Table 3.
Opening force constants and their averages
| Seq 1 | Seq 2 | Seq 3 | Seq 4 | Averages | ||||||
|---|---|---|---|---|---|---|---|---|---|---|
| d(A·T) | 0.017 | 0.015 | 0.017 | 0.016 | 0.020 | 0.019 | 0.022 | 0.022 | 0.019 | 0.018 |
| r(A·U) | 0.016 | 0.005 | 0.017∗ | 0.003 | 0.019 | 0.003 | 0.015 | 0.004 | 0.017 | 0.003 |
| d(G·C) | 0.068 | 0.051 | 0.063 | 0.047 | 0.059 | 0.044 | 0.064 | 0.048 | 0.063 | 0.047 |
| r(G·C) | 0.062 | 0.003 | 0.057 | 0.007 | 0.052† | 0.006 | 0.056 | 0.003 | 0.058 | 0.005 |
Measured in kcal/mol deg2 for d(A·T), r(A·U), d(G·C), and r(G·C) for the four sequences. The ending two basepairs have been removed for the analysis. Values corresponding to Parmbsc0 simulations are in roman style while those corresponding to CHARMM27 are in italics.
Basepair 3 was removed due to fraying effects.
Basepair 16 was removed due to fraying effects.