Table 2. Solvation Parameters σgSASA of the Three Atom Groups Derived by Partitioning via Dynamic Programming, As Shown in Figure 7a.
| group |
atom |
solvation
parameter |
||||
|---|---|---|---|---|---|---|
| id. | description | id. | type | σgSASA (iqr) (kJ mol–1 nm–2) | sdbs | n(σgSASA) |
| 1 | charged | 2, 7, 9 | OM, NL, NZ | –23.3 (19.0) | 0.1 | 38325 [507350] |
| 2 | polar | 1, 3, 6, 8 | O, OA, NT, NR | –7.3 (5.9) | 0.05 | 20090 [1493950] |
| 3 | hydrophobic | 12, 13, 14, 16 | CH1, CH2, CH3, CR1 | 4.1 (3.6) | 0.01 | 143152 [4191050] |
σgSASA, median value; (iqr): interquartile range; sdbs, standard deviation of the property in 1000 bootstrap (with replacement) samples; n: number of data points. See Table 1 for a description of the atom types.