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Total energy of native and mutant structures before and after energy minimization.
| Amino acid variants | Total energy before energy minimization (kJ/mol) | Total energy after energy minimization (kJ/mol) |
|---|---|---|
| Native | 13140.137 | −13882.539 |
| S143P | 13392.757 | −13767.374 |
| G258V | 59777.910 | −10727.144 |
| Y414D | 12995.687 | −13918.198 |
