Table 5.
Interaction energy of hotspot residues considered with acarbose.
| Residues | ΔEbinding | ΔEMM | ΔEpol | ΔEnpol |
|---|---|---|---|---|
| Asp69 | −0.38 | −0.22 | −0.15 | 0 |
| Tyr72 | 0.01 | −0.12 | 0.12 | 0 |
| His112 | 0.07 | 0.05 | 0.02 | 0 |
| Lys156 | 2.87 | −3.94 | 6.85 | −0.08 |
| Tyr158 | −7.61 | −12.26 | 5.46 | −0.88 |
| Phe159 | −4.07 | −4.61 | 0.92 | −0.41 |
| Phe178 | −0.98 | −1.06 | 0.19 | −0.12 |
| Arg213 | 1.39 | 1.62 | −0.21 | 0 |
| Asp215 | −1.40 | −1.06 | −0.35 | 0 |