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RMSD (Å) values and total free energy after energy minimization of the wild type and mutated protein models. RMSD calculated by Tm-Align and energy minimization was performed by YASARA force field.
| Mutated models | Energy after minimization (kj/mol) | RMSD (Å) |
|---|---|---|
| Wild Type | −436437.8 | |
| R592H | −393543.3 | 2.59 |
| P361 | −396456.0 | 1.11 |
| G59S | −399615.0 | 1.19 |
| P62S | −405223.0 | 1.14 |
| A276V | −431021.9 | 1.94 |
| L184S | −403094.0 | 1.74 |
| L224P | −402604.0 | 1.57 |
| T595M | −422287.5 | 1.45 |
| I673T | −403967.2 | 1.48 |
