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Representative structures of the [SPQAEK + 2H]2+ ions with Ser1–Pro2 peptide bond in the cis (a) and trans (b) forms obtained from molecular modeling simulations. Amino acid side chains, terminal regions, and the geometry of the Ser1–Pro2 bond are labeled for clarity. H-bonds determined using the recommended relaxed constrains in Chimera are represented as dotted lines [43]
