Table 3. SsAII-2 putative binding site residues.

PF06089.11 family conserved residues are shown in bold.

Site	Ligand-binding positions predicted by AutoLigand	Ligand-binding positions predicted by blind molecular docking
A	Arg 58, Ser 59, Lys 62, Asn 141, Ser 143, Gly 144, Lys 145, His 146, Ala 147, Gly 236, Gly 237, Asp 238, Gly 239, Lys 255, Gly 256, Gly 257, Ala 258, Pro 281, Leu 326	Asn 135, Thr 136, Arg 137, Arg 139, Asn 141, Gly 144, His 146, Asp 192
B	Ala 85, Gly 86, Ser 87, His 88, Thr 89, Gly 90, Gln 91, His 94, Leu 164, Asp 165, Pro 166, Gly 167, His 168, Leu 173, Glu 177, Gly 178, Asp 180	–