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Time evolution and PMFs of specific contact distances involving (a and c) R55 and D44 and (b and d) R55 and F47. The distance between R55 and D44 fluctuates throughout the trajectory and shows multiple shallow free energy minima. In contrast, the distance measuring the contact between R55 and F47 is stable during the entire trajectory, with a single free energy minimum at 5.5 Ǻ. The results indicate that the R55/F47 contact is the more stable of these 2 residue pairs.
