Table 1. Structure prediction results from hybrid experimental data.
The RMSD100 metric is used to quantify model quality. RMSD100: RMSD100 of models ranked by RMSD100 to native model; Score: RMSD100 of models ranked by either BCL score or Rosetta score; Top5%: Averaged RMSD100 over top 5% models ranked by the respective metric. RMSD100_TM: RMSD100 value calculated from TMH regions of the models that ranked by total RMSD100. Score (TM_RMSD): RMSD100 value calculated from TMH regions of the models that ranked by Rosetta score.
| Restraints BCL | RMSD100 | Score | ||||
|---|---|---|---|---|---|---|
|
| ||||||
| Best | Top 5% | Best | Top 5% | |||
| No Restraints | 4.5 | 5.4 | 9.4 | 9.2 | ||
| NMR | 3.1 | 3.8 | 5.1 | 6.1 | ||
| EPR | 3.5 | 4.5 | 8.5 | 7.5 | ||
| EM | 2.9 | 4.8 | 8.3 | 8.1 | ||
| NMR | EPR | 2.7 | 3.7 | 3.6 | 4.0 | |
| NMR | EM | 3.0 | 4.0 | 4.0 | 5.5 | |
| EPR | EM | 1.9 | 4.1 | 8.4 | 7.4 | |
| NMR | EPR | EM | 1.4 | 2.9 | 2.5 | 3.9 |
| Restraints Rosetta | RMSD100 | RMSD100_TM | Score | Score (RMSD100_TM) | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
|
| ||||||||||
| Best | Top 5% | Best | Top 5% | Best | Top 5% | Best | Top 5% | |||
| NMR | 4.0 | 4.4 | 1.7 | 3.0 | 5.3 | 6.4 | 2.1 | 1.8 | ||
| EM | 4.0 | 4.2 | 3.0 | 3.0 | 5.4 | 4.9 | 4.6 | 3.7 | ||
| NMR | EPR | 3.9 | 4.1 | 1.5 | 1.8 | 8.2 | 5.8 | 1.5 | 1.6 | |
| EPR | EM | 3.3 | 3.7 | 1.9 | 2.1 | 4.4 | 4.2 | 2.0 | 2.1 | |
| NMR | EM | 3.3 | 3.5 | 1.6 | 1.3 | 3.8 | 4.1 | 1.1 | 1.1 | |
| NMR | EPR | EM | 2.9 | 3.0 | 1.3 | 1.2 | 3.8 | 3.6 | 1.2 | 1.1 |