gene = "alr"
drug = "cycloserine"

aa_plip = c(66, 70, 112, 196, 237, 252, 254, 255, 295, 314, 343)
aa_ligplus = c(66, 64, 70, 112, 196, 236, 237, 252, 253, 254, 255, 388 )
#active_aa_pos = c(66, 64, 70, 112, 196, 236, 237, 252, 253, 254, 255, 295, 314, 343, 388)
active_aa_pos = sort(unique(c(aa_plip, aa_ligplus)))

#aa_plip = c(66 = "hbond"
#, 70 = "hbond"
#, 112 = "hydrophobic"
#, 196 = "hbond"
#, 237 = "hbond"
#, 252 = "hbond"
#, 254 = "hbond"
#, 255 = "hbond"
#, 295 = "hbond"
#, 314 = "hbond"
#, 343 = "hbond")

#aa_ligplus = c(66  = "hbond"
#, 64  = "hydrophobic"
#, 70  = "hydrophobic"
#, 112 = "hydrophobic"
#, 196 = "hbond"
#, 236 = "hydrophobic"
#, 237 = "hbond"
#, 252 = "hydrophobic"
#, 253 = "hydrophobic"
#, 254 = "hbond"
#, 255 = "hbond"
#, 388 = "hydrophobic"
#)