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. 2020 Feb 7;10:2079. doi: 10.1038/s41598-019-55660-3

Table 1.

The confinement effect in ion liquid (IL) solution.

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.