Figure 2: MD simulation. | Scientific Reports

Figure 2: MD simulation.

From: A hydrophobic patch surrounding Trp154 in human neuroserpin controls the helix F dynamics with implications in inhibition and aggregation

Figure 2

Root Mean Square Fluctuations (RMSF) of all residues of WT NS (black line), W154A (green line) and W154P (red line) were calculated after energy minimization essentially as described in material and methods. The highlighted region represents the larger observed fluctuations in helix F, strands 1A and 2A in W154A and W154P compared to WT NS. Table showing Root Mean Square Displacement (RMSD) at maximum stationary value, Solvent Accessible Surface Area (SASA), radius of gyration and hydrogen bond with more than 50% occupancy.

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