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P741R variant. (a) RMSF and (b) Neq for the simulations with two forcefields (OPLS in red, Gromos in black). (c) Corresponding ΔPB between the two forcefields for the variant, with zoom on position 741. (d,e) depict the PB maps for residue 741 of the wild-type system and for the variant respectively (see also Figure S4), and (f,g) show the corresponding conservation Logo. The squares in black, the arrows in red and the line in blue mark the position of residue 741.
