Fig. 11.

View of the active site showing the side chains of residues Ile14 and Ile94 near the cofactor and the substrate, respectively. (b and c) Two-dimensional free energy surface corresponding to the χ₁ rotameric dihedral angle (N-C_α-C_β-C_γ1) along the reaction coordinate for residues Ile14 (middle) and Ile94 (right). Both residues explore a minor trans conformation near the barrier region (see Fig. 9). In the trans rotameric state these residues interact unfavorably with the substrate and cofactor bringing the two reactants close to each other. (Fig. 4 of Arora K and Brooks, C. L. (2009), J. Amer. Chem. Soc. 131:5642, Copyright © 2007, The American Chemical Society)