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The relative energies of the reactant R, product P, and the transition state TS for the peptide bond formation between two glycine molecules are given in kcal mol−1 and calculated at the B3LYP/6–311++G (2d, 2p) level of theory including dispersion effects. The most relevant distances, angles, and dihedral angles in the gas state were listed on the right side. The length of the peptide bond is included (in bold).
