Salt bridges found for apo-Tth-MCO and holo-Tth-MCO.

Salt bridges present in the average conformation within a cutoff distance of 0.50 nm from each other, as seen during the last 18 ns of time for MD simulation of both conformational states (see methods). D1, salt bridge in domain 1; D2, salt bridge in domain 2; D3, salt bridge in domain 3; D1–D2, salt bridge between domains 1 and 2; D1–D3, salt bridge between domains 1 and 3; D2–D3, salt bridge between domains 2 and 3. Salt bridge *solvent-exposed,xsolvent buried and larger than 0.5 nm (–).