Fig. 9

The target protein secondary structures with bound lopinavir. At the top is the secondary structure visualization on pymol with regions making up the alpha helix, beta sheets, and loops shown in light blue, purple, and brown, respectively. Below is the prediction by CFSSP where the red, green, yellow, and blue lines depict regions of the helices, sheets, turns, and coils (loops), respectively. The predicted secondary structure composition shows a high degree of alpha helix and beta sheets, respectively, occupying 45 and 47% of the total residues with the percentage loop occupancy at 8%