Dynamical behaviors.

Abstract

<p>(a–b). Structure snapshots (one structure for 1-ns interval) for two independent MD simulations for the WT- (blue) and T46I- (red) MSP domains. (c). The MSP structure in which cyan is utilized to indicate the WT-MSP residues with RMSF values larger than the average. (d). The MSP structure in which red is used to indicate T46I residues whose RMSF values are larger than those of the WT-MSP domain. The two mutation residues causing ALS, P56S and T46I, were displayed as spheres. (e). The MSP structure in which green is used to indicate residues whose hydrogen bonds occupancy difference is larger than 10% between WT and T46I while red is for residues whose hydrogen bonds occupancy difference is larger than 10% between T46I and WT.</p