RMSD of the bases (----- for WC bp, + for isolated bp, x for helix change) Strand I Strand II Helix 1 (0.006) ....>C:...2_:[..C]C-----G[..G]:..71_:C<.... (0.005) | 2 (0.003) ....>C:...3_:[..G]G-----C[..C]:..70_:C<.... (0.003) | 3 (0.005) ....>C:...4_:[..C]C-----G[..G]:..69_:C<.... (0.003) | 4 (0.003) ....>C:...5_:[..C]C-----G[..G]:..68_:C<.... (0.003) | 5 (0.010) ....>C:...6_:[..G]G-----C[..C]:..67_:C<.... (0.003) | 6 (0.002) ....>C:...7_:[..C]C-----G[..G]:..66_:C<.... (0.009) | 7 (0.005) ....>C:..49_:[..C]C-**+-G[..G]:..65_:C<.... (0.008) | 8 (0.005) ....>C:..50_:[..C]C-----G[..G]:..64_:C<.... (0.005) | 9 (0.003) ....>C:..51_:[..G]G-----C[..C]:..63_:C<.... (0.002) | 10 (0.003) ....>C:..52_:[..G]G-----C[..C]:..62_:C<.... (0.002) | 11 (0.004) ....>C:..53_:[..G]G-----C[..C]:..61_:C<.... (0.003) | 12 (0.002) ....>C:..54_:[..U]U-**+-A[..A]:..58_:C<.... (0.015) | 13 (0.003) ....>C:..55_:[..U]U-**+-G[..G]:..18_:C<.... (0.004) x 14 (0.005) ....>C:..38_:[..U]U-*---U[..U]:..32_:C<.... (0.004) | 15 (0.003) ....>C:..39_:[..U]U-----A[..A]:..31_:C<.... (0.004) | 16 (0.001) ....>C:..40_:[..C]C-----G[..G]:..30_:C<.... (0.003) | 17 (0.002) ....>C:..41_:[..U]U-----A[..A]:..29_:C<.... (0.004) | 18 (0.005) ....>C:..42_:[..U]U-----A[..A]:..28_:C<.... (0.007) | 19 (0.004) ....>C:..43_:[..G]G-----C[..C]:..27_:C<.... (0.006) | 20 (0.003) ....>C:..44_:[..C]C-----G[..G]:..26_:C<.... (0.013) | 21 (0.004) ....>C:..10_:[..G]G-*---U[..U]:..25_:C<.... (0.004) | 22 (0.003) ....>C:..11_:[..U]U-----A[..A]:..24_:C<.... (0.011) | 23 (0.007) ....>C:..12_:[..G]G-----C[..C]:..23_:C<.... (0.004) | 24 (0.006) ....>C:..13_:[..U]U-*---U[..U]:..22_:C<.... (0.004) | 25 (0.005) ....>C:..14_:[..A]A-**--U[..U]:...8_:C<.... (0.002) | 26 (0.006) ....>C:..15_:[..G]G-**+-C[..C]:..48_:C<.... (0.003) x 27 (0.011) ....>C:..19_:[..G]G-----C[..C]:..56_:C<.... (0.003) + Note: This structure contains 8[5] non-Watson-Crick base-pairs. **************************************************************************** Detailed H-bond information: atom-name pair and length [ O N] 1 C-----G [3] O2 - N2 2.69 N3 - N1 2.80 N4 - O6 2.85 2 G-----C [3] O6 - N4 2.94 N1 - N3 2.88 N2 - O2 2.80 3 C-----G [3] O2 - N2 2.67 N3 - N1 2.85 N4 - O6 2.91 4 C-----G [2] N3 - N2 3.24 N4 - O6 2.75 5 G-----C [3] O6 - N4 3.10 N1 - N3 3.04 N2 - O2 3.00 6 C-----G [3] O2 - N2 3.03 N3 - N1 3.02 N4 - O6 3.05 7 C-**+-G [1] N4 - O6 2.60 8 C-----G [3] O2 - N2 2.92 N3 - N1 2.92 N4 - O6 2.87 9 G-----C [3] O6 - N4 2.94 N1 - N3 2.91 N2 - O2 2.78 10 G-----C [3] O6 - N4 2.91 N1 - N3 2.90 N2 - O2 2.78 11 G-----C [3] O6 - N4 3.04 N1 - N3 2.99 N2 - O2 2.86 12 U-**+-A [3] O2 * N1 3.33 N3 - N3 3.92 O4 * OP2 3.31 13 U-**+-G [2] O2'- O6 3.20 O2 - N2 2.54 14 U-*---U [1] O4 - N3 3.09 15 U-----A [2] N3 - N1 2.83 O4 - N6 3.03 16 C-----G [3] O2 - N2 2.79 N3 - N1 2.95 N4 - O6 2.99 17 U-----A [2] N3 - N1 3.25 O4 - N6 3.52 18 U-----A [2] N3 - N1 2.97 O4 - N6 2.98 19 G-----C [3] O6 - N4 3.00 N1 - N3 2.92 N2 - O2 2.86 20 C-----G [3] O2 - N2 2.97 N3 - N1 3.02 N4 - O6 3.08 21 G-*---U [2] O6 - N3 2.80 N1 - O2 2.75 22 U-----A [2] N3 - N1 2.84 O4 - N6 2.98 23 G-----C [3] O6 - N4 3.18 N1 - N3 3.00 N2 - O2 2.72 24 U-*---U [2] O2 - N3 2.93 N3 - O4 2.88 25 A-**--U [3] OP2* O4 2.95 N7 - N3 3.00 N6 - O2 2.61 26 G-**+-C [2] N1 - O2 3.08 N2 - N3 3.06 27 G-----C [3] O6 - N4 3.12 N1 - N3 2.89 N2 - O2 2.83