Table II.
Average Cα RMSD (Å), Rg (Å), inner pore diameter (Å) and inter-stand distances (Å) of the wild type and mutants of tandem repeat cylindrin, the single chain cylindrin.
| Type of Analysis | Run | Models of tandem repeat cylindrin | Models of single chain cylindrin | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| WT-TR | V2L-TR | V4AV8A-TR | V4GV8G-TR | VTL-TR | WT | V2L | V4AV8A | V4GV8G | V4LV8L | ||
| Cα RMSD (Å) | 1 | 1.72 | 1.52 | 3.03 | 5.06 | 2.84 | 2.27 | 1.51 | 2.96 | 4.13 | 2.86 |
| 2 | 1.63 | 1.46 | 3.04 | 6.96 | 3.16 | 1.33 | 1.08 | 2.97 | 5.10 | 2.49 | |
| 3 | 2.06 | 1.53 | 3.31 | 5.19 | 2.99 | 1.68 | 1.46 | 3.271 | 5.09 | 2.71 | |
| Mean value ±SD§ | 1.81±0.2 | 1.50±0.3 | 3.13±0.4 | 5.74±0.8 | 2.99±0.5 | 1.76±0.3 | 1.35±0.3 | 3.07±0.3 | 4.62±0.9 | 2.69±0.4 | |
| Rg (Å) | 1 | 12.33 | 12.23 | 12.15 | 12.01 | 12.52 | 11.70 | 11.68 | 11.59 | 11.65 | 12.10 |
| 2 | 12.35 | 12.22 | 12.19 | 12.41 | 12.21 | 11.92 | 11.73 | 11.70 | 11.79 | 11.61 | |
| 3 | 12.37 | 12.22 | 12.17 | 11.81 | 12.18 | 11.77 | 11.75 | 11.74 | 11.65 | 12.04 | |
| Mean value ±SD | 12.35±0.1 | 12.22±0.1 | 12.17±0.1 | 12.08±0.3 | 12.31±0.3 | 11.79 | 11.72±0.1 | 11.68±0.1 | 11.72±0.3 | 11.91±0.2 | |
| Pore diameter (Å) | 1 | 11.84 | 12.24 | 12.05 | 14.85 | 13.34 | 11.63 | 11.66 | 11.68 | 8.94 | 12.58 |
| 2 | 12.02 | 12.14 | 12.60 | 7.98 | 13.36 | 11.58 | 12.16 | 12.60 | 16.84 | 13.61 | |
| 3 | 11.72 | 12.31 | 13.13 | 13.35 | 13.24 | 11.96 | 12.17 | 13.13 | 12.90 | 13.70 | |
| Mean value ±SD | 11.86±0.5 | 12.22±0.5 | 12.59±1.3 | 12.06±2.1 | 13.31±0.6 | 11.72±0.5 | 11.99±0.6 | 12.59±1.3 | 12.89±1.8 | 13.30±0.9 | |
| In register ISD * | 1 | 3.72 | 3.77 | 3.95 | 6.24 | 3.77 | 3.67 | 3.72 | 3.88 | 4.65 | 3.89 |
| 2 | 3.74 | 3.77 | 3.94 | 7.45 | 3.75 | 3.64 | 3.77 | 3.91 | 5.46 | 3.77 | |
| 3 | 3.66 | 3.77 | 3.95 | 5.35 | 3.76 | 3.72 | 3.73 | 4.05 | 5.06 | 3.89 | |
| Mean value ±SD | 3.71±0.1 | 3.77±0.1 | 3.94±0.2 | 6.34±0.9 | 3.76±0.1 | 3.70±0.1 | 3.74±0.1 | 3.95±0.2 | 5.44±0.7 | 3.85±0.2 | |
| Out-off -register** | 1 | 4.84 | 5.08 | 4.61 | 5.99 | 6.87 | 4.76 | 4.93 | 4.62 | 6.08 | 7.41 |
| 2 | 4.89 | 5.09 | 4.60 | 6.99 | 6.40 | 4.74 | 5.11 | 4.59 | 6.12 | 6.26 | |
| 3 | 4.77 | 5.08 | 4.60 | 6.28 | 6.54 | 4.87 | 5.01 | 4.63 | 6.10±0.80 | 7.38 | |
| Mean value ±SD | 4.83±0.2 | 5.08±0.3 | 4.61±0.1 | 6.43±1.0 | 6.60±0.6 | 4.81±0.1 | 5.01±0.4 | 4.61±0.2 | 6.19±0.8 | 7.02±0.5 | |
§
Mean values and standard deviation (SD) are calculated from the three values obtained by averaging over the 300 ns of each of the three independent runs of each model
*
In register inter-strand distance,
**
out-off-register inter-strand distance