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a Global minimum conformation of 4 from the density functional theory method must surmount energy barriers of just over 3 kcal/mol to reach conformations that mimic the i and i + 4 residues in a parallel β-sheet (ΔGo values shown in kcal/mol). b Overlay of the latter conformation on a parallel β-sheet (shown color coded on the left and in pink on the right).
