RMSD of the bases (----- for WC bp, + for isolated bp, x for helix change) Strand I Strand II Helix 1 (0.011) ....>C:.501_:[..G]G-----C[..C]:.572_:C<.... (0.008) | 2 (0.008) ....>C:.502_:[..G]G-*---U[..U]:.571_:C<.... (0.007) | 3 (0.005) ....>C:.503_:[..C]C-----G[..G]:.570_:C<.... (0.004) | 4 (0.005) ....>C:.504_:[..C]C-----G[..G]:.569_:C<.... (0.008) | 5 (0.007) ....>C:.505_:[..C]C-----G[..G]:.568_:C<.... (0.009) | 6 (0.006) ....>C:.506_:[..C]C-----G[..G]:.567_:C<.... (0.004) | 7 (0.004) ....>C:.507_:[..A]A-----U[..U]:.566_:C<.... (0.004) | 8 (0.008) ....>C:.549_:[..G]G-----C[..C]:.565_:C<.... (0.003) | 9 (0.006) ....>C:.550_:[..G]G-----C[..C]:.564_:C<.... (0.005) | 10 (0.005) ....>C:.551_:[..G]G-----C[..C]:.563_:C<.... (0.002) | 11 (0.003) ....>C:.552_:[..G]G-----C[..C]:.562_:C<.... (0.004) | 12 (0.008) ....>C:.553_:[..G]G-----C[..C]:.561_:C<.... (0.004) | 13 (0.007) ....>C:.554_:[..U]U-**--A[..A]:.558_:C<.... (0.003) | 14 (0.009) ....>C:.555_:[..U]U-**+-G[..G]:.518_:C<.... (0.014) x 15 (0.006) ....>C:.538_:[..A]A-**--C[..C]:.532_:C<.... (0.006) | 16 (0.007) ....>C:.539_:[..G]G-----C[..C]:.531_:C<.... (0.003) | 17 (0.009) ....>C:.540_:[..G]G-----C[..C]:.530_:C<.... (0.007) | 18 (0.003) ....>C:.541_:[..C]C-----G[..G]:.529_:C<.... (0.006) | 19 (0.008) ....>C:.542_:[..C]C-----G[..G]:.528_:C<.... (0.007) | 20 (0.007) ....>C:.543_:[..G]G-----C[..C]:.527_:C<.... (0.009) | 21 (0.011) ....>C:.544_:[..A]A-**--G[..G]:.526_:C<.... (0.009) | 22 (0.012) ....>C:.510_:[..G]G-----C[..C]:.525_:C<.... (0.005) | 23 (0.005) ....>C:.511_:[..U]U-----A[..A]:.524_:C<.... (0.006) | 24 (0.005) ....>C:.512_:[..C]C-----G[..G]:.523_:C<.... (0.010) | 25 (0.007) ....>C:.513_:[..U]U-*---G[..G]:.522_:C<.... (0.013) | 26 (0.005) ....>C:.508_:[..U]U-**--A[..A]:.546_:C<.... (0.007) | 27 (0.009) ....>C:.514_:[..A]A-**--A[..A]:.521_:C<.... (0.013) | 28 (0.024) ....>C:.515_:[..G]G-**+-C[..C]:.548_:C<.... (0.013) x 29 (0.012) ....>C:.519_:[..G]G-----C[..C]:.556_:C<.... (0.003) + 30 (0.011) ....>D:.501_:[..G]G-----C[..C]:.572_:D<.... (0.010) | 31 (0.008) ....>D:.502_:[..G]G-*---U[..U]:.571_:D<.... (0.007) | 32 (0.010) ....>D:.503_:[..C]C-----G[..G]:.570_:D<.... (0.007) | 33 (0.006) ....>D:.504_:[..C]C-----G[..G]:.569_:D<.... (0.009) | 34 (0.011) ....