Root mean square deviation (RMSD) of the binding groove of H-2K^b (residues 1–180, gray), bound to the indicated peptides.

<p>The values were calculated from frames of two independent MD simulations. <b>(A)</b> RMSD time course for trajectories of the complexes derived from the K^b/SIINFEKL crystal structure. <b>(B)</b> RMSD probability distribution of all trajectories for each molecule. <b>(C)</b> RMSD time course for the trajectories of the complexes derived from the K^b/FAPGNYPAL crystal structure. <b>(D)</b> RMSD probability distribution calculated over the trajectories for each molecule.