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. 2023 Mar 15;79(Pt 4):281–289. doi: 10.1107/S2059798323001602

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.