Table 1. Sugar–phosphate torsion angles, glycosidic angles (°) and furanose conformations for the d(CGTACG)2/9-aminobutyl-DACA complex, data for the complex with d(CG5BrUACG)2 are in bolda.
| α P-O5′ | β O5′-C5′ | γ C5′-C4′ | δ C4′-C3′ | ɛ C3′-O3′ | ζ O3′-P | χ C1′-N | P | τm | pucker | |
|---|---|---|---|---|---|---|---|---|---|---|
| G2 | 67 27 | 139 153 | –172 –167 | –97 –97 | –118 –117 | 160 180 | 42 40 | C2′-endo C2′-endo | ||
| 5BrU3/T3 | –50 –48 | 168 164 | 43 34 | 109 111 | 169 168 | –83 –87 | –122 –120 | 112 111 | 42 43 | C1′-exo C1′-exo |
| A4 | –69 –53 | –171 –172 | 46 28 | 132 138 | –177 –172 | –92 –88 | –113 –117 | 140 146 | 40 38 | C2′-endo C2′-endo |
| C5 | –61 –67 | 170 165 | 42 52 | 108 109 | –165 –158 | –94 –87 | –126 –128 | 99 110 | 50 42 | O1′-endo C1′-exo |
| G6 | –79 –64 | –150 –150 | 60 36 | 93 81 | –88 –88 | 19 20 | 38 43 | C3′-endo C3′-endo | ||
| C7 | 169 180 | 151 133 | –131 –134 | 68 75 | –119 –117 | 156 149 | 47 37 | C2′-endo C2′-endo | ||
| G8 | 69 47 | 147 156 | 38 60 | 83 84 | –169 –174 | –70 –55 | –162 –161 | 14 21 | 42 32 | C3′-endo C3′-endo |
| 5BrU3/ T9 | –70 –66 | –171 –179 | 68 60 | 144 136 | 179 178 | –102 –82 | –127 –128 | 158 150 | 38 35 | C2′-endo C2′-endo |
| A10 | –64 –71 | –168 –165 | 48 41 | 141 144 | –171 –162 | –88 –90 | –117 –119 | 162 164 | 41 38 | C2′-endo C2′-endo |
| C11 | –63 –54 | 168 171 | 45 33 | 128 131 | –160 –160 | –84 –76 | –110 –106 | 134 132 | 52 42 | C1′-exo C1′-exo |
| G12 | –60 –57 | –166 –176 | 64 61 | 98 99 | –60 –65 | 347 335 | 39 42 | C2′-exo C2′-exo | ||
| B DNAb | –62 | BI 176 | 48 | BI 128 | BI –176 | BI –95 | BIR-102 | 160 | 35 | C2′-endo |
| BII 146 | BII 144 | BII –114 | BII 174 | BIY-119 | ||||||
| BII –89 | ||||||||||
| A DNAb | –175 | 174 | 56 | 81 | –157 | –71 | –161 | 15 | 35 | C3′-endo |
| –67 | 150 |
P, pseudorotation phase angle; τm, pseudorotation amplitude.
aAll parameters were calculated using the Curves 5.2 programme (29).
bAverage values for DNA taken from Schneider et al. (45).