Figure 4.

Molecular dynamics simulations demonstrate reorganization of the pathogenic site on SIM1. (A) The monomeric, unbound form of SIM1 shown with the same two orientations from Figure 1. Rendered in ribbons and colored by domain. (B) T46R mutant at zero time and after 100 ns. (C) D707H mutant at zero time and after 100 ns. (D) G715V mutant at zero time and after 100 ns. (E) D740H mutant at zero time and after 100 ns. Ribbons colored by domain and residues within 8 Å of the mutant are shown in licorice stick rendering. The mutant residue is shown in exaggerated Goodsell rendering.