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B-RAFV600E. A) The conformation of B-RAFV600E after 15 ns of simulation time. The part of the A-loop resolved in the crystal structure (A-loop1) and the modelled portion (A-loop2) are shown. B) A close look at the conformation of the major catalytic residues and the identified hydrogen bond network in the unbounded B-RAFV600E after 15 ns of simulation time. The dotted lines and the adjacent values represent the H-bonds and their distances.
