Table 7. r(UUUU)a.
NMR | parmbsc0 | parm99χ_Yil | ff10 | parmTor | |
---|---|---|---|---|---|
1–2 stack | none | 5.5% | 15.7% | 13.8% | 21.0% |
2–3 stack | none | 6.3% | 22.1% | 12.3% | 20.6% |
3–4 stack | none | 4.5% | 9.1% | 8.3% | 21.4% |
1–3 stack | none | 50.6% | 36.1% | 33.2% | 15.4% |
1–4 stack | none | 1.8% | 2.3% | 2.9% | 7.2% |
2–4 stack | none | 30.8% | 11.5% | 12.8% | 7.2% |
1–3–2 intercalation | none | 0.0% | 3.1% | 0.3% | 3.8% |
3–1–4 intercalation | none | 0.1% | 4.2% | 3.3% | 1.5% |
random coil | possible | 27.6% | 21.6% | 30.2% | 28.1% |
β RMSD (Hz) | T | 0.1 | 0.1 | 0.1 | 6.4 |
ϵ RMSD (Hz) | cf. Table 2 | 1.3 | 1.2 | 1.5 | 2.2 |
γ RMSD (Hz) | cf. Table 2 | 0.9 | 1.4 | 0.7 | 0.5 |
suger pucker RMSD (Hz) | cf. Table 2 | 2.3 | 0.6 | 1.2 | 0.7 |
Cf. Table 6.