Table 2. Number of total alternate conformations and distinct alternate conformations (different rotamers) as a function of DWD for HEWL (129 residues), thaumatin (207 residues) and CypA (164 residues) at 278 and 100 K.
The slope for a least-squares linear fit (number of residues in distinct conformations/MGy) and the p value are given for each protein and temperature.
| Protein | Temperature (K) | DWD (MGy) | Total # conformers | Distinct # |
|---|---|---|---|---|
| HEWL | 278 | 0.03 | 78 | 11 |
| 0.06 | 75 | 16 | ||
| 0.08 | 75 | 17 | ||
| 0.11 | 74 | 14 | ||
| 0.14 | 54 | 12 | ||
| 0.17 | 71 | 13 | ||
| 0.20 | 55 | 12 | ||
| 0.22 | 57 | 10 | ||
| 0.25 | 64 | 10 | ||
| 0.28 | 69 | 18 | ||
| Slope = −4.12 | p = 0.74 | |||
| 100 | 1.75 | 85 | 23 | |
| 3.50 | 90 | 24 | ||
| 5.25 | 91 | 23 | ||
| 7.00 | 93 | 29 | ||
| Slope = 0.97 | p = 0.235 | |||
| Thaumatin | 278 | 0.02 | 117 | 28 |
| 0.05 | 109 | 27 | ||
| 0.07 | 126 | 28 | ||
| 0.09 | 114 | 26 | ||
| 0.12 | 96 | 27 | ||
| Slope = −12.07 | p = 0.337 | |||
| 100 | 1.86 | 94 | 22 | |
| 3.72 | 93 | 13 | ||
| 5.58 | 95 | 26 | ||
| 9.30 | 87 | 30 | ||
| Slope = 1.58 | p = 0.309 | |||
| CypA | 278 | 0.02 | 84 | 26 |
| 0.03 | 78 | 25 | ||
| 0.05 | 84 | 28 | ||
| 0.06 | 89 | 29 | ||
| 0.08 | 85 | 29 | ||
| 0.10 | 88 | 28 | ||
| 0.11 | 84 | 31 | ||
| 0.13 | 76 | 30 | ||
| 0.14 | 76 | 20 | ||
| Slope = −2.70 | p = 0.923 | |||
| 100 | 1.11 | 73 | 24 | |
| 2.22 | 66 | 21 | ||
| 3.33 | 73 | 21 | ||
| 4.44 | 70 | 18 | ||
| 5.55 | 69 | 21 | ||
| 6.66 | 63 | 19 | ||
| 7.77 | 66 | 30 | ||
| 8.88 | 69 | 23 | ||
| 9.99 | 65 | 24 | ||
| Slope = 0.38 | p = 0.397 | |||