Table 2.
Comparison between experimental thermodynamic parameters measured in 20% PEG 200 and predicted parameters using either the standard or derived 20% PEG 200 nearest neighbor parameters.
| Duplexa | Length | FGC | Predicted Tm in H2Ob (°C) | T m in PEG (°C) | ΔTmc (°C) | Predicted ΔG°37 in H2Ob (kcal/mol) | ΔG°37 in PEG (kcal/mol) | ΔΔG°37c (kcal/mol) | PEG NN ΔG°37d (kcal/mol) | ΔΔG°37e (kcal/mol) |
|---|---|---|---|---|---|---|---|---|---|---|
| 5′-UCAUGA-3′ | 6 | 0.33 | 25.5 | 22.9 | -2.6 | -4.60 | -3.00 | 1.60 | -3.26 | 0.26 |
| 5′-ACUGCG-3′ | 6 | 0.33 | 44.2 | 38.1 | -6.1 | -7.67 | -6.73 | 0.94 | -6.76 | 0.03 |
| 5′-AUGGAC-3′ | 6 | 0.50 | 36.9 | 33.2 | -3.7 | -6.52 | -5.94 | 0.58 | -5.91 | -0.03 |
| 5′-GCGAUA-3′ | 6 | 0.50 | 33.9 | 30.0 | -3.9 | -6.02 | -5.32 | 0.70 | -5.30 | -0.02 |
| 5′-GCUAUG-3′ | 6 | 0.50 | 31.8 | 30.0 | -1.8 | -5.95 | -5.18 | 0.77 | -5.25 | 0.07 |
| 5′-ACCGGU-3′ | 6 | 0.67 | 53.7 | 45.6 | -8.1 | -7.94 | -7.12 | 0.82 | -7.16 | 0.04 |
| 5′-AGCGCU-3′ | 6 | 0.67 | 53.5 | 43.6 | -9.9 | -7.94 | -6.80 | 1.14 | -6.74 | -0.06 |
| 5′-CACGUG-3′ | 6 | 0.67 | 42.4 | 37.8 | -4.6 | -6.54 | -5.81 | 0.73 | -5.42 | -0.39 |
| 5′-CAGCUG-3′ | 6 | 0.67 | 46.6 | 38.0 | -8.6 | -7.28 | -5.85 | 1.43 | -6.03 | 0.18 |
| 5′-CCAUGG-3′ | 6 | 0.67 | 46.6 | 41.4 | -5.2 | -7.32 | -6.52 | 0.80 | -6.30 | -0.22 |
| 5′-CCUAGG-3′ | 6 | 0.67 | 48.1 | 44.2 | -3.9 | -7.49 | -6.92 | 0.57 | -6.79 | -0.13 |
| 5′-CUGCAG-3′ | 6 | 0.67 | 46.6 | 40.0 | -6.6 | -7.28 | -6.19 | 1.09 | -6.03 | -0.16 |
| 5′-GACGUC-3′ | 6 | 0.67 | 45.1 | 42.1 | -3.0 | -7.02 | -6.56 | 0.46 | -6.32 | -0.24 |
| 5′-GAGCUC-3′ | 6 | 0.67 | 49.0 | 43.7 | -5.3 | -7.76 | -6.90 | 0.86 | -6.93 | 0.03 |
| 5′-GCAUGC-3′ | 6 | 0.67 | 48.3 | 43.3 | -5.0 | -7.64 | -6.85 | 0.79 | -6.52 | -0.33 |
| 5′-CGCGCG-3′ | 6 | 1.0 | 58.5 | 49.7 | -8.8 | -9.40 | -7.72 | 1.68 | -8.14 | 0.42 |
| 5′-CGGCCG-3′ | 6 | 1.0 | 62.2 | 54.0 | -8.2 | -10.14 | -8.49 | 1.65 | -9.17 | 0.68 |
| 5′-GCCGGC-3′ | 6 | 1.0 | 66.6 | 60.1 | -6.5 | -11.20 | -10.23 | 0.97 | -10.42 | 0.19 |
| 5′-GCGCGC-3′ | 6 | 1.0 | 63.1 | 54.8 | -8.3 | -10.46 | -9.03 | 1.43 | -9.39 | 0.36 |
| 5′-UAUAUAUA-3′ | 8 | 0.0 | 25.3 | 21.1 | -4.2 | -3.20 | -2.30 | 0.90 | -2.42 | 0.12 |
