Table 1.
Overview of MD simulations
| System | Label | tsim (ns) | Slowest speed (nm/ns) | Size (#atoms) | Size (nm3) |
|---|---|---|---|---|---|
| Linear CDH1 | S1a-f | 158.1 | 0.5 | 321,547 | 54.9 × 7.5 × 8.2 |
| Diagonal CDH1 | S2a-e | 151.3 | 0.5 | 2,868,694 | 43.9 × 22.7 × 29.4 |
| DSG2-DSG2 | S3a-d | 219.2 | 0.1 | 429,545 | 59.9 × 9.0 × 8.3 |
| DSG2-DSC1 | S4a-d | 251.0 | 0.1 | 558,418 | 61.2 × 9.6 × 9.9 |
| DSC1-DSC1 | S5a-d | 207.0 | 0.1 | 365,669 | 60.9 × 8.7 × 7.3 |
| PCDHα7 | S6a-d | 172.5 | 0.1 | 500,917 | 54.0 × 10.0 × 9.6 |
| PCDHβ6 | S7a-d | 221.6 | 0.1 | 394,722 | 43.4 × 10.0 × 9.5 |
| PCDHγB3 | S8a-d | 234.1 | 0.1 | 335,584 | 50.0 × 8.4 × 8.4 |
| PCDHβ6-A | S9a-b | 121.2 | – | 102,143 | 22.2 × 8.2 × 6.3 |
Labels indicate the system and protein used. Initial size of the systems is indicated in the last column.