Fig. 2. Wildtype and Y220C simulation results. (a) Free energy landscape of wildtype (top) and Y220C (bottom) in terms of tICA components (tICs). (b) Representative conformations from the wildtype preferred states. Loops L1 and L6 are highlighted in blue and orange, respectively. (c) Feature correlation with the first five tICA components. Pairwise distances involving L1 or L6 loop anchor residues are indicated.
