Table 3.
Percent Variation within the m Best Parameter Sets
| usol (kcal/mol) | vnat (kcal/mol) | δnat (unitless) | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Mutation | PDBID | m=4 | m=8 | m=16 | m=4 | m=8 | m=16 | m=4 | m=8 | m=16 |
| Wild-type | 1LZ1 | 1.9 | 1.3 | 1.8 | 20.9 | 17.3 | 23.2 | 12.7 | 10.4 | 14.1 |
| Q58G | 1B7R | 0.5 | 0.6 | 1.4 | 5.3 | 5.5 | 9.9 | 5.6 | 6.3 | 10.4 |
| K1A | 1C45 | 2.1 | 1.5 | 4.1 | 11.3 | 9.2 | 12.0 | 1.7 | 1.5 | 10.9 |
| P71G | 1LHI | 1.3 | 1.4 | 1.9 | 3.8 | 3.9 | 6.0 | 6.8 | 6.6 | 7.9 |
| P103G | 1LHJ | 0.7 | 1.0 | 1.3 | 5.3 | 6.0 | 11.6 | 0.00 | 2.0 | 4.9 |
| I56T | 1OUA | 2.1 | 2.8 | 5.0 | 9.7 | 8.4 | 10.4 | 12.9 | 13.8 | 15.3 |
| V100A | 1OUB | 0.9 | 2.9 | 3.1 | 2.7 | 6.5 | 8.4 | 6.2 | 12.5 | 15.7 |
| V2A | 1OUG | 0.3 | 2.2 | 2.7 | 2.8 | 3.7 | 9.2 | 2.1 | 11.9 | 13.7 |
| V74A | 1OUH | 0.7 | 1.5 | 1.6 | 2.2 | 4.7 | 7.6 | 2.6 | 6.6 | 9.1 |
| Y124F | 1WQM | 3.1 | 3.2 | 3.5 | 11.9 | 12.9 | 10.4 | 18.6 | 17.3 | 13.5 |
| Y38F | 1WQO | 2.9 | 2.2 | 3.1 | 7.7 | 8.8 | 19.6 | 14.3 | 10.8 | 16.0 |
| Y45F | 1WQP | 0.3 | 1.5 | 1.5 | 4.9 | 4.8 | 6.8 | 5.5 | 7.7 | 8.5 |
| Y54F | 1WQQ | 1.6 | 1.3 | 1.3 | 4.6 | 3.8 | 8.5 | 3.1 | 5.7 | 11.5 |
| Y63F | 1WQR | 0.8 | 0.8 | 1.2 | 4.0 | 4.8 | 5.2 | 1.6 | 2.4 | 3.7 |
| I59S | 2MEG | 1.6 | 2.6 | 3.6 | 5.0 | 4.7 | 7.8 | 4.4 | 8.9 | 9.9 |