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JCG

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
O30N29sing1.42Å1.40Å
N29C27sing1.35Å1.44Å
C27O28doub1.21Å1.18Å
C27C02sing1.51Å1.52Å
C04N05sing1.46Å1.45Å
C04C03sing1.53Å1.53Å
C01C02sing1.53Å1.52Å
C02C03sing1.53Å1.52Å
C02S31sing1.81Å1.81Å
N05C06sing1.36Å1.48Å
N05C10sing1.35Å1.48Å
C06C07doub1.35Å1.52Å
O33S31doub1.42Å1.47Å
O11C10doub1.22Å1.18Å
S31C32sing1.81Å1.81Å
S31O34doub1.42Å1.46Å
C10C09sing1.40Å1.52Å
C07C08sing1.41Å1.49Å
C09C08doub1.39Å1.49Å
C08C12sing1.48Å1.53Å
C26C12doub1.40Å1.38ÅAromatic
C26C25sing1.38Å1.39ÅAromatic
C12C13sing1.40Å1.39ÅAromatic
C25C16doub1.39Å1.39ÅAromatic
C13F14sing1.35Å1.36Å
C13C15doub1.38Å1.38ÅAromatic
C16C15sing1.39Å1.38ÅAromatic
C16O17sing1.36Å1.40Å
C18O17sing1.43Å1.40Å
C18C19sing1.51Å1.53Å
C19C24doub1.38Å1.39ÅAromatic
C19C20sing1.38Å1.39ÅAromatic
C24C23sing1.38Å1.39ÅAromatic
C20C21doub1.38Å1.39ÅAromatic
C23C22doub1.38Å1.39ÅAromatic
C21C22sing1.38Å1.39ÅAromatic
C15H1sing1.08Å1.08Å
C01H2sing1.09Å1.10Å
C01H3sing1.09Å1.10Å
C01H4sing1.09Å1.10Å
C03H5sing1.09Å1.10Å
C03H6sing1.09Å1.10Å
C04H7sing1.09Å1.10Å
C04H8sing1.09Å1.10Å
C06H9sing1.08Å1.08Å
C07H10sing1.08Å1.08Å
C09H11sing1.08Å1.08Å
C18H12sing1.09Å1.10Å
C18H13sing1.09Å1.10Å
C20H14sing1.08Å1.08Å
C21H15sing1.08Å1.08Å
C22H16sing1.08Å1.08Å
C23H17sing1.08Å1.08Å
C24H18sing1.08Å1.08Å
C25H19sing1.08Å1.08Å
C26H20sing1.08Å1.08Å
C32H21sing1.09Å1.10Å
C32H22sing1.09Å1.10Å
C32H23sing1.09Å1.10Å
N29H24sing0.97Å1.00Å
O30H25sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
O30N29C27116.2°120.0°
O30N29H24121.9°120.1°
N29O30H25109.5°113.9°
N29C27O28117.7°120.0°
N29C27C02120.2°120.0°
C27N29H24121.9°120.0°
O28C27C02122.1°120.0°
C27C02C01111.0°109.5°
C27C02C03109.0°109.5°
C27C02S31110.8°109.5°
N05C04C03103.5°109.5°
C04N05C06119.4°119.4°
C04N05C10119.4°119.4°
N05C04H7111.0°109.5°
N05C04H8110.9°109.5°
C04C03C02113.8°109.5°
C04C03H5108.4°109.4°
C04C03H6108.4°109.5°
C03C04H7110.9°109.4°
C03C04H8111.0°109.5°
C01C02C03110.0°109.5°
C01C02S31108.5°109.5°
C02C01H2109.5°109.4°
C02C01H3109.5°109.4°
C02C01H4109.5°109.5°
C03C02S31107.4°109.5°
C02C03H5108.4°109.5°
C02C03H6108.4°109.5°
C02S31O33111.5°108.6°
C02S31C32109.3°101.9°
C02S31O34110.3°108.6°
C06N05C10121.3°121.2°
N05C06C07119.7°120.9°
N05C06H9120.2°119.5°
N05C10O11120.2°119.9°
N05C10C09119.3°120.2°
C06C07C08119.3°119.8°
C07C06H9120.1°119.5°
C06C07H10120.3°120.1°
O33S31C32111.7°108.5°
O33S31O34102.6°119.3°
O11C10C09120.4°119.9°
C32S31O34111.3°108.6°
S31C32H21109.5°109.5°
S31C32H22109.5°109.5°
S31C32H23109.5°109.5°
C10C09C08119.7°119.0°
C10C09H11120.2°120.5°
C07C08C09120.7°118.8°
C07C08C12118.0°120.6°
C08C07H10120.4°120.1°
C09C08C12121.3°120.6°
C08C09H11120.1°120.5°
C08C12C26119.8°120.1°
C08C12C13119.8°120.1°
C12C26C25119.5°120.0°
C26C12C13120.4°119.8°
C12C26H20120.2°120.0°
C26C25C16119.6°120.1°
C26C25H19120.2°120.0°
C25C26H20120.2°120.0°
