(A) Sequence plot of total mutual information values correlating
active site dihedral conformations to the rest of AIF. No ligand (●),
CTC (○).
(B) Scaled color maps of mutual information values for ligand-free
(left) and CTC (right) trajectories highlighting increased active site
correlation at the Cβ-clasp and central β-strand.
(C) Table of ranked total MI values for ligand-free and CTC
trajectories. Residues associated with the central β-strand or the
Cβ-clasp are indicated in bold.