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Fitted parameters for the nonbonded interactions between helices and between helix and lipid for E. coli-MscL used in MDeFEM simulations
| Interaction pair | Lipid -TM1 | Lipid -TM2 | Lipid -S1 | TM1 -TM1 | TM1 -TM2 | S1 -TM1 | S1 -TM2 | S1 -S1 | S3 -S3 |
|---|---|---|---|---|---|---|---|---|---|
| d0 (Å) | 5.5 | 5.5 | 7.0 | 1.5 | 5.0 | 4.0 | 5.5 | 4.0 | 7.0 |
| ψ (GPa) | 3.2 | 3.2 | 0.05 | 5.5 | 3.4 | 3.0 | 0.8 | 9.0 | 6.0 |
| m | 9 | 7 | 2 | 2 | 9 | 8 | 10 | 9 | 11 |
| n | 3 | 3 | 1 | 1 | 3 | 3 | 3 | 4 | 6 |
