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" #)