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Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
N36C19sing1.38Å1.35Å
C32C29sing1.53Å1.51Å
O33C30doub1.21Å1.27Å
C19N18doub1.30Å1.32ÅAromatic
C19S20sing1.76Å1.72ÅAromatic
N18C35sing1.33Å1.37ÅAromatic
C30C29sing1.51Å1.54Å
C30O34sing1.34Å1.27Å
S20C21sing1.76Å1.71ÅAromatic
C29C31sing1.53Å1.51Å
C29O28sing1.43Å1.44Å
N27O28sing1.42Å1.41Å
N27C26doub1.30Å1.30Å
C35C21doub1.35Å1.38ÅAromatic
C35C26sing1.48Å1.44Å
C26C24sing1.48Å1.50Å
O39S38doub1.42Å1.46Å
OCdoub1.21Å1.23Å
NC24sing1.35Å1.37Å
NCAsing1.47Å1.45Å
C24O25doub1.21Å1.22Å
N22S38sing1.66Å1.71Å
N22C23sing1.46Å1.48Å
S38O40doub1.42Å1.46Å
S38O41sing1.52Å1.45Å
O16C14doub1.22Å1.23Å
CCAsing1.51Å1.51Å
CAC23sing1.53Å1.52Å
C23C37sing1.53Å1.52Å
O17N7sing1.42Å1.39Å
C14N15sing1.35Å1.38Å
C14C3sing1.48Å1.42Å
C37N15sing1.47Å1.44Å
C2C3doub1.37Å1.38ÅAromatic
C2C1sing1.42Å1.42ÅAromatic
C3O4sing1.35Å1.36ÅAromatic
N7C8sing1.36Å1.37Å
N7C6sing1.36Å1.38Å
C8C9doub1.35Å1.34Å
C1C6sing1.48Å1.43Å
C1N5doub1.31Å1.34ÅAromatic
C6C11doub1.36Å1.34Å
O4N5sing1.21Å1.39ÅAromatic
C9O13sing1.36Å1.38Å
C9C10sing1.42Å1.49Å
C11C10sing1.41Å1.48Å
C10O12doub1.22Å1.23Å
CH1sing1.08Å1.08Å
CAH2sing1.09Å1.10Å
NH3sing0.97Å1.00Å
C2H4sing1.08Å1.08Å
C21H5sing1.08Å1.08Å
C11H6sing1.08Å1.08Å
C8H7sing1.08Å1.08Å
C31H8sing1.09Å1.10Å
C31H9sing1.09Å1.10Å
C31H10sing1.09Å1.10Å
C32H11sing1.09Å1.10Å
C32H12sing1.09Å1.10Å
C32H13sing1.09Å1.10Å
C37H14sing1.09Å1.10Å
C37H15sing1.09Å1.10Å
C23H16sing1.09Å1.10Å
N36H17sing0.97Å1.00Å
N36H18sing0.97Å1.00Å
N15H19sing0.97Å1.00Å
N22H20sing0.97Å1.00Å
O34H21sing0.97Å0.95Å
O13H22sing0.97Å0.95Å
O17H23sing0.97Å0.95Å
O41H24sing0.97Å0.95Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
N36C19N18123.9°125.2°
N36C19S20121.1°125.2°
C19N36H17109.5°120.0°
C19N36H18109.5°120.0°
C32C29C30105.7°109.5°
C32C29C31109.5°109.5°
C32C29O28113.8°109.4°
C29C32H11109.5°109.4°
C29C32H12109.5°109.4°
C29C32H13109.5°109.4°
O33C30C29117.6°120.0°
O33C30O34127.6°120.0°
N18C19S20115.0°109.5°
C19N18C35110.7°116.9°
C19S20C2189.3°90.1°
N18C35C21114.9°115.1°
N18C35C26121.0°122.4°
C29C30O34114.8°120.0°
C30C29C31104.7°109.5°
C30C29O28112.3°109.5°
C30O34H21109.5°117.0°
S20C21C35110.2°108.3°
S20C21H5124.9°125.8°
C31C29O28110.4°109.5°
C29C31H8109.5°109.5°
C29C31H9109.5°109.5°
