Fig. 3

Modeling validation of all combinations using the ProSA and PROCHECK web servers. The refined model of each combination was submitted to the ProSA and PROCHECK servers for structure validation. The ProSA-web server provides Z-score for an entry structure and compares it with the Z-score of naïve proteins with known 3D structures of the same size. Left graphs represent the Z-score plot by ProSA, which indicates overall model quality. Black circles describe the Z-score of the corresponding combination. The predicted Z-score of all combinations was approximately between (−5) and (−8) similar to native proteins. The PROCHECK server shows the protein structure stereochemical quality by plotting the phi-psi torsion angles for each residue in the allowed and disallowed regions. Right graphs represent PROCHECK analysis of allowed vs. non-allowed atomic distance. For all models, more than 95% of residues were located in the favored and allowed regions, indicating protein stability