C12C13F14121.3°120.0°
C12C13C15120.1°119.9°
C25C16C15120.7°120.2°
C25C16O17121.6°119.9°
C16C25H19120.2°119.9°
F14C13C15118.6°120.1°
C13C15C16119.7°120.1°
C13C15H1120.1°120.0°
C15C16O17117.8°119.9°
C16C15H1120.2°119.9°
C16O17C18117.2°117.0°
O17C18C19104.1°109.5°
O17C18H12110.8°109.5°
O17C18H13110.8°109.5°
C18C19C24120.8°120.0°
C18C19C20118.8°120.0°
C19C18H12110.8°109.5°
C19C18H13110.8°109.5°
C24C19C20120.3°120.0°
C19C24C23119.6°120.0°
C19C24H18120.2°120.0°
C19C20C21120.0°120.1°
C19C20H14120.0°120.0°
C24C23C22120.3°120.0°
C24C23H17119.9°120.0°
C23C24H18120.2°120.0°
C20C21C22119.8°119.9°
C21C20H14120.0°119.9°
C20C21H15120.1°120.0°
C23C22C21120.0°120.0°
C23C22H16120.0°120.0°
C22C23H17119.9°120.0°
C22C21H15120.1°120.0°
C21C22H16120.0°119.9°
H2C01H3109.5°109.4°
H2C01H4109.5°109.5°
H3C01H4109.5°109.5°
H5C03H6109.4°109.5°
H7C04H8109.4°109.5°
H12C18H13109.5°109.5°
H21C32H22109.5°109.4°
H21C32H23109.5°109.5°
H22C32H23109.4°109.4°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
O30N29C27H24180.0°180.0°
O30N29C27O280.5°0.0°
O30N29C27C02179.9°180.0°
N29C27O28C02179.4°180.0°
N29C27C02C010.9°75.0°
N29C27C02C03120.5°165.0°
N29C27C02S31121.5°45.0°
C27N29O30H250.2°180.0°
O28C27C02C01179.7°104.9°
O28C27C02C0358.9°15.0°
O28C27C02S3159.1°135.0°
O28C27N29H24179.5°180.0°
C27C02C03C0457.4°177.9°
C27C02C01C03120.8°120.0°
C27C02C01S31122.0°120.0°
C27C02C03S31120.2°120.0°
C27C02S31O3360.3°49.9°
C27C02S31C3263.7°64.5°
C27C02S31O34173.6°179.0°
C27C02C01H2180.0°179.9°
C27C02C01H360.0°60.0°
C27C02C01H460.0°60.0°
C27C02C03H5178.0°57.9°
C27C02C03H663.3°62.1°
C02C27N29H240.1°0.0°
N05C04C03H7119.0°120.0°
N05C04C03H8119.0°120.0°
N05C04C03C02174.6°174.4°
C04N05C06C10178.2°179.9°
C04N05C06C07179.1°180.0°
C04N05C10O111.4°0.4°
C04N05C10C09179.4°180.0°
N05C04C03H553.9°54.4°
N05C04C03H664.8°65.5°
N05C04H7H8122.8°120.1°
C04N05C06H90.8°0.1°
C04C03C02C0164.6°57.9°
C04C03C02H5120.7°120.0°
C04C03C02H6120.7°120.1°
C04C03C02S31177.5°62.1°
C03C04N05C0689.1°90.0°
C03C04N05C1089.2°90.1°
C04C03H5H6118.0°120.0°
C03C04H7H8122.8°119.9°
C01C02C03S31117.9°120.0°
C01C02S31O3361.8°70.1°
C01C02S31C32174.2°175.5°
C01C02S31O3451.5°61.0°
C02C01H2H3120.0°119.9°
C02C01H2H4120.0°120.1°
C02C01H3H4120.0°120.0°
C01C02C03H556.1°62.1°
C01C02C03H6174.7°178.0°
C03C02S31O33179.3°169.9°
C03C02S31C3255.3°55.5°
C03C02S31O3467.4°59.0°
C03C02C01H259.2°60.1°
C03C02C01H3179.3°180.0°
C03C02C01H460.8°60.0°
C02C03H5H6118.0°120.0°
C02C03C04H766.4°65.6°
C02C03C04H855.5°54.4°
C02S31O33C32122.6°110.0°
C02S31O33O34118.0°125.0°
C02S31C32O34122.1°114.5°
S31C02C01H258.0°59.9°
S31C02C01H362.0°60.0°
S31C02C01H4178.0°180.0°
S31C02C03H561.8°177.9°
S31C02C03H656.8°58.0°
C02S31C32H21180.0°60.0°
C02S31C32H2260.0°180.0°
C02S31C32H2360.0°60.0°
N05C06C07H9180.0°179.9°
C06N05C10O11179.6°179.8°
C06N05C10C091.2°0.1°
N05C06C07C080.1°0.1°
C06N05C04H729.9°29.9°
C06N05C04H8151.8°150.0°
N05C06C07H10179.9°180.0°
