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SummaryGeometryRelated PDB entries

LS1

Bonds
First atomSecond atomBond order typeDistance
(experimental model)		Distance
(ideal model)		Properties
N1C2sing1.34Å1.36Å
N1C8sing1.39Å1.38Å
N1H1Nsing0.97Å1.02Å
C2C3sing1.47Å1.50Å
C2O11doub1.22Å1.24Å
C3C9sing1.48Å1.44Å
C3C12doub1.37Å1.34Å
C4C5doub1.38Å1.49ÅAromatic
C4C9sing1.39Å1.50ÅAromatic
C4H41sing1.08Å1.10Å
C5C6sing1.39Å1.48ÅAromatic
C5H51sing1.08Å1.10Å
C6C7doub1.38Å1.49ÅAromatic
C6H61sing1.08Å1.10Å
C7C8sing1.39Å1.48ÅAromatic
C7H71sing1.08Å1.10Å
C8C9doub1.40Å1.45ÅAromatic
C12N17sing1.36Å1.47Å
C12H121sing1.08Å1.10Å
N17C20sing1.40Å1.35Å
N17H17Nsing0.97Å1.02Å
C20C21doub1.39Å1.50ÅAromatic
C20C25sing1.39Å1.48ÅAromatic
C21C22sing1.38Å1.45ÅAromatic
C21H211sing1.08Å1.10Å
C22C23doub1.38Å1.47ÅAromatic
C22H221sing1.08Å1.10Å
C23C24sing1.38Å1.49ÅAromatic
C23S30sing1.76Å1.75Å
C24C25doub1.38Å1.47ÅAromatic
C24H241sing1.08Å1.10Å
C25H251sing1.08Å1.10Å
S30O31doub1.42Å1.42Å
S30O32doub1.42Å1.43Å
S30N33sing1.65Å1.65Å
N33C35sing1.47Å1.46Å
N33H33Nsing0.97Å1.02Å
C35H351sing1.09Å1.12Å
C35H352sing1.09Å1.11Å
C35H353sing1.09Å1.11Å
Angles
First atomSecond atomThird atomAngle
(experimental model)		Angle
(ideal model)
C2N1C8110.0°111.4°
C2N1H1N124.5°124.4°
N1C2C3108.7°108.0°
N1C2O11127.7°126.0°
C8N1H1N125.6°124.2°
N1C8C7130.1°131.7°
N1C8C9109.8°109.1°
C3C2O11123.5°126.0°
C2C3C9105.2°105.0°
C2C3C12126.5°127.4°
C9C3C12128.2°127.5°
C3C9C4132.0°133.2°
C3C9C8106.3°106.4°
C3C12N17123.7°120.0°
C3C12H121113.1°120.0°
C5C4C9118.5°119.7°
C5C4H41120.5°120.1°
C4C5C6119.7°120.1°
C4C5H51120.3°120.0°
C9C4H41121.0°120.2°
C4C9C8121.7°120.4°
C6C5H51119.9°119.9°
C5C6C7120.4°120.6°
C5C6H61119.4°119.7°
C7C6H61120.1°119.7°
C6C7C8119.4°120.1°
C6C7H71120.9°119.9°
C8C7H71119.7°120.1°
C7C8C9120.1°119.1°
N17C12H121123.2°120.0°
C12N17C20125.5°120.0°
C12N17H17N106.6°120.0°
C20N17H17N106.6°120.0°
N17C20C21124.9°120.1°
N17C20C25115.0°120.1°
C21C20C25120.1°119.8°
C20C21C22120.1°120.0°
C20C21H211121.8°120.0°
C20C25C24119.3°120.0°
C20C25H251120.7°120.0°
C22C21H211118.0°120.0°
C21C22C23119.6°120.1°
C21C22H221119.5°120.0°
C23C22H221120.9°119.9°
C22C23C24121.2°120.1°
C22C23S30117.6°119.9°
C24C23S30120.3°120.0°
C23C24C25119.6°120.1°
C23C24H241120.8°119.9°
C23S30O31107.2°105.8°
C23S30O32108.4°105.7°
C23S30N33109.6°107.4°
C25C24H241119.6°120.0°
C24C25H251120.0°120.0°
O31S30O32117.5°125.3°
O31S30N33109.9°105.7°
O32S30N33104.0°105.8°
S30N33C35129.1°120.0°
S30N33H33N105.4°120.1°
C35N33H33N105.4°119.9°
N33C35H351105.4°109.5°
N33C35H352129.1°109.4°
N33C35H353105.4°109.5°
H351C35H352105.4°109.4°
H351C35H353103.8°109.5°
H352C35H353105.4°109.5°
Dihedrals
First atomSecond atomThird atomFourth atomTorsion
(experimental model)		Torsion
(ideal model)
C2N1C8H1N180.0°180.0°
N1C2C3O11177.0°179.9°
