QUANTUM MOLECULAR MODELING OF THE ELASTINIC TETRAPEPTIDE VAL-PRO-GLY-GLY

The free Val-Pro-Gly-Gly tetrapeptide belonging to the Proline-rich se quences of elastin has been studied both theoretically and experimenta lly.The molecular modelisation was carried out using AM1 and ab initio quantum computations while the conformation in solution was ascertain ed by circular dichroism spectroscopy performed on the synthesized tet rapeptide. Experimental and theoretical investigations lead to the con clusion that the most probable structure is constituted by a type II b eta-turn.