C10N05C06C070.9°0.1°
N05C10O11C09179.2°179.7°
N05C10C09C080.6°0.0°
C10N05C04H7151.8°150.0°
C10N05C04H829.9°29.9°
C10N05C06H9179.1°180.0°
N05C10C09H11179.4°179.9°
C06C07C08H10180.0°180.0°
C06C07C08C090.4°0.0°
C06C07C08C12179.4°180.0°
O33S31C32O34114.0°131.1°
O33S31C32H2156.1°54.4°
O33S31C32H22176.2°65.6°
O33S31C32H2363.9°174.5°
O11C10C09C08179.9°179.7°
O11C10C09H110.2°0.3°
S31C32H21H22120.0°120.0°
S31C32H21H23120.0°120.1°
S31C32H22H23120.0°120.0°
O34S31C32H2157.9°174.5°
O34S31C32H2262.1°65.5°
O34S31C32H23177.9°54.5°
C10C09C08C070.2°0.0°
C10C09C08H11180.0°180.0°
C10C09C08C12179.1°180.0°
C07C08C09C12178.9°180.0°
C07C08C12C2636.1°74.7°
C07C08C12C13142.4°105.0°
C08C07C06H9179.9°180.0°
C07C08C09H11179.8°180.0°
C09C08C12C26145.0°105.3°
C09C08C12C1336.5°75.0°
C09C08C07H10179.6°180.0°
C08C12C26C13178.5°179.7°
C08C12C26C25179.1°179.7°
C08C12C13F141.0°0.0°
C08C12C13C15178.8°180.0°
C12C08C07H100.6°0.0°
C12C08C09H110.9°0.0°
C08C12C26H200.9°0.3°
C12C26C25H20180.0°179.4°
C12C26C25C160.3°0.6°
C26C12C13F14179.5°179.7°
C26C12C13C150.4°0.3°
C12C26C25H19179.7°179.8°
C25C26C12C130.7°0.6°
C26C25C16H19180.0°179.7°
C26C25C16C150.5°0.3°
C26C25C16O17179.8°179.7°
C12C13F14C15179.8°180.0°
C12C13C15C160.4°0.0°
C12C13C15H1179.7°180.0°
C13C12C26H20179.3°180.0°
C25C16C15C130.8°0.0°
C25C16C15O17179.3°180.0°
C25C16O17C1820.3°0.0°
C25C16C15H1179.2°180.0°
C16C25C26H20179.8°180.0°
F14C13C15C16179.8°180.0°
F14C13C15H10.2°0.0°
C13C15C16H1180.0°179.9°
C13C15C16O17179.9°180.0°
C15C16O17C18160.4°180.0°
C15C16C25H19179.5°180.0°
C16O17C18C19176.9°180.0°
O17C16C15H10.1°0.1°
C16O17C18H1263.9°60.0°
C16O17C18H1357.8°60.0°
O17C16C25H190.2°0.1°
O17C18C19H12119.2°120.0°
O17C18C19H13119.1°120.0°
O17C18C19C24129.4°90.0°
O17C18C19C2050.0°89.7°
O17C18H12H13122.5°120.0°
C18C19C24C20179.3°179.7°
C18C19C24C23179.7°179.8°
C18C19C20C21179.9°180.0°
C19C18H12H13122.5°120.0°
C18C19C20H140.1°0.0°
C18C19C24H180.3°0.0°
C19C24C23H18180.0°179.8°
C24C19C20C210.7°0.3°
C19C24C23C220.1°0.4°
C24C19C18H12111.5°150.0°
C24C19C18H1310.2°30.0°
C24C19C20H14179.3°179.8°
C19C24C23H17179.8°179.8°
C20C19C24C230.4°0.5°
C19C20C21H14180.0°179.9°
C19C20C21C220.8°0.1°
C20C19C18H1269.2°30.3°
C20C19C18H13169.1°150.3°
C19C20C21H15179.2°180.0°
C20C19C24H18179.6°179.7°
C24C23C22H17180.0°179.8°
C24C23C22C210.3°0.2°
C24C23C22H16179.7°179.8°
C20C21C22C230.6°0.0°
C20C21C22H15180.0°180.0°
C20C21C22H16179.4°180.0°
C23C22C21H16180.0°180.0°
C23C22C21H15179.4°180.0°
C22C23C24H18179.9°179.7°
C22C21C20H14179.2°180.0°
C21C22C23H17179.7°180.0°
H2C01H3H4120.0°120.0°
H5C03C04H7173.0°174.4°
H5C03C04H865.1°65.6°
H6C03C04H754.3°54.4°
H6C03C04H8176.2°174.4°
H9C06C07H100.1°0.0°
H14C20C21H150.9°0.0°
H15C21C22H160.6°0.0°
H16C22C23H170.3°0.0°
H17C23C24H180.2°0.0°
H19C25C26H200.2°0.4°
H21C32H22H23120.0°120.0°
H24N29O30H25179.8°0.0°

223790

PDB entries from 2024-08-14

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