| 5′-UAAUAUUA-3′ | 8 | 0.0 | 17.0 | 18.2 | 1.2 | -2.63 | -1.88 | 0.75 | -1.69 | -0.19 |
| 5′-AACUAGUU-3′ | 8 | 0.25 | 43.5 | 38.9 | -4.6 | -6.41 | -6.02 | 0.39 | -5.51 | -0.51 |
| 5′-ACUAUAGU-3′ | 8 | 0.25 | 46.2 | 37.7 | -8.5 | -6.98 | -5.82 | 1.16 | -6.24 | 0.42 |
| 5′-AGAUAUCU-3′ | 8 | 0.25 | 45.6 | 37.2 | -8.4 | -6.97 | -5.72 | 1.25 | -6.01 | 0.29 |
| 5′-GAUAUAUC-3′ | 8 | 0.25 | 39.4 | 36.1 | -3.3 | -6.14 | -5.48 | 0.66 | -5.52 | 0.04 |
| 5′-GAAUAUUC-3′ | 8 | 0.25 | 36.6 | 32.6 | -4.0 | -5.57 | -4.72 | 0.85 | -4.79 | 0.07 |
| 5′-AACCGGUU-3′ | 8 | 0.50 | 59.8 | 54.1 | -5.7 | -9.80 | -8.98 | 0.82 | -8.92 | -0.06 |
| 5′-ACUGCAGU-3′ | 8 | 0.50 | 63.2 | 52.1 | -11.1 | -10.86 | -9.19 | 1.67 | -9.65 | 0.46 |
| 5′-GCAAUUGC-3′ | 8 | 0.50 | 55.0 | 46.9 | -8.1 | -9.50 | -8.09 | 1.41 | -8.28 | 0.19 |
| 5′-GAACGUUC-3′ | 8 | 0.50 | 52.5 | 46.0 | -6.5 | -8.88 | -7.76 | 1.12 | -8.08 | 0.32 |
| 5′-AGCGCGCU-3′ | 8 | 0.75 | 74.2 | 64.7 | -9.5 | -13.72 | -12.45 | 1.27 | -12.37 | -0.08 |
| 5′-AGCCGGCU-3′ | 8 | 0.75 | 77.0 | 69.7 | -7.3 | -14.46 | -13.86 | 0.60 | -13.40 | -0.46 |
| 5′-GCGAUCGC-3′ | 8 | 0.75 | 67.1 | 60.0 | -7.1 | -12.84 | -12.38 | 0.46 | -11.80 | -0.58 |
| 5′-GACCGGUC-3′ | 8 | 0.75 | 70.3 | 64.8 | -5.5 | -13.54 | -12.93 | 0.61 | -12.98 | 0.05 |
| 5′-UUAUCGAUAA-3′f | 10 | 0.20 | 49.0 | 43.4 | -5.6 | -9.21 | -6.94 | 2.27 | -7.24 | 0.30 |
| 5′-UAUCGAUA-3′f | 8 | 0.25 | 41.4 | 37.7 | -3.7 | -7.10 | -5.83 | 1.27 | -5.48 | -0.35 |
| 5′-AGCGCU-3′f | 6 | 0.67 | 51.6 | 42.6 | -9.0 | -7.94 | -6.60 | 1.34 | -6.74 | 0.14 |
| 5′-CGCGCG-3′f | 6 | 1.0 | 58.5 | 50.9 | -7.6 | -9.40 | -8.55 | 0.85 | -8.14 | -0.41 |
| Average | -6.0 | 1.02 | 0.23g |
aAll listed strands are paired with their Watson–Crick complement.
bValues were predicted using the standard nearest neighbor model (7).
cDifference between values predicted using the standard nearest neighbor model and experimental values for duplexes in 20% PEG 200 (7).
dΔG°37 values predicted using the derived parameters for a 20% PEG 200 solution.
eDifference between experimental ΔG°37 values in 20% PEG 200 and values predicted by the derived model for 20% PEG 200.
fThermodynamic data for these strands are from (20).
gAverage of the absolute value of each ΔG°37 value.