Molecular explanations for the structural changes.

<p>The rigidity analysis provided information based on the structural rigidity and flexibility of residues. (A) 10 ns snapshots of a) WT and b) Arg177His, (B) 9 ns snapshots of a) WT and b) Ala216Thr and (C) 1 ns snapshots of a) WT and b) Glu258Lys. Here, blue represents rigid regions and black and gray indicates flexible regions. The mutational spots are shown in yellow arrow. As the Ala216Thr affected the distal region of the domain, the position of this mutation has not shown. The hydrogen bonds (red lines) that are missing in the mutants are marked in black and the newly formed hydrogen bonds in the mutants are shown in light blue.