Figure 3.
Changes of the center of mass (COM) distance (Z) between the low pH T-domain models and lipid bilayers along the bilayer normal axis. (A) COM distances obtained from orientation B1 (black line) and orientation B2 (cyan). Simulations were performed at T = 310 K. (B) COM distances obtained from orientation B1 (red) and acidic side-chains neutralized (blue lines). Simulations were performed at T = 323 K. All histidines are set in their protonated state in all simulations, and other acidic residues are set in their standard state, unless indicated.