Calculated potential energy of interaction (ΔE) and free energy of hydration (ΔG) for the interaction of Hz with CD9
| Compounds | Full-length protein CD9 (6K4J) | LEL fragment of CD9 (6Z1V) | ||
|---|---|---|---|---|
| ΔE (kcal/mol) | ΔG (kcal/mol) | ΔE (kcal/mol) | ΔG (kcal/mol) | |
| Hz-A | –37.00 | –16.90 | –36.00 | –18.30 |
| Hz-B | –39.20 | –19.00 | –43.30 | –18.20 |