Figure 4.

Density profile along the axis perpendicular to the bilayer plane (Z axis) calculated on the structures in the absolute minimum of the PMF profile. The reported profiles refer to water (broken blue, solid blue and solid cyan for unperturbed bilayer, with TempL and with Q3K-TempL, respectively), lipid-A (broken gray, solid gray and solid light gray for unperturbed bilayer, with TempL and with Q3K-TempL, respectively), the saccharide moiety of lipid-A (broken dark green, solid dark green and solid light green for unperturbed bilayer, with TempL and with Q3K-TempL, respectively). The black and red lines refer respectively to the whole TempL and Q3K-TempL peptides (below) and to the Q3 and K3 side chain residues (above). To highlight the effects of the mutated residue, the graph above reports a magnification of the central region of the density profile.