Figure 2.

(A) Helix 17, in core domain, and helices 20 and 21, in the C-terminal domain, are highlighted in red and light blue colours, respectively. (B–D) Only the helices are shown in representative snapshots of the Tyr729Lys, wild-type and Tyr729Pro simulations, respectively. The side chains of Lys720, in helix 20, of the mutated residue 729, in helix 21 and of Tyr619, in helix 17, are shown in ball and stick. Stable direct hydrogen bonds, when present, are indicated with a white line.