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SummaryGeometryRelated PDB entries

B4A

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N25C26doub1.30Å1.33ÅAromatic
N25N24sing1.38Å1.33ÅAromatic
N27C26sing1.39Å1.42Å
N27C28sing1.35Å1.44Å
C35C34doub1.38Å1.38ÅAromatic
C35C30sing1.38Å1.40ÅAromatic
C29C30sing1.51Å1.52Å
C29C28sing1.51Å1.50Å
C34C33sing1.38Å1.43ÅAromatic
C30C31doub1.38Å1.41ÅAromatic
C26S37sing1.76Å1.73ÅAromatic
N24C23doub1.30Å1.34ÅAromatic
C28O36doub1.21Å1.20Å
C33C32doub1.38Å1.40ÅAromatic
C31C32sing1.38Å1.39ÅAromatic
C01C02sing1.53Å1.52Å
C01C06sing1.53Å1.46Å
C23S37sing1.76Å1.71ÅAromatic
C23N03sing1.39Å1.40Å
N07C06sing1.46Å1.42Å
N07C08sing1.39Å1.47Å
C02N03sing1.47Å1.47Å
C06C05sing1.53Å1.49Å
C05C04sing1.53Å1.50Å
N03C04sing1.47Å1.45Å
S22C08sing1.76Å1.71ÅAromatic
S22C11sing1.76Å1.74ÅAromatic
C08N09doub1.30Å1.34ÅAromatic
O21C13doub1.21Å1.21Å
N09N10sing1.38Å1.34ÅAromatic
C11N10doub1.30Å1.34ÅAromatic
C11N12sing1.39Å1.42Å
C17C16doub1.38Å1.40ÅAromatic
C17C18sing1.38Å1.40ÅAromatic
C16C15sing1.38Å1.39ÅAromatic
C13N12sing1.35Å1.44Å
C13C14sing1.51Å1.57Å
C18C19doub1.38Å1.38ÅAromatic
C15C14sing1.51Å1.54Å
C15C20doub1.38Å1.41ÅAromatic
C19C20sing1.38Å1.41ÅAromatic
N12H1sing0.97Å1.00Å
C17H2sing1.08Å1.08Å
C20H3sing1.08Å1.08Å
C01H4sing1.09Å1.10Å
C01H5sing1.09Å1.10Å
C02H6sing1.09Å1.10Å
C02H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C04H9sing1.09Å1.10Å
C05H10sing1.09Å1.10Å
C05H11sing1.09Å1.10Å
C06H12sing1.09Å1.10Å
N07H13sing0.97Å1.00Å
C14H14sing1.09Å1.10Å
C14H15sing1.09Å1.10Å
C16H16sing1.08Å1.08Å
C18H17sing1.08Å1.08Å
C19H18sing1.08Å1.08Å
N27H19sing0.97Å1.00Å
C29H20sing1.09Å1.10Å
C29H21sing1.09Å1.10Å
C31H22sing1.08Å1.08Å
C32H23sing1.08Å1.08Å
C33H24sing1.08Å1.08Å
C34H25sing1.08Å1.08Å
C35H26sing1.08Å1.08Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C26N25N24115.3°115.7°
N25C26N27123.2°125.4°
N25C26S37107.1°109.2°
N25N24C23117.1°115.6°
C26N27C28121.2°120.1°
N27C26S37129.5°125.4°
C26N27H19119.4°120.0°
N27C28C29119.7°120.1°
N27C28O36120.5°120.0°
C28N27H19119.4°119.9°
C34C35C30119.4°119.9°
C35C34C33119.0°120.0°
C35C34H25120.5°120.0°
C34C35H26120.3°120.0°
C35C30C29119.2°119.9°
C35C30C31122.0°120.0°
C30C35H26120.3°120.1°
C30C29C28110.8°109.5°
C29C30C31118.8°120.0°
C30C29H20109.1°109.5°
C30C29H21109.1°109.5°
C29C28O36119.8°120.0°
C28C29H20109.2°109.4°
C28C29H21109.1°109.4°
C34C33C32121.2°120.0°
C34C33H24119.4°120.0°
C33C34H25120.5°120.0°
