TABLE 1.
Geometry and fitted phenomenological material properties of the continuum components (helices, loops, membrane) used in the MDeFEM simulation
| Helices
|
Loops
|
Lipid membrane
|
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| Properties (E. coli-MscL) | TM1 | TM2 | Pro43 | S1 | S2 | S3 | TM1-TM2 | TM1-S1 | TM2-S3 | Headgroups | Tails |
| Length (Å) | 40.75 | 45.61 | 5.36 | 14.83 | 9.51 | 21.52 | 103 | 17.0 | 35.0 | Large | Large |
| Thickness or diameter (Å) | 5.0 | 5.0 | 5.0 | 5.0 | 5.0 | 5.0 | — | — | — | 5.0 | 25.0 |
| Young's modulus E (GPa) | 80 | 117 | 15 | 40 | 80 | 30 | — | — | — | 0.124 | 0.064 |
| or spring constant Sl (N/m) | 1.42 | 8.40 | 4.10 | ||||||||
| Poisson's ratio ν | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 | 0.3 | — | — | — | 0.50 | 0.50 |