Quantum-Chemical Description of the Propensity of Amino Acids of Formation of the Peptide Bond

With purpose of quantitative description of peptide bond formation the bond orders (PCO and PNH), the bond lengths (RCO and RNH), the charges on the carbon and nitrogen atoms (qC and qN) of carbonyl and amino groups, the activation energy (?E#) and the reaction Energy (?E) for 400 amino acid pairs by use the quantum - chemical method of Density Functional Theory (DFT) have been calculated. The formula of propensity of amino acids of peptide bonds formation (KP) by means these values were constructed.