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Initial energy minimized structure and middle structures of the most populated cluster of G17(1-4)-NH2 (A–D) and G17(1-4) (E–F) in various solvents: A and E, initial structure; B and F, H2O; C and G, DMSO; D and H, TFE. Backbone structure is color coded: blue, representing 310 helix; pink, random meander structure; cyan, representing β-turn structure. N and C indicate the N- and C-terminus, respectively.
