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The van der Waals interaction energies for ALA approaching PHE with its amide N-H aligned with the ring normal. On the axis is the distance from the ALA nitrogen to the PHE ring center. VdW interaction energies for each distance were calculated by subtracting the VdW energies of ALA and PHE in isolation from the energies calculated at that distance from one another. All calculations were performed in MoSART using the AMBER99 force field.
