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. 2022 Nov 2;55(1):33–49. doi: 10.1007/s00726-022-03201-0

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Fig. 4 — The potential energy surfaces E = f(φ,ψ) for Ac-l-Ala-[psi]Imz-5-Me (2) calculated at M06-2X/6–31+G(d,p) method in the gas phase, chloroform, and water. Energy contours are plotted every 1 kcal/mol. The darker colour indicates the high in energy regions and the lighter—low in energy regions. Below maps are the conformations optimised in water with the most important electrostatic interactions (◄⋯►) and hydrogen bonds (⋯) created within the residue