Figure 3.

(A) Pairwise distances between Ca²⁺ in binding sites II, III and IV, respectively. Distance between Ca²⁺_II− Ca²⁺_III, Ca²⁺_II− Ca_IV, and Ca²⁺_III− Ca²⁺_IV over the course of a 8.76 µs MD simulations for wildtype Ca²⁺-bound cTnC. (B) The simulation starts with a bent central helix and remains the kink for about 800 ns. After about 800 ns, the central helix in cTnC straightens and remains straight until the end of the simulation (0.8 – 8.8 µs).