C30C31C32118.9°120.0°
C30C31H22120.6°120.0°
C26S37C2393.8°90.4°
N24C23S37106.7°109.2°
N24C23N03127.5°125.4°
C33C32C31119.6°120.0°
C33C32H23120.2°119.9°
C32C33H24119.4°120.0°
C32C31H22120.6°120.0°
C31C32H23120.2°120.1°
C02C01C06106.7°109.2°
C01C02N03111.9°109.5°
C02C01H4110.2°109.5°
C02C01H5110.2°109.5°
C01C02H6108.9°109.5°
C01C02H7108.9°109.4°
C01C06N07117.0°109.5°
C01C06C05110.7°109.2°
C06C01H4110.1°109.5°
C06C01H5110.2°109.5°
C01C06H12108.1°109.5°
S37C23N03125.8°125.4°
C23N03C02116.8°111.0°
C23N03C04112.0°111.0°
C06N07C08105.3°120.0°
N07C06C05104.1°109.5°
N07C06H12108.7°109.5°
C06N07H13110.5°120.1°
N07C08S22128.8°125.4°
N07C08N09124.7°125.4°
C08N07H13110.5°120.0°
C02N03C04114.6°111.2°
N03C02H6108.9°109.5°
N03C02H7108.9°109.5°
C06C05C04102.5°109.3°
C06C05H10111.2°109.5°
C06C05H11111.1°109.5°
C05C06H12107.8°109.5°
C05C04N03105.0°109.5°
C05C04H8110.6°109.5°
C05C04H9110.6°109.5°
C04C05H10111.2°109.5°
C04C05H11111.2°109.5°
N03C04H8110.6°109.5°
N03C04H9110.5°109.4°
C08S22C1195.1°90.4°
S22C08N09106.4°109.2°
S22C11N10105.4°109.2°
S22C11N12129.9°125.4°
C08N09N10116.4°115.6°
O21C13N12119.8°120.0°
O21C13C14119.9°120.0°
N09N10C11116.7°115.7°
N10C11N12124.7°125.4°
C11N12C13123.6°120.0°
C11N12H1118.2°120.0°
C16C17C18120.7°120.0°
C17C16C15118.9°120.0°
C16C17H2119.7°120.0°
C17C16H16120.5°120.0°
C17C18C19120.6°120.0°
C18C17H2119.7°120.0°
C17C18H17119.7°120.0°
C16C15C14118.5°120.0°
C16C15C20120.6°120.0°
C15C16H16120.5°120.0°
N12C13C14120.3°120.0°
C13N12H1118.2°120.0°
C13C14C15113.7°109.5°
C13C14H14108.4°109.5°
C13C14H15108.4°109.5°
C18C19C20119.1°120.0°
C19C18H17119.7°120.0°
C18C19H18120.4°120.0°
C14C15C20120.9°120.0°
C15C14H14108.4°109.5°
C15C14H15108.4°109.4°
C15C20C19120.1°120.0°
C15C20H3120.0°120.0°
C19C20H3120.0°120.0°
C20C19H18120.5°120.0°
H4C01H5109.4°109.6°
H6C02H7109.5°109.4°
H8C04H9109.4°109.5°
H10C05H11109.5°109.5°
H14C14H15109.5°109.5°
H20C29H21109.5°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
N25C26N27S37174.9°179.8°
N25C26N27C28174.7°0.2°
C26N25N24C231.7°0.0°
N25C26S37C230.8°0.0°
N25C26N27H195.3°179.7°
N24N25C26N27177.3°179.8°
N24N25C26S371.5°0.0°
N25N24C23S371.0°0.0°
N25N24C23N03179.1°179.9°
C26N27C28H19180.0°180.0°
C26N27C28C29176.8°180.0°
C26N27C28O364.2°0.0°
N27C26S37C23176.3°179.8°
N27C28C29C30124.7°180.0°
N27C28C29O36179.0°180.0°
C28N27C26S370.2°180.0°
N27C28C29H20115.1°60.0°
N27C28C29H214.5°60.0°
C34C35C30H26180.0°179.5°
