EXIA2: Web Server of Accurate and Rapid Protein Catalytic Residue Prediction

Figure 1

Overview of the EXIA2 web server. The input of the EXIA2 web server is a protein structure. EXIA2 first scans all possible catalytic sites in the structure and then computes the side chain orientation of residues in each candidate site. A residue receives higher score when it and its neighboring residues have their side chains pointing to their center position. The structure flexibility of residues is also included in scoring. After the structure-based calculation is finished, users may optionally add the sequence conservation from PSI-Blast, which usually takes longer calculation time. The final results are the possible catalytic residues ranked by their scores and all the detailed scores (side chain orientation score, structure flexibility score, and sequence conservation score) calculated in the prediction process.