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(A) Evolution of the filtering parameter v), the distance between the Cα atoms of the Sec7 domain residue F137 and Capping domain residue F255, during the three concurrent 200 ns MD runs starting from the closed, autoinhibited RalF conformation. (B) Interaction energy map between the residues of the Sec7 and the Capping domain, calculated on the conformations retrieved from the three MD runs.
