The simulation of the poly-leucine undecamer started with the peptide in a disordered state in water. In the following images, the nonpolar side-chains of the leucines are yellow, backbone carbons are gray, backbone nitrogens are green, backbone and water oxygens are white, water hydrogens are red and the methylene and methyl groups of hexane are blue. Click on the image to see a larger version.

The initially disordered poly-leucine undecamer near the water-hexane interface.

After 46 ns the peptide has partitioned into the nonpolar hexane and folded into an alpha-helix.