C29C31H10109.5°109.5°
C29O28N27112.3°114.0°
O28N27C26112.5°120.0°
N27C26C35118.5°120.0°
N27C26C24121.6°120.0°
C21C35C26124.1°122.4°
C35C21H5124.9°125.8°
C35C26C24119.9°120.0°
C26C24N113.0°119.9°
C26C24O25118.1°120.0°
O39S38N22105.2°106.4°
O39S38O40113.4°123.1°
O39S38O41113.4°106.4°
OCCA125.3°120.0°
OCH1117.3°120.0°
C24NCA118.7°119.9°
NC24O25128.9°120.0°
C24NH3120.7°120.1°
NCAC106.0°109.5°
NCAC23113.9°109.5°
NCAH2109.4°109.5°
CANH3120.7°120.0°
S38N22C23118.7°120.0°
N22S38O40104.5°106.4°
N22S38O41107.0°107.2°
S38N22H20107.1°120.0°
N22C23CA109.1°109.4°
N22C23C37111.2°109.5°
N22C23H16109.2°109.5°
C23N22H20107.1°120.0°
O40S38O41112.4°106.4°
S38O41H24109.5°114.0°
O16C14N15125.4°120.0°
O16C14C3123.1°120.0°
CCAC23110.4°109.5°
CACH1117.3°120.0°
CCAH2108.6°109.4°
CAC23C37109.8°109.5°
C23CAH2108.4°109.5°
CAC23H16108.7°109.5°
C23C37N15111.5°109.5°
C23C37H14109.0°109.5°
C23C37H15109.0°109.5°
C37C23H16108.8°109.5°
O17N7C8117.5°119.3°
O17N7C6122.2°119.3°
N7O17H23109.5°114.0°
N15C14C3111.4°120.0°
C14N15C37122.0°120.0°
C14N15H19119.1°120.0°
C14C3C2132.7°126.8°
C14C3O4117.4°126.8°
N15C37H14109.0°109.5°
N15C37H15109.0°109.4°
C37N15H19119.0°119.9°
C3C2C1104.9°103.8°
C2C3O4109.8°106.4°
C3C2H4127.6°128.1°
C2C1C6128.0°126.9°
C2C1N5109.7°106.3°
C1C2H4127.5°128.1°
C3O4N5108.1°111.8°
C8N7C6120.3°121.4°
N7C8C9125.0°120.7°
N7C8H7117.5°119.7°
N7C6C1123.2°119.8°
N7C6C11121.1°120.5°
C8C9O13124.1°120.3°
C8C9C10116.3°119.4°
C9C8H7117.5°119.6°
C6C1N5122.3°126.9°
C1C6C11115.7°119.8°
C1N5O4107.4°111.8°
C6C11C10119.6°119.2°
C6C11H6120.2°120.4°
O13C9C10119.6°120.3°
C9O13H22109.5°114.0°
C9C10C11117.7°118.8°
C9C10O12122.5°120.6°
C11C10O12119.8°120.6°
C10C11H6120.2°120.4°
H8C31H9109.5°109.5°
H8C31H10109.5°109.5°
H9C31H10109.5°109.5°
H11C32H12109.5°109.5°
H11C32H13109.4°109.4°
H12C32H13109.4°109.5°
H14C37H15109.5°109.5°
H17N36H18109.5°120.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
N36C19N18S20179.9°179.7°
N36C19N18C35179.8°180.0°
N36C19S20C21179.9°179.9°
C19N36H17H18120.0°180.0°
C32C29C30O3340.6°115.1°
C32C29C30C31115.6°120.0°
C32C29C30O28124.6°120.0°
C32C29C30O34138.7°65.0°
C32C29C31O28126.0°120.0°
C32C29O28N2754.3°55.8°
C32C29C31H8180.0°60.0°
C32C29C31H960.0°60.0°
C32C29C31H1060.0°180.0°
C29C32H11H12120.0°120.0°
