Fig. 2.

The E102 mutations disrupt the connection between the NT-helix and the C-terminal domain. The Cα atom of residue 102 is shown as a gray sphere and its contacts are shown in yellow sticks with varied thickness proportional to their frequency of the polar interactions to the loop region (residues 34–37) in the simulated conditions. Protein backbone ribbons are colored in green, orange, red, and light green for WT/PD144418 (PD) (A), E102Q/PD (B), E102A/PD (C), and E102D/PD (D) conditions, respectively. (For interpretation of the references to colour in this figure legend, the reader is referred to the web version of this article.)