Table 1. Geometrical parameters of the T-form of d(CCCTAA)a.
Base |
χ (°) |
P (°) |
Buckle (°) |
Propeller twist (°) |
C1 | –146 ± 10 | 131 ± 50 | 29 ± 8 | –175 ± 7 |
C2 | –125 ± 8 | 58 ± 6 | 3 ± 3 | –168 ± 3 |
C3 | –123 ± 4 | 53 ± 12 | 4 ± 3 | –177 ± 3 |
T4 | –128 ± 11 | 31 ± 14 | –2 ± 5 | –180 ± 4 |
A5 |
–105 ± 40 |
100 ± 45 |
–8 ± 12 |
136 ± 58 |
Step |
Rise (Å) |
Helical twist (°) |
|
|
C1–C2 | 6.9 ± 0.4 | 25 ± 4 | ||
C2–C3 | 6.1 ± 0.2 | 19 ± 5 | ||
C3–T4 | 6.4 ± 0.3 | 27 ± 3 | ||
T4–A5 | 6.1 ± 0.2 | –8 ± 10 |
aThe parameters were computed with the Curves 5.3 program (30), using the definitions therein. The values are the average ± standard deviation obtained for the seven lowest-energy structures: The χ and P parameters were obtained from 28 deoxyriboses, and the other helical parameters were from 14 parallel duplexes.