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Percentage of residues in LasR, LasR–bakuchiol, RhlR, and RhlR–bakuchiol that participated in average structure formation during 100 ns MD simulations*.
| Percentage of protein secondary structure (SS %) | ||||||||
|---|---|---|---|---|---|---|---|---|
| Protein type | Structure* | Coil | β-sheet | β -bridge | Bend | Turn | α-helix | 310-helix |
| LasR | 67 | 18 | 16 | 0 | 13 | 11 | 39 | 2 |
| LasR-bakuchiol | 73 | 16 | 18 | 0 | 9 | 7 | 49 | 1 |
| RhlR | 66 | 19 | 14 | 1 | 14 | 9 | 42 | 1 |
| Rh1R-bakuchiol | 68 | 18 | 13 | 1 | 14 | 11 | 44 | 0 |
Structure = α-helix + β-sheet + β-bridge + Turn.