>D:.505_:[..C]C-----G[..G]:.568_:D<.... (0.008) | 35 (0.004) ....>D:.506_:[..C]C-----G[..G]:.567_:D<.... (0.004) | 36 (0.005) ....>D:.507_:[..A]A-----U[..U]:.566_:D<.... (0.002) | 37 (0.006) ....>D:.549_:[..G]G-----C[..C]:.565_:D<.... (0.006) | 38 (0.004) ....>D:.550_:[..G]G-----C[..C]:.564_:D<.... (0.004) | 39 (0.003) ....>D:.551_:[..G]G-----C[..C]:.563_:D<.... (0.003) | 40 (0.006) ....>D:.552_:[..G]G-----C[..C]:.562_:D<.... (0.002) | 41 (0.004) ....>D:.553_:[..G]G-----C[..C]:.561_:D<.... (0.007) | 42 (0.004) ....>D:.554_:[..U]U-**--A[..A]:.558_:D<.... (0.005) | 43 (0.008) ....>D:.555_:[..U]U-**+-G[..G]:.518_:D<.... (0.009) x 44 (0.010) ....>D:.538_:[..A]A-**--C[..C]:.532_:D<.... (0.007) | 45 (0.011) ....>D:.539_:[..G]G-----C[..C]:.531_:D<.... (0.010) | 46 (0.008) ....>D:.540_:[..G]G-----C[..C]:.530_:D<.... (0.004) | 47 (0.005) ....>D:.541_:[..C]C-----G[..G]:.529_:D<.... (0.009) | 48 (0.007) ....>D:.542_:[..C]C-----G[..G]:.528_:D<.... (0.011) | 49 (0.008) ....>D:.543_:[..G]G-----C[..C]:.527_:D<.... (0.005) | 50 (0.011) ....>D:.544_:[..A]A-**--G[..G]:.526_:D<.... (0.010) | 51 (0.005) ....>D:.510_:[..G]G-----C[..C]:.525_:D<.... (0.009) | 52 (0.007) ....>D:.511_:[..U]U-----A[..A]:.524_:D<.... (0.007) | 53 (0.005) ....>D:.512_:[..C]C-----G[..G]:.523_:D<.... (0.010) | 54 (0.005) ....>D:.513_:[..U]U-*---G[..G]:.522_:D<.... (0.012) | 55 (0.010) ....>D:.514_:[..A]A-**--U[..U]:.508_:D<.... (0.009) | 56 (0.020) ....>D:.515_:[..G]G-**+-C[..C]:.548_:D<.... (0.006) x 57 (0.008) ....>D:.519_:[..G]G-----C[..C]:.556_:D<.... (0.003) + Note: This structure contains 17[13] non-Watson-Crick base-pairs. **************************************************************************** Detailed H-bond information: atom-name pair and length [ O N] 1 G-----C [3] O6 - N4 2.62 N1 - N3 2.83 N2 - O2 2.94 2 G-*---U [2] O6 - N3 2.85 N1 - O2 2.91 3 C-----G [3] O2 - N2 2.96 N3 - N1 2.95 N4 - O6 2.88 4 C-----G [3] O2 - N2 2.94 N3 - N1 3.09 N4 - O6 3.10 5 C-----G [3] O2 - N2 2.98 N3 - N1 2.94 N4 - O6 2.87 6 C-----G [3] O2 - N2 2.73 N3 - N1 2.87 N4 - O6 2.97 7 A-----U [2] N6 - O4 2.94 N1 - N3 3.07 8 G-----C [3] O6 - N4 3.44 N1 - N3 3.23 N2 - O2 2.91 9 G-----C [3] O6 - N4 2.88 N1 - N3 2.91 N2 - O2 2.83 10 G-----C [3] O6 - N4 3.27 N1 - N3 3.07 N2 - O2 2.72 