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PMF calculations and representative structures for wild-type NPY and mutants. (A) PMFs obtained for all 4 peptides using a sampling size of 100 trajectories per stage at a pulling velocity of 10 Å/ns; wild-type NPY (black), Y20F (blue), Y27F (green), and Y20F + Y27F (red). Only the first 70 Å of the pull are shown for clarity. (B) Representative structures for each peptide at 20, 40, and 60 Å.
