Table 2.
Summary of Performed Simulations for SybII TMD Oligomerization
| Simulation | Peptide Conformation | Duration (μs) |
|---|---|---|
| CG Simulations | ||
| WT-trimer | 3 monomers | 518 × 5 |
| WWAA-trimer | 3 monomers | 487 × 5 |
| PolyL-trimer | 3 monomers | 520 × 5 |
| WT-tetramer | 4 monomers | 517 × 5 |
| WWAA-tetramer | 4 monomers | 492 × 5 |
| WT-pentamer | 1 pentamer | 5 |
| WT-hexamer | 1 hexamer | 5 |
| WT-heptamer | 1 heptamer | 5 |
| WT-octamer | 1 octamer | 5 |
| AA Simulations | ||
| WT-trimer | 1 compact trimer | 0.3 |
| WT-trimer | 1 linear trimer | 0.3 |
| WWAA-trimer | 1 compact trimer | 0.2 |
| WWAA-trimer | 1 linear trimer | 0.2 |
| PolyL-trimer | 1 compact trimer | 0.2 |
| PolyL-trimer | 1 linear trimer | 0.2 |
| WT-tetramer | 1 tetramer | 0.2 |
| WWAA-tetramer | 1 tetramer | 0.2 |