Figure 5
Aerolysin oligomers dynamics. (a) Overlap coefficients between the prepore normal modes and, from left to right, the post-prepore modes, the pore modes, and the PCs calculated from the MD trajectories of the prepore in water, the prepore in contact with a lipid bilayer, and the pore. (b) Mode 5 of the NMA calculated from the prepore model, showing a piston-like motion. (c) Projection onto mode 5 of the prepore MD trajectories (red and blue for simulation in absence and presence of a lipid bilayer, respectively), together with the prepore (orange), post-prepore (green) and pore (magenta) structures. (d) Hinge regions for mode 5, with only one protomer colored, and showing residues P248, R144 and E367. (e) Anti-correlations between residues on mode 5, with only one protomer colored in red.
