Table 5. Eight-State Results for Trivaline with Amber99SB Force Field and TIP3P Water with MD Prior and Random Coil Prior.
| αL 1 | αL 2 | α |
β |
PII |
||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Amber 99SB & TIP3P | 1 | 2 | 3 | 4 | 5 | 6 | 7 | 8 | χ2 | |
| MD Prior | Winitial(σ) | 0.1(20) | 0.1(20) | 0.2(20) | 16.2(20) | 5.5(20) | 25.6(20) | 8.2(20) | 44.1(20) | 3.13 |
| Wbayesian(σ) | 6.0(4.1) | 6.1(4.1) | 2.9(2.4) | 19.2(7.6) | 2.7(2.2) | 8.8(5.5) | 3.4(2.7) | 51.1(7.1) | 1.99 | |
| RC Prior | Winitial(σ) | 12.5(20) | 12.5(20) | 12.5(20) | 12.5(20) | 12.5(20) | 12.5(20) | 12.5(20) | 12.5(20) | 7.13 |
| Wbayesian(σ) | 6.4(4.3) | 6.5(4.3) | 2.9(2.5) | 20.8(8) | 2.8(2.4) | 8.9(5.6) | 4(3.1) | 47.7(7.2) | 2.05 | |