Table 3.
In silico prediction of Phl p 6 destabilizing mutations using MAESTRO algorithm.
| Surface exposed | Buried | ||||
|---|---|---|---|---|---|
| Mutant | ΔΔG_pred | c_pred | Mutant | ΔΔG_pred | c_pred |
| L89P | 2.0159 | 0.875 | F91G | 5.1619 | 0.726 |
| A17P | 1.9855 | 0.831 | L64G | 5.0143 | 0.757 |
| L89G | 1.9812 | 0.864 | F19G | 4.7531 | 0.727 |
| A41D | 1.9513 | 0.864 | F87G | 4.6827 | 0.735 |
| D82S | 1.8896 | 0.889 | L60G | 4.6052 | 0.758 |
| A41P | 1.7979 | 0.831 | F91D | 4.5717 | 0.748 |
| D82P | 1.7622 | 0.884 | L64E | 4.5235 | 0.807 |
| A41G | 1.7168 | 0.885 | L11D | 4.4678 | 0.772 |
| A41N | 1.6797 | 0.855 | F38G | 4.4658 | 0.743 |
| A24P | 1.6424 | 0.820 | F42G | 4.4645 | 0.733 |
Destabilizing mutations selected for expression and further analysis are marked in green. ΔΔG_pred, predicted change in free energy [kcal/mol]. Positive values indicate a destabilizing mutation. c_pred, confidence estimation (0–1) of the prediction. 1, high confidence.