By theoretical conformational analysis method have been investigated the spatial structure and conformational properties of Pro-Leu-Gly-NH2-melanocyte-stimulating hormone-release-inhibiting factor (MIF-1) and Tyr - MIF - 1 [Tyr-Pro-Leu-Gly-NH2]. Conformational analysis indicate that the spatial structure of these can be described by set of low-energy conformations. It is shown that each of endogenous peptides forms energetically favoured conformations with compact quasicyclic structure. Calculations produced the values of all dihedral angles of the backbones and side chains and also intra- and inter-residue interactions energy contributions at the preferred conformations of peptides. The comparison of the geometric and energetic parameters of stable conformations of two brain peptides permit to determine the conformational flexible and conservative segments of molecules.
Pro-Leu-Gly-NH2-melanocyte-stimulating hormone-release-inhibiting factor (MIF-1), Tyr-MIF-1 [Tyr-Pro-Leu-Gly-NH2] conformation, theoretical conformational analysis
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