Table 6. Fragment modeling and docking accuracy for 9-residue IDR complexes from ELM.
| Bound PDB ID | First res | Minimum RMSD (Å) | Unbound PDB ID | Minimum RMSD (Å) | |||
|---|---|---|---|---|---|---|---|
| Fragments | All docked | Selected docked | All docked | Selected docked | |||
| 1jsuAB | 25 | 1.8 | 3.5 | 3.5 | 2c5nAB | 3.2 | 3.2 |
| 1jsuAB | 34 | 1.4 | 2.8 | 9.5 | 2c5nAB | 3.2 | 9.2 |
| 1jsuAB | 43 | 0.5 | 1.6 | 1.9 | 2c5nAB | 1.6 | 2.6 |
| 1jsuAB | 52 | 0.6 | 1.6 | 3.1 | 2c5nAB | 3.1 | 3.1 |
| 1o6lA | 4 | 2.1 | 3.9 | 3.9 | 1gzkA | 3.6 | 4.6 |
| 1o6lA | 469 | 2.9 | 5.1 | 5.7 | 1gzkA | 5.5 | 5.5 |
| 1s70A | 1 | 1.3 | 3.5 | 9.1 | 4ut2A | 3.5 | 8.3 |
| 1s70A | 10 | 0.4 | 3.1 | 3.1 | 4ut2A | 2.6 | 2.6 |
| 1s70A | 22 | 2.4 | 3.6 | 7.5 | 4ut2A | 3.3 | 5.8 |
| 1s70A | 31 | 1.6 | 3.8 | 4.1 | 4ut2A | 3.3 | 4.5 |
| 2w84A | 101 | 0.4 | 2.8 | 2.8 | 5aonA | 2.0 | 2.0 |
| Average | 1.4 | 3.2 | 4.9 | 3.2 | 4.7 | ||
First res.: The first amino acid position of the 9-residue long fragments in the protein. Fragments: minimum backbone RMSD of predicted fragments to native. All docked: minimum L-RMSD of all docked fragments (has a lower bound of the fragment RMSD). Selected docked: minimum L-RMSD of top 4,500 fragments by DI score (Z(DFIRE) + Z(ITScorePro)).