C34C35C30C29179.9°179.8°
C35C34C33H25180.0°179.9°
C34C35C30C310.1°0.5°
C35C34C33C320.0°0.2°
C35C34C33H24180.0°179.8°
C35C30C29C31179.9°179.7°
C35C30C29C2881.3°90.3°
C30C35C34C330.0°0.5°
C35C30C31C320.2°0.3°
C35C30C29H20158.5°149.7°
C35C30C29H2138.9°29.7°
C35C30C31H22179.8°179.7°
C30C35C34H25180.0°179.7°
C30C29C28H20120.2°120.0°
C30C29C28H21120.2°120.0°
C30C29C28O3654.3°0.0°
C29C30C31C32180.0°180.0°
C30C29H20H21119.4°120.1°
C29C30C31H220.0°0.0°
C29C30C35H260.0°0.3°
C28C29C30C3198.8°90.0°
C29C28N27H193.2°0.0°
C28C29H20H21119.4°119.9°
C34C33C32H24180.0°180.0°
C34C33C32C310.1°0.1°
C34C33C32H23179.9°180.0°
C33C34C35H26180.0°180.0°
C30C31C32C330.2°0.0°
C30C31C32H22180.0°180.0°
C31C30C29H2021.4°30.0°
C31C30C29H21141.0°150.0°
C30C31C32H23179.8°180.0°
C31C30C35H26179.9°180.0°
C26S37C23N240.1°0.0°
C26S37C23N03178.2°179.9°
S37C26N27H19179.8°0.1°
N24C23S37N03178.1°180.0°
N24C23N03C0227.5°0.1°
N24C23N03C04107.6°124.3°
O36C28N27H19175.8°180.0°
O36C28C29H2065.9°120.1°
O36C28C29H21174.4°120.0°
C33C32C31H23180.0°180.0°
C33C32C31H22179.8°180.0°
C32C33C34H25180.0°179.9°
C31C32C33H24179.9°180.0°
C02C01C06H4119.6°119.9°
C02C01C06H5119.6°119.9°
C01C02N03C2383.4°174.2°
C02C01C06N07179.3°62.3°
C01C02N03H6120.4°120.1°
C01C02N03H7120.4°120.0°
C02C01C06C0561.7°57.7°
C01C02N03C0450.6°61.8°
C02C01H4H5121.3°120.1°
C01C02H6H7118.9°119.9°
C02C01C06H1256.2°177.6°
C01C06N07C05122.5°119.7°
C01C06N07H12122.8°120.1°
C01C06N07C08166.7°155.0°
C06C01C02N0347.1°59.2°
C01C06C05H12118.0°119.9°
C01C06C05C0474.2°57.6°
C06C01H4H5121.2°120.1°
C06C01C02H6167.5°60.9°
C06C01C02H773.2°179.2°
C01C06C05H10166.9°177.6°
C01C06C05H1144.7°62.3°
C01C06N07H1347.3°25.1°
S37C23N03C02154.8°180.0°
S37C23N03C0470.1°55.8°
C23N03C02C04134.0°124.1°
C23N03C04C0574.6°174.2°
C23N03C02H637.0°65.8°
C23N03C02H7156.2°54.2°
C23N03C04H8166.0°65.8°
C23N03C04H944.7°54.2°
C06N07C08H13119.4°179.9°
N07C06C05H12115.4°120.2°
N07C06C05C04159.2°62.3°
C06N07C08S22137.8°179.7°
C06N07C08N0939.0°0.1°
N07C06C01H459.7°177.8°
N07C06C01H561.2°57.6°
N07C06C05H1040.3°57.7°
N07C06C05H1181.9°177.8°
C08N07C06C0570.8°85.2°
N07C08S22N09177.2°179.7°
N07C08S22C11178.3°180.0°
N07C08N09N10178.4°180.0°
C08N07C06H1243.9°34.9°
C02N03C04C0561.5°61.7°
N03C02C01H4166.7°60.7°
N03C02C01H572.4°179.1°
N03C02H6H7118.9°120.0°
C02N03C04H857.8°58.3°
C02N03C04H9179.2°178.2°
C06C05C04H10118.9°120.0°
C06C05C04H11118.9°119.9°
C06C05C04N0369.3°59.1°
