Figure 6. Molecular interaction of NPDKV, DGGGR, and WLPEP motif. The representative structural frame obtained from a most populated cluster from the 200 ns MD simulation data is presented in the top panel. The cluster was based on the pairwise best-fit RMSDs. The stable and consistent interactions were mapped on these structures. A circle shows salt bridge interactions—the double arrow marked by À1 and B1 depicts the increase in distance between the D30 and R76. The double arrow marked by C1 and D1 depicts the close contact of the D30 and R76 residues. Arrow marked by A2 and B2 indicates a close distance between the Cα of the E86 and K280. Arrow marked by C2 indicates a large distance between Cα of the E86 and K280 residues compared to A2 and B2. The colors of the figures are similar to the previous figures.