Root mean square deviations (RMSD) from the starting structure of the C^α atoms, as a function of the residue number, for apo-<i>Tth-</i>MCO (black) and holo-<i>Tth-</i>MCO (red) for the last 18 ns of a 38 ns-long simulation.

<p>Deviations are averaged over C^α fragments with a homogeneous secondary structure. Error bars represent the standard deviation. Secondary structure elements are shown at top: β-sheet (black) and α-helix (grey).