Table 3:
Summary of immediate structural consequences of mutants and their corresponding experimental folding free energy change. NC: No change, (−): decrease. Also, buried (Solvent Accessible Surface Area, SASA, %SASA<10) wild-type residues are marked in parenthesis under the SASA column (all others are exposed). Highlighted areas indicate the most pronounced structural effects in structure and folding free energy. For each mutation, two rows are provided when the mutational effects for 1QK9 (top row) and 3C2I (bottom row) are different.
| Mutation | Δ(H-Bond) | Δ(Salt Bridge) | Δ(SASA) (%) | ΔΔG(kcal/mol) |
|---|---|---|---|---|
| T158M | NC (2 lost, 2 new) |
NC | NC | 0.09 |
| R133C | 3 lost | 1 lost | NC −10 |
0.29 |
| R106W | 4 lost, 3 new | 2 lost | NC (buried) | −0.10 |
| P152R | 1 lost, 3 new | NC 1 lost |
NC | 1.65 |
| A140V | NC | NC | 11 NC |
−0.67 |
| S134C | NC | NC | 22 NC |
1.32 |
| R106Q | 4 lost, 3 new | 2 lost 3 lost |
NC | 0.13 |
| D156E | NC | 1 lost, 1 new 2 lost |
11 NC |
0.92 |
| R133H | 3 lost, 1 new | 1 lost NC |
NC −22 |
0.39 |
| L100V | NC | NC | −10 NC |
1.28 |
| F155S | NC (2 lost, 1 new) |
1 lost, 1 new 2 lost |
28 (buried) NC (buried) |
0.41 |
| T158A | NC | NC 1 lost |
−11 −13 |
0.43 |
| R111G | 3 lost, 1 new | 1 lost 2 lost |
NC | −0.54 |