Figure 5.

Effect of D¹⁸⁴E mutation. (A) Root-mean-square deviations (RMSD) computed with respect to the 3GD8 crystal structure [21] for the C-alpha atoms belonging to the hAQP4 loop D for both mutated (blue line) and wild-type (red line) form; (B) Time-dependence of the distance between the center of mass of the oxygen atoms in the acidic side chain of residue at position 184 and the center of mass of the nitrogen atoms in the side chain of R182, adapted from reference [27]. Coordinates were saved every 3 ps (400 frames for a total simulation time equal to 1.2 ns).