N1C2C3C91.4°0.2°
N1C2C3C12177.9°180.0°
C2N1C8C7177.8°180.0°
C2N1C8C91.7°0.2°
C8N1C2C31.9°0.0°
C8N1C2O11174.9°180.0°
N1C8C9C30.8°0.3°
N1C8C9C4179.9°179.7°
N1C8C7C6178.3°179.9°
N1C8C7C9179.5°179.7°
N1C8C7H711.7°0.0°
H1NN1C2C3178.1°180.0°
H1NN1C2O115.0°0.0°
H1NN1C8C72.2°0.0°
H1NN1C8C9178.3°179.8°
C2C3C9C12176.4°179.9°
C2C3C9C4178.9°179.5°
C2C3C9C80.4°0.3°
C2C3C12N175.7°0.1°
C2C3C12H121174.3°180.0°
O11C2C3C9175.6°179.7°
O11C2C3C120.9°0.1°
C3C9C4C5179.4°179.6°
C3C9C4C8179.1°179.1°
C3C9C4H410.6°0.6°
C3C9C8C7178.8°179.9°
C9C3C12N17170.0°179.7°
C9C3C12H12110.0°0.2°
C12C3C9C42.4°0.6°
C12C3C9C8176.8°179.8°
C3C12N17H121180.0°179.9°
C3C12N17C20170.0°180.0°
C3C12N17H17N44.7°0.2°
C5C4C9H41180.0°179.8°
C4C5C6H51180.0°180.0°
C4C5C6C72.4°0.1°
C4C5C6H61177.6°180.0°
C5C4C9C80.3°0.5°
C9C4C5C60.7°0.3°
C9C4C5H51179.4°179.7°
C4C9C8C70.5°0.6°
H41C4C5C6179.3°179.9°
H41C4C5H510.7°0.0°
H41C4C9C8179.7°179.7°
C5C6C7H61180.0°179.9°
C5C6C7C83.2°0.1°
C5C6C7H71176.8°180.0°
H51C5C6C7177.6°180.0°
H51C5C6H612.4°0.0°
C6C7C8H71180.0°179.9°
C6C7C8C92.2°0.3°
H61C6C7C8176.8°180.0°
H61C6C7H713.2°0.1°
H71C7C8C9177.7°179.8°
C12N17C20H17N125.3°179.8°
C12N17C20C2125.9°180.0°
C12N17C20C25154.5°0.1°
H121C12N17C2010.0°0.1°
H121C12N17H17N135.3°179.9°
N17C20C21C25179.6°179.9°
N17C20C21C22179.5°180.0°
N17C20C21H2110.4°0.1°
N17C20C25C24179.5°179.7°
N17C20C25H2510.5°0.0°
H17NN17C20C2199.4°0.1°
H17NN17C20C2580.2°179.9°
C20C21C22H211180.0°179.9°
C20C21C22C230.3°0.1°
C20C21C22H221179.6°180.0°
C21C20C25C240.8°0.2°
C21C20C25H251179.2°179.9°
C25C20C21C220.9°0.0°
C25C20C21H211179.1°179.9°
C20C25C24C230.4°0.5°
C20C25C24H251180.0°179.7°
C20C25C24H241179.6°179.9°
C21C22C23H221180.0°180.0°
C21C22C23C241.6°0.2°
C21C22C23S30170.8°180.0°
H211C21C22C23179.6°180.0°
H211C21C22H2210.4°0.0°
C22C23C24S30168.9°179.8°
C22C23C24C251.6°0.5°
C22C23C24H241178.4°180.0°
C22C23S30O3164.7°22.6°
C22C23S30O32167.5°157.4°
C22C23S30N3354.6°90.0°
H221C22C23C24178.4°179.8°
H221C22C23S309.2°0.0°
C23C24C25H241180.0°179.6°
C23C24C25H251179.6°179.8°
C24C23S30O31104.6°157.2°
C24C23S30O3223.2°22.4°
C24C23S30N33136.1°90.2°
S30C23C24C25170.5°179.8°
S30C23C24H2419.4°0.2°
C23S30O31O32122.3°123.1°
C23S30O31N33119.1°113.8°
C23S30O32N33116.5°113.7°
C23S30N33C3561.0°60.0°
C23S30N33H33N173.8°120.1°
H241C24C25H2510.4°0.3°
O31S30O32N33121.8°123.1°
O31S30N33C3556.7°172.7°
O31S30N33H33N68.6°7.5°
O32S30N33C35176.7°52.6°
O32S30N33H33N58.1°127.3°
S30N33C35H33N125.3°179.9°
S30N33C35H35154.7°180.0°
S30N33C35H352180.0°60.0°
S30N33C35H35354.7°60.0°
N33C35H351H352138.9°119.9°
N33C35H351H353110.6°120.1°
N33C35H352H353125.3°120.0°
H33NN33C35H351180.0°0.2°
H33NN33C35H35254.7°120.1°
H33NN33C35H35370.5°119.9°
H351C35H352H353109.4°120.0°

224931

PDB entries from 2024-09-11

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