Table 4.
Electrostatic interaction energies in step 2
| Interaction | Electrostatic energy (kcal mol-1) |
|---|---|
| Asp102(−) and oxyanion site | +6.17 |
| Asp102(−) and His57(+) | −20.65 |
| His57(+) and oxyanion site | −18.21 |
| His57(+) and oxyanion site in mutation D102A | −18.05 |
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