Table 3 Average Helical Parameters for the GC-rich Dodecamer
| Â | Â | Canonical | Simulations in crowded environment | ||||
|---|---|---|---|---|---|---|---|
| Â | X-ray (399D) | A-DNA | B-DNA | 0% | 20% | 30% | 40% |
Slide (Å) | −1.71 (0.16) | −1.62 (0.06) | 0.16 (0.08) | 0.32 (0.19) | 0.02 (0.10) | 0.02 (0.10) | 0.00 (0.07) |
Twist (deg) | 29.59 (1.34) | 30.34 (0.58) | 34.70 (0.70) | 32.47 (0.85) | 32.93 (0.42) | 33.34 (0.41) | 33.11 (0.36) |
X-displacement (Å) | −5.01 (0.41) | −4.50 (0.18) | −0.20 (0.13) | −0.46 (0.28) | −1.03 (0.20) | − 1.09 (0.22) | −1.10 (0.16) |
Helical rise (Ã…) | 2.66 (0.22) | 2.68 (0.08) | 3.25 (0.02) | 3.26 (0.03) | 3.23 (0.04) | 3.26 (0.02) | 3.27 (0.02) |
Inclination (deg) | 20.71 (4.33) | 17.78 (1.56) | 4.34 (0.77) | 10.01 (0.33) | 10.70 (0.38) | 11.34 (0.49) | 11.34 (1.19) |
zp (Å) | 1.56 (0.35) | 2.06 (0.07) | −0.33 (0.04) | −0.21 (0.12) | −0.20 (0.09) | − 0.23 (0.07) | −0.18 (0.05) |
Minor groove (Ã…) | 16.22 (0.47) | 15.72 (0.12) | 10.77 (0.12) | 14.91 (0.23) | 14.54 (0.08) | 14.52 (0.10) | 14.76 (0.21) |
Major groove (Ã…) | 13.14 (2.63) | 12.94 (0.39) | 17.14 (0.12) | 16.26 (0.16) | 16.53 (0.13) | 16.22 (0.14) | 16.27 (0.23) |