Table 1:
Summary of experimental data for each system in the benchmark dataset. Binding ΔΔG values are given in kcal/mol.
| Binding ΔΔG | Number of mutations | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| System | Description | Min | Mean | Max | Range | Neutral | Charged | Core-hopping | Total |
| 1DVF | IgG1-κ D1.3 Fv / E5.2 Fv | 0.34 | 2.15 | 4.74 | 4.40 | 15 | 10 | 0 | 25 |
| 1IAR | Interleukin-4 / Interleukin-4 receptor | −0.58 | 0.88 | 3.75 | 4.33 | 8 | 19 | 0 | 27 |
| 1JRH | mAb A6 / Interferon-γ receptor | −3.79 | 1.39 | 4.91 | 8.70 | 24 | 13 | 1 | 38 |
| 1KTZ | TGF-β3 / TGF-β type II receptor | 0.22 | 1.56 | 4.04 | 3.82 | 10 | 10 | 0 | 20 |
| 1OGA | HLA-A2 + peptide / JM22 T-cell receptor | −0.46 | 0.53 | 1.93 | 2.39 | 19 | 10 | 0 | 29 |
| 1VFB | IgG1-κ D1.3 Fv / HEW Lysozyme | −0.21 | 0.95 | 3.04 | 3.25 | 17 | 9 | 0 | 26 |
| 5EO9 | Dpr6 / DIP-α | −0.91 | 0.75 | 2.15 | 3.06 | 4 | 4 | 0 | 8 |
| 6M0J | SARS-CoV-2 RBD / human ACE2 | −0.75 | 0.05 | 0.62 | 1.37 | 11 | 11 | 0 | 22 |
| 6NRQ | Dpr10/DIP-α | −1.39 | 0.80 | 2.18 | 3.57 | 8 | 5 | 0 | 13 |
| All | −3.79 | 1.05 | 4.91 | 8.7 | 116 | 91 | 1 | 208 | |