Table 4. Inventory of interactions between Li_αIA1 (3RLH) and a POPC:POPE bilayer.
Hydrogen bonds and cation-π occupancies are reported as percentages. Residues in bold indicate hydrogen bonds involving the amino acid backbone. All numbers are for interactions with POPC lipids, except those marked with an asterisk (*) which indicates interactions involving the headgroup of POPE lipids. K58 and K59 interact with both POPC and POPE headgroups.
| SSE | Residues | R2 |
|---|---|---|
| Hydrogen bonds (%) | ||
| β2α2 | Y46 | 31.4 |
| G54 | 36.0 | |
| N56 | 48.8* | |
| K58 | 43.0/25.3* | |
| K59 | 39.0/41.0* | |
| Y60 | 20.0 | |
| cation-π interactions (%) | ||
| β2α2 | Y44 | 41.3 |
| Y46 | 47.0 | |
| Y60 | 92.0 | |
| β3α3 | Y98 | 20.2 |