Table 1b. List of amino acid residues contributing to the hydrophobic pockets in docking of trehalose analog inhibitors into mycolyltransferase, Ag85C.

Trehalose inhibitors	GoldScore		ChemScore
	R1	R2	R1	R2
11b	Ala665, Leu661, Ile662, Leu540, Gly539, Met625, Leu727, Phe650, Leu623	Pro763, Thr553, Ala555, Pro554, Ile551, Asp550	Ala542, Gle539, Leu540, Leu727, Leu727 Trp765	Tyr546,Gln525,Tyr510, Asp550, Ile551
15a	Leu540, Ala665, Ile662, Leu661, Trp658, Leu730, Phe650, Leu727	Ala542, Gln543, Gly548, Asn552	Leu540, Phe576, Ala665, Ile662, Leu661, Trp658, Phe650, Leu730	Gly548, Asn552, Pro763, Gly719, Trp762
18b	Leu540, Ala665, Ile662, Leu661, Trp658, Leu730, Phe650, Leu727	Ala542, Gln543, Gly548, Asn547, Ile551, Asn552	Ala665, Ile662, Leu661,Trp658, Leu730, Phe650, Leu727	Ala542,Gln543, Asp545, Ile551, Gly548