Table 2.
Position | Base pair | ΔΔGop (kcal/mol)1 | ΔΔGNN (kcal/mol)2 |
---|---|---|---|
3 | C-G | −0.73 | 0 |
4 | G-C | −0.12 | 0 |
5 | C-G | 0.41 | 0 |
6 | A-U/T | −0.11 | −0.5 |
7 | G-C | −1.33 | −1.2 |
8 | G-C | - | - |
9 | C-G | −0.37 | 0.7 |
10 | C-G | 0.25 | 1.2 |
11 | T/U-A | 0.89 | 0.7 |
12 | T/U-A | 1.44 | 0.8 |
13 | C-G | 1.72 | 1.3 |
ΔΔ Gop was calculated from the values reported in Table 1, as ΔΔGop = ΔGop(Hybrid I) – ΔGop(Hybrid II).
ΔΔGNN was calculated as ΔΔGNN = ΔGNN(Hybrid I) – ΔGNN(Hybrid II).
The ΔGNN value for each base pair was calculated as the sum of the NN free energies for the base pair of interest and the two base pairs adjacent to it (35).