Searching low-energy conformations of two elastin sequences

الأصل · EN

The three-dimensional structures of two common repeat motifs Val¹-Pro²-Gly³-Val⁴-Gly⁵ and Val¹-Gly²-Val³-Pro⁴-Gly⁵-Val⁶-Gly⁷-Val⁸-Pro⁹ of tropoelastin are investigated by using the multicanonical simulation procedure. By minimizing the energy structures along the trajectory the thermodynamically most stable low-energy microstates of the molecule are determined. The structural predictions are in good agreement with X-ray diffraction experiments.