Table 2.
Energy of formation of RNA duplexes, entropy contributions, and total bend.
| System | MM-PBSA (kcal/mol) | ΔS∞ (cal/mol·K) | Total Bend (°) |
|---|---|---|---|
| wt | −116 ± 10 | 585.4 ± 0.9 | 20 |
| UI | −116 ± 9 | 588.4 ± 1.3 | 19 |
| AI1 | −113 ± 9 | 585.1 ± 1.2 | 21 |
| CI | −117 ± 9 | 586.0 ± 0.2 | 21 |
| AI2 | −116 ± 9 | 583.0 ± 0.3 | 21 |
| GI | −116 ± 9 | 587.1 ± 1.5 | 21 |
| AI3 | −116 ± 9 | 585.1 ± 0.3 | 23 |
| AI4 | −117 ± 9 | 585.0 ± 0.6 | 20 |
| UII | −111 ± 11 | 586.4 ± 0.7 | 21 |
| CII | −113 ± 9 | 596.6 ± 0.8 | 22 |
| GII | −114 ± 8 | 588.6 ± 0.2 | 22 |
| AII | −115 ± 9 | 587.8 ± 0.6 | 22 |
| UII_CII | −107 ± 10 | 602.8 ± 1.7 | 21 |
| UII_CII_AII | −103 ± 11 | 593.6 ± 1.8 | 21 |
MM-PBSA: Molecular mechanics, Poisson–Boltzmann combined with surface area, ΔS∞: Vibrational entropic contributions extrapolated to infinite time, Standard errors represent error of the intercept calculated with the linear regression.