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Total energy of native and mutant structures after energy minimization.
| Amino acid variants | Total energy after minimization (kJ/mol) | Electrostatic constraint |
|---|---|---|
| Native | − 6807.950 | − 4973.34 |
| P84L | − 8366.239 | − 5316.41 |
| A94T | − 8601.871 | − 5441.50 |
Total energy and electrostatic constraint were found to be negative.
