Table 5. Inventory of interactions between R44Y/S60Y St_βIB1 and a POPC bilayer.
Hydrophobic contacts are given as average number of contacts per frame. Hydrogen bonds and cation-π occupancies are shown in percentages. Residues in bold indicate hydrogen bonds involving the amino acid backbone.
| SSE | Residues | R1 | R2 |
|---|---|---|---|
| Hydrogen bonds (%) | |||
| β2α2 | K38 | 39.1 | 68.5 |
| Y44 | 10.5 | 20.8 | |
| Y46 | 60.0 | 54.3 | |
| C51 | 53.3 | 67.3 | |
| S56 | 46.7 | 58.3 | |
| C57 | 20.6 | 10.3 | |
| Y60 | 20.0 | 35.8 | |
| Hydrophobic contacts (avg. contact per frame) | |||
| β2α2 | V49 | 3.0 | 4.3 |
| P50 | 2.5 | 1.9 | |
| cation-π interactions (%) | |||
| β2α2 | Y44 | 43.6 | 39.9 |
| Y46 | 35.6 | 40.2 | |
| Y60 | 44.8 | 20.3 | |