Computer study of spatial and electronic structure of the C-terminal pentapeptides of hemokinin-1 molecules

摘要

The comparative conformational analysis of C-terminal pentapeptides of human and rat/mouse hemokinin-1 peptide molecules have been carried out by computer modeling methods. Is showed that these molecules have similar low-energy conformational states with different electronic structure. The energy and geometrical parameters for each of low-energy conformations are obtained. The important stable inter-residue interactions in optimal conformational states of these molecules were revealed.