Table 3. Statistical base pair geometries for the simulated triplexes.
Analysis is performed on the following triplexes trpDNA, trp1D1L, trp2D1L, trp3D1L, trp2D2L and trp2L2D. For comparison the parameters of dupDNA and dup1D1L are also reported.
| Base pair geometries | Triplex | dupDNA | dup1D1L | |||
|---|---|---|---|---|---|---|
| Lowera | Average | Uppera | ||||
| Axis (Å) | X-displacement | -4.95 | -3.30 | -1.45 | -0.77 | -4.47 |
| Y-displacement | -0.95 | 0.30 | 1.55 | 0.14 | 0.42 | |
| Axis (°) | Inclination | -6.0 | 6.5 | 18.5 | 10.2 | 12.0 |
| Tip | -6.5 | 3.0 | 13.5 | 2.7 | 4.4 | |
| Intra bp (Å) | Shear | -0.65 | 0.00 | 0.60 | -0.09 | -0.06 |
| Stretching | -0.25 | -0.05 | 0.25 | -0.10 | -0.03 | |
| Stagger | -1.25 | -0.20 | 0.80 | -0.23 | -0.07 | |
| Intra bp (°) | Buckle | -24.5 | 0.5 | 22.0 | 4.4 | 5.1 |
| Propeller | -23.5 | -6.0 | 13.5 | -12.0 | -6.9 | |
| Opening | -8.0 | 2.0 | 14.0 | 3.1 | 2.9 | |
| Inter bp (Å) | Shift | -1.45 | -0.30 | 0.75 | -0.23 | -0.36 |
| Slide | -2.55 | -1.50 | -0.30 | 0.10 | -1.77 | |
| Rise | 2.65 | 3.40 | 4.55 | 3.41 | 3.37 | |
| Inter bp (°) | Tilt | -13.0 | -2.0 | 12.5 | -1.8 | -2.3 |
| Roll | -11.0 | 3.0 | 14.0 | 6.0 | 6.3 | |
| Twist | 21.5 | 29.5 | 36.5 | 33.9 | 28.6 | |
a. The lower and upper bound, within which the 95% area under curve is distributed.