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12Y

Bonds
First atomSecond atomBond order typeDistance
(experimental model)
Distance
(ideal model)
Properties
S49C48sing1.76Å1.70ÅAromatic
S49C50sing1.76Å1.72ÅAromatic
C48C47doub1.35Å1.38ÅAromatic
O45C46sing1.43Å1.44Å
O45C42sing1.36Å1.42Å
O54C53doub1.21Å1.24Å
C43C42doub1.38Å1.48ÅAromatic
C43C38sing1.40Å1.36ÅAromatic
N37C38doub1.34Å1.40ÅAromatic
N37C36sing1.32Å1.40ÅAromatic
C42C41sing1.40Å1.37ÅAromatic
C47C36sing1.48Å1.43Å
C47N51sing1.33Å1.38ÅAromatic
C50N52sing1.39Å1.38Å
C50N51doub1.30Å1.31ÅAromatic
C38C39sing1.42Å1.51ÅAromatic
C53N52sing1.35Å1.39Å
C53C55sing1.51Å1.55Å
C57C55sing1.53Å1.54Å
C36C35doub1.40Å1.38ÅAromatic
C41C40doub1.36Å1.52ÅAromatic
C55C56sing1.53Å1.54Å
C39C40sing1.40Å1.52ÅAromatic
C39C34doub1.41Å1.38ÅAromatic
C35C34sing1.37Å1.49ÅAromatic
C34O33sing1.36Å1.42Å
O33C14sing1.43Å1.47Å
C13C14sing1.55Å1.53Å
C13C12sing1.54Å1.55Å
C14C15sing1.55Å1.53Å
C12C10sing1.51Å1.55Å
C12N16sing1.48Å1.48Å
C10O11doub1.21Å1.23Å
C15N16sing1.49Å1.47Å
C12H9sing1.09Å1.10Å
C13H10sing1.09Å1.10Å
C13H11sing1.09Å1.10Å
C14H12sing1.09Å1.10Å
C15H13sing1.09Å1.10Å
C15H14sing1.09Å1.10Å
C35H35sing1.08Å1.08Å
C40H36sing1.08Å1.08Å
C41H37sing1.08Å1.08Å
C43H38sing1.08Å1.08Å
C46H39sing1.09Å1.10Å
C46H40sing1.09Å1.10Å
C46H41sing1.09Å1.10Å
C48H42sing1.08Å1.08Å
N52H43sing0.97Å1.00Å
C55H44sing1.09Å1.10Å
C56H45sing1.09Å1.10Å
C56H46sing1.09Å1.10Å
C56H47sing1.09Å1.10Å
C57H48sing1.09Å1.10Å
C57H49sing1.09Å1.10Å
C57H50sing1.09Å1.10Å
C10OXTsing1.34Å65.09Å
OXTHXTsing0.97Å0.00Å
N16H2sing1.01Å1.00Å
Angles
First atomSecond atomThird atomAngle
(experimental model)
Angle
(ideal model)
C48S49C5090.2°90.1°
S49C48C47109.4°108.3°
S49C48H42125.3°125.9°
S49C50N52124.1°125.3°
S49C50N51115.1°109.5°
C48C47C36125.2°122.4°
C48C47N51115.4°115.2°
C47C48H42125.3°125.8°
C46O45C42119.9°117.0°
O45C46H39109.5°109.5°
O45C46H40109.5°109.5°
O45C46H41109.5°109.5°
O45C42C43113.4°119.6°
O45C42C41127.5°119.7°
O54C53N52122.6°120.0°
O54C53C55124.2°120.0°
C42C43C38122.8°119.6°
C43C42C41119.1°120.7°
C42C43H38118.6°120.2°
C43C38N37124.0°120.8°
C43C38C39120.7°119.2°
C38C43H38118.6°120.2°
C38N37C36126.3°121.4°
N37C38C39115.2°119.9°
N37C36C47119.6°119.3°
N37C36C35118.4°121.5°
C42C41C40123.6°120.8°
C42C41H37118.2°119.6°
C36C47N51119.4°122.4°
C47C36C35122.0°119.2°
C47N51C50109.9°116.9°
N52C50N51120.7°125.2°
C50N52C53125.8°120.0°
C50N52H43117.1°120.0°
C38C39C40118.3°119.8°
C38C39C34119.6°119.1°
N52C53C55113.2°120.0°
C53N52H43117.1°119.9°
C53C55C57111.0°109.5°
C53C55C56111.9°109.5°
C53C55H44107.5°109.5°
C57C55C56110.7°109.5°
C57C55H44107.7°109.5°
C55C57H48109.5°109.5°
C55C57H49109.5°109.5°
C55C57H50109.5°109.5°
C36C35C34119.9°119.8°
C36C35H35120.0°120.1°
C41C40C39115.4°119.9°
C41C40H36122.3°120.1°
C40C41H37118.2°119.6°
C56C55H44107.7°109.5°
C55C56H45109.5°109.5°
C55C56H46109.5°109.5°
C55C56H47109.4°109.5°
C40C39C34122.1°121.1°
C39C40H36122.3°120.1°
