Table 8. Top 10 RMSD values for GroES-GroEL with experimental data, after refinement.
| ligand RMSD | |||||||||
| Overall RMSD | intra-ring | inter-ring | |||||||
| GroEL | GroEL | GroEL | GroEL | cis- | cis- | ||||
| rank | All | GroES | Cis | trans | GroES | cis | trans | GroES | trans |
| 1 | 4.6 | 7.5 | 3.5 | 4.8 | 2.9 | 1.6 | 1.0 | 6.2 | 3.7 |
| 2 | 3.8 | 7.5 | 3.4 | 3.0 | 2.2 | 1.4 | 3.0 | 8.0 | 2.4 |
| 3 | 3.5 | 7.3 | 2.0 | 3.3 | 3.0 | 1.0 | 2.7 | 5.7 | 4.7 |
| 4 | 4.2 | 7.5 | 2.5 | 4.5 | 1.8 | 3.3 | 1.2 | 6.7 | 5.9 |
| 5 | 4.1 | 7.5 | 3.8 | 3.4 | 4.0 | 1.2 | 3.7 | 6.9 | 2.9 |
| 6 | 5.9 | 15.3 | 2.8 | 4.9 | 19.3 | 0.7 | 1.1 | 14.8 | 5.0 |
| 7 | 8.1 | 24.2 | 2.8 | 4.9 | 32.9 | 1.1 | 1.0 | 24.0 | 4.6 |
| 8 | 7.6 | 24.4 | 1.8 | 3.0 | 32.6 | 1.4 | 2.9 | 23.1 | 3.3 |
| 9 | 5.8 | 13.9 | 3.7 | 4.8 | 20.7 | 1.7 | 1.0 | 14.8 | 4.4 |
| 10 | 2.8 | 7.5 | 2.0 | 1.5 | 1.9 | 2.0 | 1.4 | 8.4 | 3.0 |
RMSD and ligand RMSD values of the top 10 models for the full GroES-GroEL complex (in Å), compared to the reference structure; models were fitted (energy-minimized) using a 23.5 Å experimental density map that was downsampled to 44.8 Å; after that, the models were ranked by gradient matching using the full density map. Then, the top 100 models were subjected to ring recombination; the resulting combinations were again ranked by gradient matching. This recombination procedure was then repeated. Finally, structures were refined using the ATTRACT force field, and again ranked by gradient matching.