Table 9. r(GACC)a.
| NMR | parm99 | parmbsc0 | parm99χ_Yil | ff10 | parmTor | |
|---|---|---|---|---|---|---|
| 1–2 stack | present | 42.6% | 55.4% | 51.4% | 35.4% | 17.4% |
| 2–3 stack | present | 33.1% | 27.4% | 68.0% | 68.3% | 76.6% |
| 3–4 stack | present | 11.9% | 11.7% | 47.4% | 31.1% | 13.3% |
| 1–3 stack | none | 19.5% | 12.1% | 5.0% | 12.2% | 3.1% |
| 1–4 stack | none | 4.6% | 4.3% | 9.7% | 21.9% | 17.9% |
| 2–4 stack | none | 17.7% | 13.2% | 7.3% | 8.5% | 3.3% |
| 1–3–2 intercalation | none | 0.1% | 0.1% | 7.7% | 10.7% | 30.1% |
| 3–1–4 intercalation | none | 0.1% | 0.0% | 4.2% | 4.9% | 13.8% |
| random coil | none | 14.9% | 14.0% | 3.3% | 3.2% | 3.7% |
| β RMSD (Hz) | T | 1.0 | 1.2 | 0.4 | 0.6 | 3.3 |
| ϵ RMSD (Hz) | cf. Table 2 | 3.5 | 3.4 | 2.3 | 2.6 | 5.1 |
| γ RMSD (Hz) | cf. Table 2 | 1.4 | 0.9 | 1.1 | 0.8 | 1.3 |
| suger pucker RMSD (Hz) | cf. Table 2 | 3.2 | 2.8 | 0.4 | 1.3 | 1.7 |
Cf. Table 6.