Table 3. Intramolecular Interactions between the Side Chain of Residue 3 in the Glycopeptide of Different Complexes with Other Parts of the Glycopeptide.

glycopeptide–PG complex	ΔEvdw (kJ/mol)	ΔEele (kJ/mol)	ΔEtot (kJ/mol)
VN-Ala (R = NH2, X = NH)	–17.49 ± 1.02	–79.90 ± 2.82	–97.39 ± 3.00
VN-Lac (R = NH2, X = O)	–15.85 ± 0.65	–74.91 ± 4.82	–90.76 ± 4.86
VD-Ala (R = O–, X = NH)	–10.70 ± 0.20	–183.96 ± 1.26	–194.66 ± 1.28
VD-Lac (R = O–, X = O)	–14.03 ± 0.36	–136.03 ± 4.86	–150.06 ± 4.87