Protein dynamics fingerprint for wt, Δ21, and mutants ApAAP variants.

The projections of the displacement described by the first principal component on the 3D structure are shown for wt (A), Δ21 (B), I12A (C), V13A (D), V16A (E), L19A (F), and I20A (G) ApAAP variants with the different simulation frames colored with different shade of colors from light cyan to purple. The catalytic triad and the α1-helix are shown as spheres and cartoon, respectively. The analyses were also carried out for the second and third components, which provide the same general view and are therefore not presented here.