Time evolution of the distance between the backbone amide nitrogen atom of CYS 220 and the backbone carbonylic oxygen of THR 155.

<p>Simulations form pdbs 2J1X (Fig. 4 a; μ = 3.169 and σ = 0.323) and 2VUK (Fig. 4 b; μ = 3.165 and σ = 0.254). A cutoff of 3.5 Å for the hydrogen bond was chosen. We have also included (Fig. 4 c; μ = 3.003 and σ = 0.173) the case of molecule B (a modification of PhiKan083, please see below) in complex with T-p53C-Y220C, as simulated form a starting configuration generated from a modification of pdb 2VUK. We mention that this graph shows a single MD run for each case.