PMF results comparing the separation of a LK dimer in bulk water for the cases where lysine residues are positively charged, lysine residues are neutral and the leucine residues are in silico mutated to alanine residues.

<p>The curves are shifted so that the maximum points are zero. The distance refers to the distance between the center of mass of backbone atoms of the peptides. For the mutated AK dimer, when the peptides are in contact they maintain their helical structures. However when they are separated or when they make a loose contact the <i>α</i>-helical structure is not conserved.