Table 3.
Γ optimality score for catalytic versus noncatalytic residues
| Γ threshold (kcal/mol) |
Catalytic residuesa | Other residuesa | ||||
|---|---|---|---|---|---|---|
| All (N = 3227) |
Core (N = 1784) |
Surface (N = 1443) |
All (N = 3.7 105) |
Core (N = 1.6 105) |
Surface (N = 2.1 105) |
|
| Γ < 0.0 | 50.7% | 52.6% | 48.4% | 38.2% | 27.3% | 46.3% |
| Γ < -0.25 | 39.4% | 43.5% | 34.4% | 26.9% | 21.1% | 31.2% |
| Γ < -0.5 | 33.6% | 38.5% | 27.6% | 21.3% | 18.2% | 23.7% |
| Γ < -1.0 | 27.7% | 33.5% | 20.7% | 15.0% | 14.4% | 15.6% |
| Γ < -2.0 | 20.1% | 26.3% | 12.7% | 8.8% | 9.9% | 8.1% |
| Γ < -3.0 | 15.1% | 21.1% | 7.8% | 5.5% | 7.1% | 4.5% |
| Γ < -5.0 | 9.2% | 14.0% | 3.4% | 2.4% | 3.9% | 1.5% |
| Γ < -7.5 | 5.1% | 8.2% | 1.4% | 0.9% | 1.9% | 0.4% |
| Γ < -10.0 | 2.5% | 4.4% | 0.4% | 0.4% | 1.0% | 0.1% |
a For each subset of our database, the fraction of residues whose optimality score Γ is lower than a given threshold is reported.