11 G-----C [3] O6 - N4 3.06 N1 - N3 2.92 N2 - O2 2.68 12 G-----C [3] O6 - N4 3.25 N1 - N3 3.22 N2 - O2 3.06 13 U-**--A [2] O2 - N6 3.17 N3 - N7 3.19 14 U-**+-G [1] O2 - N2 2.70 15 A-**--C [1] N6 - O2 3.15 16 G-----C [3] O6 - N4 3.03 N1 - N3 2.90 N2 - O2 2.68 17 G-----C [3] O6 - N4 3.13 N1 - N3 2.88 N2 - O2 2.55 18 C-----G [3] O2 - N2 2.61 N3 - N1 2.73 N4 - O6 2.76 19 C-----G [3] O2 - N2 2.51 N3 - N1 2.69 N4 - O6 2.77 20 G-----C [3] O6 - N4 2.96 N1 - N3 2.89 N2 - O2 2.86 21 A-**--G [2] N6 - O6 3.10 N1 - N1 2.88 22 G-----C [3] O6 - N4 3.09 N1 - N3 3.05 N2 - O2 2.90 23 U-----A [2] N3 - N1 2.74 O4 - N6 3.07 24 C-----G [3] O2 - N2 2.74 N3 - N1 2.89 N4 - O6 2.94 25 U-*---G [2] O2 - N1 2.65 N3 - O6 2.96 26 U-**--A [3] O3'- O2' 2.87 O2'- N3 3.22 O2 * N1 3.55 27 A-**--A [2] N6 - N3 3.03 N1 - O2' 2.74 28 G-**+-C [2] N1 - O2 3.24 N2 - N3 2.95 29 G-----C [3] O6 - N4 2.82 N1 - N3 2.94 N2 - O2 3.25 30 G-----C [3] O6 - N4 2.69 N1 - N3 2.83 N2 - O2 2.96 31 G-*---U [2] O6 - N3 2.91 N1 - O2 2.94 32 C-----G [3] O2 - N2 2.95 N3 - N1 2.88 N4 - O6 2.77 33 C-----G [3] O2 - N2 2.84 N3 - N1 3.01 N4 - O6 3.03 34 C-----G [3] O2 - N2 2.90 N3 - N1 2.90 N4 - O6 2.79 35 C-----G [3] O2 - N2 2.75 N3 - N1 2.92 N4 - O6 3.03 36 A-----U [2] N6 - O4 2.84 N1 - N3 3.02 37 G-----C [3] O6 - N4 3.46 N1 - N3 3.26 N2 - O2 2.99 38 G-----C [3] O6 - N4 2.88 N1 - N3 2.90 N2 - O2 2.81 39 G-----C [3] O6 - N4 3.25 N1 - N3 3.07 N2 - O2 2.74 40 G-----C [3] O6 - N4 3.04 N1 - N3 2.93 N2 - O2 2.71 41 G-----C [3] O6 - N4 3.26 N1 - N3 3.21 N2 - O2 3.02 42 U-**--A [2] O2 - N6 3.15 N3 - N7 3.19 43 U-**+-G [1] O2 - N2 2.90 44 A-**--C [1] N6 - O2 3.00 45 G-----C [3] O6 - N4 2.94 N1 - N3 2.87 N2 - O2 2.70 46 G-----C [3] O6 - N4 3.16 N1 - N3 2.85 N2 - O2 2.47 47 C-----G [3] O2 - N2 2.57 N3 - N1 2.69 N4 - O6 2.74 48 C-----G [3] O2 - N2 2.45 N3 - N1 2.67 N4 - O6 2.81 49 G-----C [3] O6 - N4 3.02 N1 - N3 2.83 N2 - O2 2.69 50 A-**--G [2] N6 - O6 3.06 N1 - N1 2.85 51 G-----C [3] O6 - N4 3.07 N1 - N3 3.05 N2 - O2 2.90 52 U-----A [2] N3 - N1 2.74 O4 - N6 3.12 53 C-----G [3] O2 - N2 2.68 N3 - N1 2.88 N4 - O6 2.92 54 U-*---G [2] O2 - N1 2.60 N3 - O6 2.91 55 A-**--U [3] OP2* O4 3.36 N7 - N3 2.83 N6 - O2 2.77 56 G-**+-C [2] N1 - O2 3.19 N2 - N3 3.01 57 G-----C [2] O6 - N4 3.37 N1 - N3 3.38