Table 2. Results of docking trials.
| Target | Model | Docking spheres† | Copies placed‡ | LLG score§ | MapCC§ | Run time¶ (s) |
|---|---|---|---|---|---|---|
| GABA receptor | 4cof chain A (291–447; membrane domain) | 1 | 5/5 | 6070–5830 | 0.765–0.762 | 485 |
| AF model of megabody | 6 | 2/5 | 409, 355 | 0.367–0.363 | 1917 | |
| β-Galactosidase | 1jz7 chain A | 1 | 4/4 | 25424–24628 | 0.823–0.822 | 711 |
| 5a1a chain A | 1 | 4/4 | 25600–24827 | 0.827–0.818 | 726 | |
| 5a1a chain A β-barrel domain (626–726) | 5 | 4/4 | 1730–1729 | 0.789–0.789 | 1479 | |
| Apoferritin | 5xb1 chain A | 1 | 24/24 | 2992–2988 | 0.848–0.847 | 905 |
| 2cei (5–159) | 1 | 24/24 | 2078–2072 | 0.739–0.738 | 819 | |
| Respiratory complex | 3rko chains AJKLMN (membrane domain) | 1 | 1/1 | 651 | 0.347 | 522 |
| 3rko chain N | 4 | 1/1 | 601 | 0.464 | 424 | |
| 3rko chain M | 4 | 1/1 (1) | 257 (185) | 0.406 (0.279) | 733 | |
| 3rko chain L (1–546) | 4 | 0/1 (2) | (135, 84) | (0.280, 0.265) | 616 | |
| 7nyu chain M | 4 | 1/1 (1) | 213 (148) | 0.395 (0.273) | 771 | |
| MutS | 6i5f chain A (12–116) | 214 | 0/2 (5) | (49–37) | (0.378–0.215) | 1024 |
| 6i5f chain A (566–799) | 26 | 2/2 | 213, 207 | 0.628, 0.614 | 221 | |
| CFTR ΔF508 mutant | AF (4–263, 282–379, 844–871, 933–1170; membrane domain) | 1 | 1/1 | 704 | 0.645 | 122 |
| AF (264–281, 1204–1429) | 10 | 1/1 (1) | 297 (188) | 0.642 (0.549) | 806 | |
| AF (391–400, 440–633) | 18 | 1/1 (1) | 220 (134) | 0.647 (0.533) | 673 | |
| Get3, closed | 7spz | 1 | 2/2 | 439, 300 | 0.696, 0.643 | 32 |
Number of subvolume spheres used for docking search; 1 for a single sphere covering the entire reconstruction.
Number of copies placed correctly (or incorrectly in parentheses).
MapCC is the map correlation coefficient between the weighted map and a map computed from the model. Scores for incorrectly placed copies are in parentheses.
Linux workstation with a 3.8 GHz Intel Core i7-9800X CPU with eight cores but running primarily on a single thread.