Figure 1 | Scientific Reports

Figure 1

From: Using Accelerated Molecular Dynamics Simulation to elucidate the effects of the T198F mutation on the molecular flexibility of the West Nile virus envelope protein

Figure 1

RMSD (A) and RMSF (B) during 500 ns of aMD simulation. In (A), changes in conformations are illustrated for different times (0, 100, 200, 300, 400 and 500 ns), showing that the T198F system presents lower RMSD values, suggesting limited changes in conformation. In (B), the residues with more fluctuations are displayed (71–89 and 96–113). It is also shown the illustration of the envelope protein, depicting DI (yellow), DII (red), DIII (blue) and the fusion loop (FL, green). The green shaded region comprises the residues 96–113 (FL) while the red shaded region comprises the residues 71–89.

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