Fig. 3

a Proteus’ interface. b Four input parameters are required as input: (i) a PDB file (mandatory); (ii) an amino acid chain (mandatory; character, e.g. A); (iii) a residue identifier (optional; for fast search; e.g. E167); and (iv) your email address. c Project’s page. At the top of the page, users can see the project’s name with a link to the page, and the number of mutation pairs suggested by the algorithm. Users can utilize a list of filters (“Show all”, “Positive”, “Negative”, “Hydrophobic”, “Aromatic”, and “Disulfide”) and routine parameters (“Mutation”, “Template”, “Chain”, “n = R1”, “n’ = R2”, RMSD, ΔΔG, and Clash) to sort the proposed mutations according to their own interests. On the right side, users can use the 3D-visualization window to analyze the three-dimensional structure of the target protein (zoom in, zoom out, rotate, and translate). If users want to have a closer view of a specific suggested mutation pair, they can click on the respective “Show” button to show a structural alignment modal. d The structural alignment modal presents the alignment between the triad pairs of wild and mutant (obtained from the template). On the right side, it is available the complete structure of the target protein