Table 3.
RMSD and total energy of modeled structure and its mutant forms.
| Total energy (Kcal/mol) | RMSD (Å) | |
|---|---|---|
| Homology modeled structure | −10003.979 | — |
| Mutant model (E139V) | −9997.772 | 0.06 |
| Mutant model (E150G) | −9576.393 | 2.83 |
| Mutant model (E189K) | −9788.449 | 0.42 |
| Mutant model (K164Q) | −10173.771 | 0.00 |
| Mutant model (P102Q) | −10191.791 | 0.00 |
| Mutant model (P102R) | −10272.199 | 0.00 |
| Mutant model (P102T) | −9601.084 | 2.35 |
| Mutant model (R50C) | −9923.915 | 0.12 |
| Mutant model (R132S) | −9537.828 | 2.45 |
| Mutant model (R152Q) | −9995.500 | 0.11 |
| Mutant model (R154S) | −9961.830 | 0.09 |
| Mutant model (R176C) | −9743.661 | 0.41 |
Note: nsSNPs which show highest energy and RMSD values are highlighted as bold.