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Example of water molecules leaving the trough formed by Thr residues during the simulation of TmAFP-water-ice solution. (a) Before simulation (0 ps); (b) 30 ps. Yellow ribbons represent the local backbone. Thr side chains and water molecules are also displayed: oxygen, nitrogen, and carbon atoms are represented in red, blue, and green, respectively. Left and right panels show the same substructure tilted vertically for a better three-dimensional appreciation.
