Table 9.

Table displaying the binding energy and major protein residues interacting with the ligand within 4 Å

Ligand	Binding energy (kcal/mol)	Key residues interacting within 4 Å
1,2-Bis(trimethylsilyl)benzene	−4.7	PHE 169, THR 395
1,4-Bis(trimethylsilyl)benzene	−4.8	GLU 378, LYS 381
2-Chloroethyl methyl sulfide	−2.5	LYS 381, THR 196, GLU 378, GLU 131, ARG 175, ARG 269, GLU 384, TRP 165, PRO 78, ASP 172
Benzo[h]quinoline, 2,4-dimethyl-	−7.3	ARG 267, ILE 317, LYS 338, ALA 337
Butanoic acid-3-methyl	−3.8	LYS 385, ILE 317, LYS 338, GLY 342, SER 339
Campesterol	−8.6	PHE 169, PRO 171, LEU 382, THR 395
Furan-2,5 dimethyl-	−4.3	LYS 389,PRO 130, ALA 193, SER 357, THR 194,
γ-Sitosterol	−11.0	LEU 382, GLN 383, ALA 380, ILE 396, GLU 378, ILE 375
Hexadecanoic ethyl ester	−5.8	ILE 317, HIS 167, ARG 269, LYS 381
Octadec-9-enoic acid	−5.0	LYS 385, LYS 338, ILE 317, THR 395, SER 391
Octadecanoic acid	−6.1	LEU 382, PHE 169, TYR 419, ILE 317, LYS 381, GLU 384, GLU 201, GLN 164
Propane nitrile, 3-(methylthio)	−2.9	GLY 342, ILE 317, LEU 79
Propionic acid, 2-mercapto-, allyl ester	−3.4	ILE 336, ILE 317, ARG 267, ALA 337
Squalene	−5.4	LYS 385, PHE 169, ARG 386, PRO 171, LEU 382
Stigmasterol	−9.5	PRO 171, LEU 382, PHE 169, GLY 166
trans-13-Octadecenoic acid	−5.4	LEU 382, PHE 169, PRO 171, GLN 164, SER 391
Vitamin E	−7.6	PRO 171, ARG 386, LYS 385, PHE 169, THR 395, ALA 394, GLN 164, SER 391