Energetics of interaction between the chimeric α-syn34-45/HH peptide and gangliosides.

The energy of interaction (ΔG, in kJ.mol−1) has been determined by molecular docking of α-syn34-45/HH on a minimized dimer of each ganglioside, using Hyperchem and Molegro programs. The contribution of His-13/His-14 to the binding reaction is indicated in the last line of the table. Note that the expected contribution of two residues such as His-13/His-14 to a binding reaction involving equally all residues of a 12-mer peptide is 16.7%.