Fig. 6. Illustration of the ligand binding site predictions of domain A. The ligand binding site predictions of domain A were executed by COACH, combining the results from five algorithms: COFACTOR, TM-SITE, S-SITE, FindSite and ConCavity. The first PDB hit, 3y3yA, was selected with a C score of 0.06, a cluster size of 4 and binding to the peptide ligand. The predicted ligand binding is indicated with yellow-green spheres, and the corresponding binding residues are shown with blue balls and sticks.