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Decomposition of binding energy on per residue basis on INT-HA under neutral conditions.
| Residue | ΔE vdw (kcal mol−1) | ΔE ele (kcal mol−1) | ΔE sol (kcal mol−1) | ΔE total (kcal mol−1) |
|---|---|---|---|---|
| Val31(HA1) | −1.72 | −0.36 | 0.02 | −2.06 |
| Leu290(HA1) | −0.65 | −0.02 | −0.08 | −0.75 |
| Thr316(HA1) | −0.52 | 0.08 | 0.06 | −0.38 |
| Ile47(HA2) | −0.54 | 0.03 | −0.09 | -0.60 |
| Thr48(HA2) | −0.73 | 0.05 | −0.09 | −0.76 |
| Val51(HA2) | −1.08 | −0.05 | −0.07 | −1.2 |