C05C06C01H4178.7°62.3°
C05C06C01H557.9°177.6°
C06C05C04H850.0°60.9°
C06C05C04H9171.4°179.1°
C06C05H10H11123.2°120.1°
C05C06N07H13169.8°94.7°
C05C04N03H8119.3°120.0°
C05C04N03H9119.3°120.0°
C05C04H8H9122.1°120.0°
C04C05H10H11123.3°120.1°
C04C05C06H1243.8°177.6°
C04N03C02H6170.9°58.3°
C04N03C02H769.8°178.2°
N03C04H8H9122.0°120.0°
N03C04C05H10171.8°179.1°
N03C04C05H1149.6°60.8°
S22C08N09N101.1°0.3°
C08S22C11N100.9°0.3°
C08S22C11N12178.0°179.9°
S22C08N07H13102.9°0.3°
C11S22C08N091.1°0.4°
S22C11N10N090.4°0.2°
S22C11N10N12178.9°179.8°
S22C11N12C132.4°180.0°
S22C11N12H1177.6°0.3°
C08N09N10C110.4°0.1°
N09C08N07H1380.3°180.0°
O21C13N12C111.4°0.3°
O21C13N12C14180.0°179.9°
O21C13C14C1560.3°0.0°
O21C13N12H1178.7°180.0°
O21C13C14H14179.0°120.0°
O21C13C14H1560.3°120.0°
N09N10C11N12178.5°180.0°
N10C11N12C13176.2°0.2°
N10C11N12H13.8°179.9°
C11N12C13H1180.0°179.7°
C11N12C13C14178.7°179.7°
C16C17C18H2180.0°180.0°
C17C16C15H16180.0°179.9°
C16C17C18C190.3°0.2°
C17C16C15C14179.8°180.0°
C17C16C15C200.3°0.4°
C16C17C18H17179.7°179.9°
C18C17C16C150.1°0.1°
C17C18C19H17180.0°179.7°
C17C18C19C200.1°0.3°
C18C17C16H16179.9°179.9°
C17C18C19H18179.9°180.0°
C16C15C14C1391.9°89.7°
C16C15C14C20179.5°179.7°
C16C15C20C190.5°0.4°
C15C16C17H2179.9°179.9°
C16C15C20H3179.5°179.7°
C16C15C14H14147.5°150.3°
C16C15C14H1528.8°30.3°
N12C13C14C15119.6°180.0°
N12C13C14H141.0°60.0°
N12C13C14H15119.7°60.1°
C13C14C15H14120.6°120.0°
C13C14C15H15120.6°120.0°
C13C14C15C2088.6°90.0°
C14C13N12H11.3°0.0°
C13C14H14H15118.0°120.0°
C18C19C20C150.3°0.0°
C18C19C20H18180.0°179.8°
C19C18C17H2179.7°179.7°
C18C19C20H3179.7°180.0°
C14C15C20C19180.0°180.0°
C14C15C20H30.0°0.1°
C15C14H14H15118.1°120.0°
C14C15C16H160.2°0.1°
C15C20C19H3180.0°179.9°
C20C15C14H1432.0°30.0°
C20C15C14H15150.8°150.0°
C20C15C16H16179.7°179.8°
C15C20C19H18179.7°179.7°
C20C19C18H17179.9°180.0°
H2C17C16H160.1°0.1°
H2C17C18H170.3°0.0°
H3C20C19H180.3°0.2°
H4C01C02H672.9°179.2°
H4C01C02H746.4°59.3°
H4C01C06H1263.4°57.7°
H5C01C02H647.9°59.1°
H5C01C02H7167.2°60.9°
H5C01C06H12175.8°62.5°
H8C04C05H1068.8°59.1°
H8C04C05H11168.9°179.2°
H9C04C05H1052.6°60.9°
H9C04C05H1169.7°59.2°
H10C05C06H1275.0°62.5°
H11C05C06H12162.7°57.7°
H12C06N07H1375.5°145.2°
H17C18C19H180.1°0.3°
H22C31C32H230.2°0.0°
H23C32C33H240.1°0.0°
H24C33C34H250.0°0.1°
H25C34C35H260.0°0.2°

222415

PDB entries from 2024-07-10

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