Table 1.
IL1 | IL2 | IL3 | Wat1 | Wat2 | Wat3 | |
---|---|---|---|---|---|---|
AC-PCA | 212 | 167 | 173 | 307 | 301 | 268 |
HP-PCA | — | 217 | 203 | 350 | 352 | 341 |
LPH-PCA | 340 | 321 | 333 | 345 | 357 | 354 |
LWPH-PCA | — | 211 | 186 | 354 | 295 | 313 |
The area of distribution of each MD trajectory repeat. The area is counted as the number of grids with population larger than 5% of the largest population grid. Four different methods are considered, including the atom-coordinate-based PCA (AC-PCA), the helical-parameter-based PCA (HP-PCA), the LPH-based PCA (LPH-PCA), and LWPH-based PCA (LWPH-PCA). We have not listed the area for IL1 from HP-PCA and LWPH-PCA, as dynamic transition is observed in these representations and the area cannot be treated as the measurement of degree of conformational fluctuation.