The spatial structure of the hexapeptide molecules Pro-Gly-Pro-Gly-Pro-Gly, Pro-Gly-Pro-Gly - Pro-Arg and the conformational properties were investigated using theoretical conformational analysis method. These glyproline molecules regulate many of functions of a living organism. Using these regulatory peptides of the human body, you can create new and effective drugs. The potential energy of the each glyproline molecule was chosen as the sum of the non-valent, electrostatic and torsional interaction energies and the energy of hydrogen bonds. The low-energy conformations of earth molecule, the dihedral angles of the backbone and side chains of the amino acid residues of the hexapeptides, and the energies of intra- and inter-residual interactions were determined. It is revealed that low energy conformations of these molecules have the folded type of backbone. These folded forms bring parts of the backbone and the side chains of the amino acids together, and they result in convenient interactions.
hexapeptide, conformation, molecule, spatial structure
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