C39C34C35120.5°118.3°
C39C34O33120.4°120.9°
C35C34O33119.0°120.9°
C34C35H35120.1°120.2°
C34O33C14120.7°117.0°
O33C14C13108.5°110.7°
O33C14C15107.4°110.7°
O33C14H12113.8°110.7°
C14C13C12104.1°105.1°
C13C14C15100.4°102.9°
C14C13H10110.8°110.3°
C14C13H11110.8°110.3°
C13C14H12112.9°110.8°
C13C12C10109.4°109.9°
C13C12N16103.8°107.1°
C13C12H9109.9°110.0°
C12C13H10110.8°110.3°
C12C13H11110.8°110.3°
C14C15N16104.4°103.2°
C15C14H12112.9°110.7°
C14C15H13110.7°110.7°
C14C15H14110.7°110.7°
C10C12N16112.9°109.9°
C12C10O11122.0°120.0°
C10C12H9109.8°109.9°
C12C10OXT16.4°120.0°
C12N16C15109.9°105.8°
N16C12H9110.9°110.0°
C12N16H2109.4°111.0°
O11C10OXT117.6°120.0°
N16C15H13110.7°110.6°
N16C15H14110.7°110.6°
C15N16H2109.4°111.0°
H10C13H11109.5°110.3°
H13C15H14109.5°110.7°
H39C46H40109.5°109.4°
H39C46H41109.5°109.4°
H40C46H41109.4°109.5°
H45C56H46109.4°109.5°
H45C56H47109.5°109.4°
H46C56H47109.5°109.5°
H48C57H49109.5°109.4°
H48C57H50109.5°109.5°
H49C57H50109.5°109.4°
C10OXTHXT90.0°117.0°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)
Torsion
(ideal model)
S49C48C47H42180.0°180.0°
S49C48C47C36179.1°180.0°
S49C48C47N510.4°0.2°
C48S49C50N52179.3°180.0°
C48S49C50N510.8°0.3°
C50S49C48C470.6°0.0°
S49C50N51C470.7°0.5°
S49C50N52N51178.4°179.7°
S49C50N52C5316.5°0.0°
C50S49C48H42179.4°180.0°
S49C50N52H43163.5°180.0°
C48C47C36N374.8°0.3°
C48C47C36N51179.5°179.7°
C48C47N51C500.1°0.5°
C48C47C36C35176.1°179.7°
C46O45C42C43179.6°179.7°
C46O45C42C410.0°0.0°
O45C46H39H40120.0°120.0°
O45C46H39H41120.0°120.0°
O45C46H40H41120.0°120.1°
O45C42C43C41179.7°179.7°
O45C42C43C38179.9°179.8°
O45C42C41C40179.9°180.0°
O45C42C41H370.1°0.0°
O45C42C43H380.1°0.3°
C42O45C46H39180.0°60.0°
C42O45C46H4060.0°180.0°
C42O45C46H4160.0°60.0°
O54C53N52C500.4°0.1°
O54C53N52C55179.8°180.0°
O54C53C55C5766.4°120.0°
O54C53C55C5657.9°0.0°
O54C53N52H43179.7°180.0°
O54C53C55H44176.0°120.0°
C42C43C38H38180.0°179.4°
C42C43C38N37179.4°179.8°
C42C43C38C390.9°0.5°
C43C42C41C400.4°0.3°
C43C42C41H37179.7°179.7°
C43C38N37C39178.6°179.7°
C43C38N37C36179.5°179.9°
C38C43C42C410.5°0.5°
C43C38C39C401.1°0.3°
C43C38C39C34179.7°179.7°
C38N37C36C47180.0°180.0°
C38N37C36C350.8°0.1°
N37C38C39C40179.8°180.0°
N37C38C39C341.1°0.6°
N37C38C43H380.6°0.3°
N37C36C47C35179.2°179.9°
N37C36C47N51174.7°180.0°
C36N37C38C390.9°0.3°
N37C36C35C340.7°0.1°
N37C36C35H35179.3°180.0°
C42C41C40H37180.0°180.0°
C42C41C40C390.6°0.0°
C42C41C40H36179.3°180.0°
C41C42C43H38179.5°180.0°
C36C47N51C50179.7°179.8°
C47C36C35C34179.9°180.0°
C47C36C35H350.1°0.0°
C36C47C48H420.9°0.1°
C47N51C50N52179.2°179.8°
N51C47C36C354.5°0.1°
N51C47C48H42179.6°179.8°
C50N52C53H43180.0°180.0°
C50N52C53C55179.5°180.0°
N51C50N52C53161.9°179.7°
N51C50N52H4318.1°0.3°
C38C39C40C411.0°0.0°
C38C39C40C34179.1°179.4°
C38C39C34C351.1°0.5°
C38C39C34O33179.9°179.7°
C38C39C40H36179.0°180.0°
C39C38C43H38179.1°180.0°
N52C53C55C57113.8°60.0°
