|  | Canonical | Simulations in crowded environment | ||||
---|---|---|---|---|---|---|---|
 | X-ray (1BNA) | A-DNA | B-DNA | 0% | 20% | 30% | 40% |
Slide (Å) | 0.07 (0.20) | −1.62 (0.06) | 0.16 (0.08) | 0.26 (0.04) | 0.25 (0.06) | 0.21 (0.04) | 0.25 (0.05) |
Twist (deg) | 34.22 (2.13) | 30.34 (0.58) | 34.70 (0.70) | 33.42 (0.18) | 34.06 (0.25) | 33.96 (0.38) | 33.43 (0.31) |
X-displacement (Å) | −0.23 (0.20) | −4.50 (0.18) | −0.20 (0.13) | − 0.59 (0.10) | − 0.60 (0.14) | − 0.72 (0.11) | − 0.79 (0.12) |
Helical rise (Ã…) | 3.29 (0.05) | 2.68 (0.08) | 3.25 (0.02) | 3.24 (0.00) | 3.27 (0.01) | 3.25 (0.02) | 3.27 (0.02) |
Inclination (deg) | 4.02 (2.73) | 17.78 (1.56) | 4.34 (0.77) | 10.87 (0.22) | 10.62 (0.44) | 11.15 (0.59) | 12.59 (0.77) |
zp (Å) | −0.23 (0.07) | 2.06 (0.07) | −0.33 (0.04) | − 0.07 (0.03) | 0.12 (0.05) | 0.14 (0.05) | 0.22 (0.04) |
Minor groove (Ã…) | 10.32 (0.46) | 15.72 (0.12) | 10.77 (0.12) | 13.50 (0.05) | 13.42 (0.18) | 13.08 (0.14) | 13.73 (0.19) |
Major groove (Ã…) | 17.34 (0.33) | 12.94 (0.39) | 17.14 (0.12) | 16.47 (0.11) | 16.54 (0.10) | 16.39 (0.15) | 16.31 (0.12) |