TABLE 4.

Residues present at different binding sites predicted to be in contact with PC2 inhibitors

Residues within 2 Å are shown in bold.

	Active Site	Allosteric Site 1	Allosteric Site 3
166830	Phe93 His96 Leu129 Asp130 Gln131 Pro132 Phe133 Thr135 Glu139 Trp157 Gly158 Asp161 Asp167 Gly168 Arg170 Asp203 Tyr210 Glu233	Asp55 His96 Arg99 Leu129 Ser156 Trp157 Gly158 Pro159 Asp161 Trp194 Ala195 Ser196 Gly197 Asp198 Asp208 Ala211 Tyr231 Arg267 Ser269 Gly270 Ser272
166829			Gly168 Pro169 Leu174 Ala178 Gly209 Ser212 Ser213 Met214 Trp215 Arg353 His355 Gln396 Lys439 Trp440 Pro441 His480 Met478
166369	Asp55 Asp56 Phe93 Asn94 His96 Leu129 Phe133 Thr135 Glu139 Trp157 Gly158 Pro159 Thy160 Asp161 Asp167 Arg170 Trp194 Ala195 Gly197 Asp198 Asp203 Asp208 Glu233 Ser272	Asp55 Asp91 Trp92 Phe93 Ser95 His96 Arg99 Ser156 Asp198 Tyr231 Asp259 Leu260 Tyr261 Asn263 His268 Ser269 Ser272