Table 4. Structural characterisation of Oca2 models and template.
| Dali Z-score vs 6wtw | Angle (°) between amphipathic helix and N-terminal side of re-entrant loop (N-terminal) | Angle (°) between amphipathic helix and N-terminal side of re-entrant loop (C-terminal) | Mean pLDDT | ||
|---|---|---|---|---|---|
| Inward facing model | Inward-facing AlphaFold2 model of Oca2 | 7.8 | 32 | 52 | 73.3 |
| Outward-facing templates | Outward-facing template (6wtw) | – | 64 | 15 | – |
| Modeller homology model (based on 6wtw) of outward-facing conformation | 54.8 | 64 | 15 | – | |
| ColabFold models at various MSA depths | 200 sequences | 25.0 | 37 | 36 | 82.9 |
| 60 sequences | 30.9 | 51 | 28 | 73.0 | |
| 30 sequences | 30.0 | 57 | 20 | 72.8 | |
| 15 sequences | 32.9 | 59 | 22 | 70.0 | |
| 10 sequences | 28.3 | 59 | 24 | 66.4 | |
| 5 sequences | 14.0 | 43 | 23 | 57.7 |