Research Article

Study on Molecular Recognition between Euphorbia Factor L713283 and β-Tubulin via Molecular Simulation Methods

Table 2

The dihedral angle information of both rings and side chains for L713283 molecule.

RegionsDihedral anglesAverage valueStandard deviationFluctuation scopeInitial structure

Large ringC1-C2-C3-C4−174.7913.527.6%−172.51
C2-C3-C4-C5−131.8914.578.1%−136.26
C3-C4-C5-C111.507.604.2%3.20
C4-C5-C11-C1238.748.294.6%36.22
C5-C11-C12-C13−127.447.664.3%−128.23
C11-C12-C13-C16175.506.013.3%174.21
C12-C13-C16-C18−59.917.304.1%−60.01
C13-C16-C18-C19−60.986.263.5%−61.29
C16-C18-C19-C1127.874.982.7%128.63
C18-C19-C1-C2−63.137.404.1%−64.52
C19-C1-C2-C3−33.8015.418.6%−38.25

Middle ringC18-C19-C21-C2235.674.572.5%35.29
C19-C21-C22-C23−33.614.392.4%−33.54
C21-C22-C23-C1842.044.632.6%40.52
C22-C23-C18-C19123.504.312.4%123.48
C23-C18-C19-C21−105.845.212.9%−103.24

Side chainO20-C19-C21-C22−152.064.862.7%−153.91
O25-C23-C18-C19179.826.113.4%177.10
O17-C16-C18-C19122.908.304.6%129.51
C14-C13-C16-C18−8.416.823.8%−10.21
O7-C6-C4-C3−88.595.863.2%−89.54

The fluctuation scope is the standard deviation/180.