Figure 4
From: Dissecting the evolvability landscape of the CalB active site toward aromatic substrates
Comparison of RIN and Normal Mode Analysis (NMA) for CalB (T138G/V190A) and CalB (T138G/V190A/D134S). (A) Ribbon diagram comparison between double mutant T138G/V190A before (left) and triple mutant T138G/V190A/D134S (right). D134 and S134 are shown as green and red spheres, respectively. Residues affected by the loss of RIN connections after introduction of the D134S substitution are shown as gold spheres (green connections in Fig. S4C). Side-chains of the catalytic triad are shown as sticks. (B) Trajectories obtained from Normal Mode Analysis (NMA) of double mutant T138G/V190A (left) and triple mutant T138G/V190A/D134S (right). The main differences in large-scale conformational exchange between both variants is concentrated in the structural motif marked by a black circle. Relative location of this motif relative to the active-site cavity is illustrated by the small structural bottom inset (active site in blue surface representation).