C29C32H11H13120.0°119.9°
C29C32H12H13120.0°120.0°
O33C30C29O34179.3°180.0°
O33C30C29C3175.0°124.9°
O33C30C29O28165.2°4.9°
O33C30O34H210.0°0.0°
N18C19S20C210.0°0.3°
C19N18C35C210.5°0.0°
C19N18C35C26179.1°180.0°
N18C19N36H170.0°0.0°
N18C19N36H18120.0°180.0°
S20C19N18C350.3°0.2°
C19S20C21C350.3°0.3°
C19S20C21H5179.7°180.0°
S20C19N36H17179.9°179.7°
S20C19N36H1860.1°0.3°
N18C35C21S200.6°0.3°
N18C35C26N275.6°172.2°
N18C35C21C26178.6°180.0°
N18C35C26C24176.8°7.9°
N18C35C21H5179.4°179.9°
C30C29C31O28121.0°120.0°
C30C29O28N2765.8°175.8°
C30C29C31H867.1°60.0°
C30C29C31H952.9°180.0°
C30C29C31H10172.9°60.0°
C30C29C32H11180.0°59.9°
C30C29C32H1260.0°180.0°
C30C29C32H1360.0°60.0°
C29C30O34H21179.2°180.0°
O34C30C29C31105.7°55.1°
O34C30C29O2814.0°175.1°
S20C21C35H5180.0°179.7°
S20C21C35C26179.1°179.7°
C31C29O28N27177.9°64.2°
C29C31H8H9120.0°120.0°
C29C31H8H10120.0°120.0°
C29C31H9H10120.0°120.0°
C31C29C32H1167.7°180.0°
C31C29C32H1252.3°60.0°
C31C29C32H13172.3°60.1°
C29O28N27C26171.5°175.0°
O28C29C31H853.9°180.0°
O28C29C31H9173.9°60.0°
O28C29C31H1066.1°60.0°
O28C29C32H1156.3°60.0°
O28C29C32H12176.4°60.0°
O28C29C32H1363.7°180.0°
O28N27C26C35178.1°174.2°
O28N27C26C240.5°5.8°
N27C26C35C21172.9°7.8°
N27C26C35C24177.7°180.0°
N27C26C24N81.6°177.7°
N27C26C24O2598.9°2.3°
C21C35C26C244.8°172.2°
C35C26C24N96.0°2.3°
C35C26C24O2583.5°177.7°
C26C35C21H50.9°0.1°
C26C24NO25179.4°180.0°
C26C24NCA164.2°174.4°
C26C24NH315.9°5.5°
O39S38N22O40119.8°132.9°
O39S38N22O41120.9°113.6°
O39S38N22C23178.2°175.5°
O39S38O40O41130.3°123.0°
O39S38N22H2056.8°4.5°
O39S38O41H24130.3°66.5°
OCCAN20.4°0.3°
OCCAH1180.0°179.7°
OCCAC23103.3°120.3°
OCCAH2137.9°119.7°
C24NCAH3180.0°180.0°
C24NCAC119.9°119.3°
C24NCAC23118.6°120.7°
C24NCAH22.9°0.6°
CANC24O2515.2°5.6°
NCAC23N2261.0°51.2°
NCACC23123.8°120.0°
NCACH2117.5°120.0°
NCAC23H2122.0°120.1°
NCAC23C3761.1°171.2°
NCACH1159.6°180.0°
NCAC23H16179.9°68.8°
O25C24NH3164.7°174.4°
S38N22C23H20121.3°179.9°
N22S38O40O41115.6°114.1°
S38N22C23CA119.5°113.0°
S38N22C23C37119.3°127.0°
S38N22C23H160.8°7.0°
N22S38O41H24114.1°180.0°
C23N22S38O4058.4°51.6°
C23N22S38O4160.9°61.9°
N22C23CAC58.1°171.2°
N22C23CAC37122.1°120.0°
N22C23CAH16119.0°120.0°
N22C23C37H16120.3°120.0°
N22C23C37N1568.9°55.0°
N22C23CAH2177.0°68.8°
N22C23C37H14170.8°175.0°
