TABLE 5.
Cavity analysis using CASTP
| Time | Cavity | Area (nm2) | Vol (nm3) | N openings |
|---|---|---|---|---|
| 0 | Channel | 2785.152 | 2438.7 | 3 |
| 0 | External | 190.409 | 69.3 | 2 |
| 0 | Side | 169.298 | 84.7 | 1 |
| 0 | Charged ext. (Walker A) | 131.336 | 45.1 | 2 |
| 0 | Charged int. (Walker B) | 71.386 | 26.3 | 0 |
| 100 | Channel | 5372.912 | 6027.3 | 15 |
| 100 | Internal | 93.605 | 58.0 | 2 |
| 100 | Charged | 164.204 | 50.2 | 2 |
| 100 | Side 1 | 78.299 | 22.0 | 2 |
| 100 | Side 2 | 40.645 | 5.1 | 0 |