Fig. 4.

Graphical representation of MD simulation data. a RMSD graph representing the significance difference in the deviation pattern between wild type and mutated protein over time, b Amino acid residues of both wild type and mutated protein were plotted on x-axis against RMSF values on y-axis to analyze the difference in the fluctuation of both proteins from the reference point, c Radius of gyration of both wild type and mutated protein shows the compactness of protein in a dynamic setting as the simulation proceeds and d Represents the difference in the number of hydrogen bonds between wild type and mutated protein as simulation proceeds