Figure 8.

Schematic representation to define the flap–structure dynamics in the free and bound CsCatD2. (A) Parameters used to describe the flap dynamics of the active site and flap region: the distance (d₁) between the flap tip and flexible region hinge residue, the dihedral angle (ϕ) and the TriCα angles (θ₁ and θ₂). (B) Parameter values obtained from the average free and bound CsCatD2 during MD simulations at neutral (pH 7) and acidic (pH 4) conditions. Four residues in active sites are shown in sticks.