Table 1. The average correlation coefficients between computed mean square fluctuations and experimental B-factors for four different resolution levels of coarse-graining as a function of the cutoff distance.
Cutoff (Å) | Residue Level | Atomic Level | Proton Level | Solvent Level |
---|---|---|---|---|
1 | -- | -- | -- | -- |
2 | -- | 0.17 | 0.37 | 0.27 |
3 | -- | 0.46 | 0.59 | 0.51 |
4 | 0.17 | 0.61 | 0.58 | 0.42 |
5 | 0.38 | 0.59 | 0.59 | 0.48 |
6 | 0.38 | 0.57 | 0.59 | 0.52 |
7 | 0.51 | 0.60 | 0.60 | 0.56 |
8 | 0.55 | 0.60 | 0.61 | 0.56 |
9 | 0.52 | 0.60 | 0.61 | 0.57 |
10 | 0.56 | 0.60 | 0.60 | 0.58 |
11 | 0.56 | 0.61 | 0.60 | 0.59 |
12 | 0.54 | 0.60 | 0.60 | 0.59 |
13 | 0.55 | 0.59 | 0.59 | 0.59 |
14 | 0.55 | 0.58 | 0.59 | 0.60 |
15 | 0.54 | 0.57 | 0.58 | 0.59 |