Fluoride and water molecules unbinding from the F82 and F85 sites of Fluc.

<p>Position change in <i>z</i>-direction normal to membrane in MD simulations. (A) Fluoride position inside Fluc with blocking L2 monobodies. (B) Water molecule position in Fluc with blocking L2 monobodies. (C) Fluoride position inside Fluc without monobodies. (D) Water molecule position in Fluc without monobodies. Green curves represent the molecules starting at F85 site, and blue curves belong to molecules starting at F82 site. Different shades of green and blue indicate starting positions in the two homodimers of Fluc.