Figure 4
(A) Construct 1: Molecular dynamic analysis Graphs. (i) Variations in temperature recorded during the simulation. During the process the recorded temperature crossed 300 K but lesser fluctuations were recorded after a time window of 100 ps (hence lower average (299 K) (ii) variations in pressure recorded during simulation: graph depicts average pressure 4.45709 bar at 100 ps (iii) variations in density: the average density is estimated as 1008.87 g/l. (iv) Radius of gyration: graph shows that vaccine is stable throughout the process (v) RMSD graph illustrating RMSD calculated RMSD of protein backbone ~ 5.5 nm of construct 1 (vi) RMSF plot generated in accordance to side chains: peaks depict highly flexible areas (Images generated by Gromacs72). (B) Construct 2: Molecular dynamic analysis Graphs. (i) Variations in temperature recorded during the simulation. During the process the recorded temperature crossed 300 K but lesser fluctuations were recorded after a time window of 100 ps, hence lower average (299 K) (ii) variations in pressure recorded during simulation: graph depicts average pressure 2.95635 bar at 100 ps (iii) variations in density: the average density is estimated as 1023.16 g/l. (iv) Radius of gyration: graph shows that vaccine is stable throughout the process (v) RMSD graph illustrating RMSD calculated RMSD of protein backbone ~ 5.5 nm of construct 1 (vi) RMSF plot generated in accordance to side chains: peaks depict highly flexible areas (Images generated by Gromacs72).