N52C53C55C56121.9°180.0°
N52C53C55H443.8°60.0°
C53C55C57C56125.0°120.0°
C53C55C57H44117.5°120.0°
C53C55C56H44118.0°120.0°
C55C53N52H430.5°0.0°
C53C55C56H45180.0°60.0°
C53C55C56H4660.0°180.0°
C53C55C56H4760.0°60.0°
C53C55C57H48180.0°60.0°
C53C55C57H4960.0°60.0°
C53C55C57H5060.0°180.0°
C57C55C56H44117.6°120.0°
C57C55C56H4555.6°60.0°
C57C55C56H4664.5°60.0°
C57C55C56H47175.6°180.0°
C55C57H48H49120.0°120.0°
C55C57H48H50120.0°120.0°
C55C57H49H50120.0°120.0°
C36C35C34C391.0°0.3°
C36C35C34H35180.0°180.0°
C36C35C34O33179.8°180.0°
C41C40C39H36180.0°180.0°
C41C40C39C34179.9°179.5°
C55C56H45H46120.0°120.0°
C55C56H45H47120.0°120.0°
C55C56H46H47120.0°120.0°
C56C55C57H4855.0°60.0°
C56C55C57H49175.0°180.0°
C56C55C57H5065.0°60.0°
C40C39C34C35179.7°180.0°
C40C39C34O331.0°0.3°
C39C40C41H37179.4°180.0°
C39C34C35O33178.8°179.7°
C39C34O33C14175.5°174.0°
C39C34C35H35179.0°179.7°
C34C39C40H360.1°0.6°
C35C34O33C145.7°5.7°
C34O33C14C1390.8°156.1°
C34O33C14C15161.5°90.4°
C34O33C14H1235.8°32.8°
O33C34C35H350.2°0.0°
O33C14C13C15112.4°118.3°
O33C14C13H12127.1°123.3°
O33C14C13C1272.1°140.3°
O33C14C15H12126.3°123.2°
O33C14C15N1674.5°155.8°
O33C14C13H1047.0°100.8°
O33C14C13H11168.7°21.4°
O33C14C15H13166.3°85.8°
O33C14C15H1444.6°37.4°
C14C13C12H10119.1°118.9°
C14C13C12H11119.1°118.9°
C13C14C15H12120.4°118.4°
C14C13C12C10147.8°120.6°
C14C13C12N1627.0°1.2°
C13C14C15N1638.8°37.4°
C14C13C12H991.6°118.3°
C14C13H10H11122.5°122.1°
C13C14C15H1380.4°155.8°
C13C14C15H14157.9°81.0°
C12C13C14C1540.3°22.0°
C13C12C10N16115.1°117.6°
C13C12C10H9120.6°121.2°
C13C12N16H9117.9°119.6°
C13C12C10O1174.2°99.1°
C13C12N16C152.4°25.3°
C12C13H10H11122.5°122.1°
C12C13C14H12160.7°96.4°
C13C12C10OXT153.3°80.7°
C13C12N16H2122.4°145.9°
C14C15N16C1223.2°39.2°
C14C15N16H13119.2°118.5°
C14C15N16H14119.2°118.5°
C15C14C13H10159.4°140.9°
C15C14C13H1178.9°97.0°
C14C15H13H14122.4°123.2°
C14C15N16H296.9°159.7°
C10C12N16H9123.7°121.1°
C12C10O11OXT18.2°179.8°
C10C12N16C15120.7°144.6°
C10C12C13H1093.0°1.7°
C10C12C13H1128.7°120.5°
C12C10OXTHXT90.0°179.7°
C10C12N16H2119.2°94.8°
N16C12C10O1140.8°18.5°
C12N16C15H2120.1°120.5°
N16C12C13H10146.2°117.7°
N16C12C13H1192.1°120.2°
C12N16C15H1396.0°157.7°
C12N16C15H14142.4°79.3°
N16C12C10OXT38.2°161.7°
O11C10C12H9165.1°139.6°
O11C10OXTHXT90.0°0.1°
C15N16C12H9115.6°94.2°
N16C15C14H12159.2°81.0°
N16C15H13H14122.4°123.0°
H9C12C13H1027.6°122.8°
H9C12C13H11149.3°0.7°
H9C12C10OXT86.1°40.5°
H9C12N16H24.5°26.3°
H10C13C14H1280.1°22.5°
H11C13C14H1241.6°144.6°
H12C14C15H1340.0°37.4°
H12C14C15H1481.6°160.6°
H13C15N16H2144.0°81.8°
H14C15N16H222.3°41.2°
H36C40C41H370.6°0.0°
H39C46H40H41120.0°120.0°
H44C55C56H4562.0°180.0°
H44C55C56H46178.0°60.0°
H44C55C56H4758.0°60.0°
H44C55C57H4862.5°NaN°
H44C55C57H4957.5°60.0°
H44C55C57H50177.5°60.0°
H45C56H46H47120.0°120.0°
H48C57H49H50120.0°120.0°

222415

PDB entries from 2024-07-10

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