Figure 3.

Formation and breaking of key residue-residue contacts during the simulation of the full-length construct. (a) A side view and (b) a top view of the structure. (c) An enlarged region showing the intrasubunit hydrogen bond between W77 and Q122, with cyan sticks and spheres shown for the side chains; the other salt bridge, R119-E229, is shown as white sticks. (d) The salt bridge between R119 and E229 is depicted (cyan sticks and spheres are shown for the side chains, and the other H-bond, W77-Q122, is shown with white sticks). (e) (top) Distances of the W77 and R118 side chains in each of the four different subunits during the course of the simulation; (center) lengths of the W77-Q122 H-bond in each of the four different subunits during the course of the simulation and (bottom) lengths of the E119-R229 salt bridge of four different subunits over the course of the simulation. The distribution (over all four chains) is shown on the right. To see this figure in color, go online.