N22C23C37H1551.4°65.0°
O40S38N22H2062.9°128.5°
O40S38O41H240.0°66.5°
O41S38N22H20177.7°118.0°
O16C14N15C3179.8°179.9°
O16C14N15C373.4°0.0°
O16C14C3C20.8°0.1°
O16C14C3O4179.6°180.0°
O16C14N15H19176.6°179.9°
CCAC23H2118.9°120.0°
CCAC23C37179.8°68.8°
CCANH360.2°60.7°
CCAC23H1660.9°51.2°
CAC23C37H16118.9°120.0°
CAC23C37N15170.3°175.0°
C23CACH176.6°60.0°
C23CANH361.4°59.3°
CAC23C37H1450.0°65.0°
CAC23C37H1569.4°55.0°
CAC23N22H201.8°67.1°
C23C37N15C1490.8°180.0°
C23C37N15H14120.3°120.0°
C23C37N15H15120.3°120.0°
C37C23CAH260.9°51.1°
C23C37H14H15119.1°120.0°
C23C37N15H1989.2°0.1°
C37C23N22H20119.4°52.9°
O17N7C8C6177.7°179.7°
O17N7C8C9178.9°180.0°
O17N7C6C10.4°0.3°
O17N7C6C11178.0°179.7°
O17N7C8H71.1°0.5°
C14N15C37H19180.0°179.9°
N15C14C3C2179.1°179.9°
N15C14C3O40.2°0.1°
C14N15C37H14148.9°60.0°
C14N15C37H1529.5°60.0°
C3C14N15C37176.5°179.9°
C14C3C2O4178.9°179.9°
C14C3C2C1179.7°179.9°
C14C3O4N5179.8°179.9°
C14C3C2H40.2°0.2°
C3C14N15H193.6°0.0°
N15C37H14H15119.1°119.9°
N15C37C23H1651.4°65.1°
C3C2C1H4180.0°179.8°
C3C2C1C6178.5°180.0°
C3C2C1N50.3°0.0°
C2C3O4N51.1°0.1°
C1C2C3O40.8°0.0°
C2C1C6N75.4°180.0°
C2C1C6N5178.6°180.0°
C2C1C6C11176.1°0.0°
C2C1N5O40.4°0.0°
C3O4N5C10.9°0.1°
O4C3C2H4179.2°179.7°
N7C8C9H7180.0°179.5°
C8N7C6C1177.9°180.0°
C8N7C6C110.4°0.0°
N7C8C9O13179.7°179.4°
N7C8C9C100.4°0.5°
C8N7O17H23180.0°0.0°
C6N7C8C91.2°0.2°
N7C6C1C11178.5°180.0°
N7C6C1N5173.2°0.0°
N7C6C11C101.0°0.0°
N7C6C11H6178.9°179.7°
C6N7C8H7178.8°179.8°
C6N7O17H232.4°179.7°
C8C9O13C10179.9°179.9°
C8C9C10C111.1°0.5°
C8C9C10O12179.3°179.4°
C8C9O13H22179.7°180.0°
C6C1N5O4179.2°180.0°
C1C6C11C10179.5°180.0°
C6C1C2H41.5°0.3°
C1C6C11H60.4°0.3°
N5C1C6C115.2°180.0°
N5C1C2H4179.7°179.7°
C6C11C10C91.8°0.2°
C6C11C10H6180.0°179.7°
C6C11C10O12178.6°179.7°
O13C9C10C11178.8°179.4°
O13C9C10O120.8°0.7°
O13C9C8H70.3°0.1°
C9C10C11O12179.6°179.9°
C9C10C11H6178.2°179.9°
C10C9C8H7179.6°180.0°
C10C9O13H220.3°0.2°
O12C10C11H61.5°0.0°
H1CCAH242.1°60.0°
H2CANH3177.1°179.4°
H2CAC23H1657.9°171.1°
H8C31H9H10120.0°120.0°
H11C32H12H13120.0°120.0°
H14C37C23H1668.8°55.0°
H14C37N15H1931.1°120.0°
H15C37C23H16171.7°175.0°
H15C37N15H19150.6°120.1°
H16C23N22H20120.6°173.0°

223532

PDB entries from 2024-08-07

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