°
C6C5C4H787.7°93.4°
C5C6H13H14118.5°119.9°
C5C6C7H1556.7°60.0°
C5C6C7H1664.0°60.0°
C4C5S1H9120.1°118.1°
C5C4N2C2114.3°120.5°
C5C4N2H7124.8°121.6°
C5C4N2C1115.7°120.2°
C5C4C2H7117.4°123.8°
C4C5S1C350.1°34.4°
C5C4C2C37.6°0.1°
C5C4C2N1124.7°118.0°
C5C4C2H2114.7°123.7°
C5C4N2H364.3°59.5°
C4C5C6H1336.4°65.0°
C4C5C6H1482.6°55.0°
S1C5C4N276.7°90.7°
S1C5C4C240.6°24.4°
C5S1C3C243.7°34.6°
C5S1C3H4163.1°152.9°
C5S1C3H575.7°83.7°
S1C5C4H7157.9°147.8°
S1C5C6H13152.9°48.3°
S1C5C6H1433.9°168.2°
C4N2C1H3180.0°179.7°
N2C4C2H7121.9°118.1°
C4N2C1O1177.9°179.9°
C4N2C1N11.9°0.4°
N2C4C2C3113.1°118.2°
N2C4C2N14.0°0.2°
N2C4C2H2124.6°118.2°
N2C4C5H9165.0°151.5°
C1N2C4C21.4°0.3°
N2C1O1N1175.7°179.7°
N2C1N1C24.6°0.3°
N2C1N1H1175.4°179.7°
C1N2C4H7119.5°118.2°
C4C2C3S126.7°24.6°
C4C2N1C14.9°0.0°
C4C2C3N1113.0°114.9°
C4C2C3H2122.2°123.8°
C4C2N1H2119.5°118.5°
C4C2N1H1175.0°179.9°
C2C4N2H3178.5°180.0°
C4C2C3H4146.1°143.0°
C4C2C3H592.7°93.7°
C2C4C5H977.7°93.5°
S1C3C2H4119.4°118.3°
S1C3C2H5119.4°118.3°
S1C3C2N186.3°90.3°
S1C3C2H2148.9°148.4°
S1C3H4H5121.7°123.4°
C3S1C5H969.9°83.6°
O1C1N1C2179.4°180.0°
O1C1N1H10.6°0.0°
O1C1N2H32.2°0.2°
C1N1C2C3111.5°120.2°
C1N1C2H1180.0°180.0°
C1N1C2H2124.4°118.6°
N1C1N2H3178.2°179.9°
C3C2N1H2124.0°121.2°
C3C2N1H168.5°59.8°
C2C3H4H5121.7°123.3°
C3C2C4H7125.1°123.7°
N1C2C3H433.1°28.0°
N1C2C3H5154.2°151.4°
N1C2C4H7117.9°118.3°
H1N1C2H255.5°61.4°
H2C2C3H491.6°93.2°
H2C2C3H529.5°30.1°
H2C2C4H72.7°0.0°
H3N2C4H760.5°62.1°
H7C4C5H939.5°30.0°
H8N4C27H2590.3°105.0°
H8N4C27H26150.7°135.0°
H9C5C6H1390.7°171.6°
H9C5C6H14150.2°68.4°
H10N5C28H2760.3°60.0°
H10N5C28H2860.4°59.9°
H11N5C28H2759.7°64.0°
H11N5C28H28179.6°176.0°
H13C6C7H15177.2°180.0°
H13C6C7H1656.5°60.0°
H14C6C7H1563.8°60.0°
H14C6C7H16175.5°180.0°
H15C7C8H17179.7°180.0°
H15C7C8H1861.3°60.0°
H16C7C8H1759.0°60.0°
H16C7C8H18178.0°180.0°
H17C8C9H1951.5°180.0°
H17C8C9H20169.2°60.0°
H18C8C9H1967.5°60.0°
H18C8C9H2050.2°180.0°
H21C12C13H224.4°0.0°
H23C14C15H242.4°0.1°
H25C27C28H2711.7°60.1°
H25C27C28H28132.4°180.0°
H26C27C28H27107.3°180.0°
H26C27C28H2813.5°60.0°

221716

PDB entries from 2024-06-26

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