Table 3. Five-State Results for Trialanine with Amber99SB Force Field and TIP3P Water with Both MD Prior and Random Coil Prior.
| Amber99SB & TIP3P | Y | αL | α | β | PII | χ2 | |
|---|---|---|---|---|---|---|---|
| MD Prior | Winitial(σ) | 0.024(20) | 1.3(20) | 9.8(20) | 31.7(20) | 57.2(20) | 9.46 |
| Wbayesian(σ) | 3.2(2.6) | 3.5(2.7) | 5.5(4.1) | 2.0(1.8) | 85.8(4.9) | 2.10 | |
| RC Prior | Winitial(σ) | 20.0(20) | 20.0(20) | 20.0(20) | 20.0(20) | 20.0(20) | 20.78 |
| Wbayesian(σ) | 4.0(3.0) | 3.9(2.9) | 7.6(5.1) | 2.1(1.9) | 82.4(5.6) | 2.32 | |