*********************************** ************** ****** CURVES 5.1 R.L. 1996 ***** * 19 Oct 98 * *********************************** ************** FILE : temp_curves.pdb LIS : ideal_rna.curves dna : axin : axout: daf : PDB : ideal_rna.curvesA acc : 0.000 wid : 0.750 rad : 0.000 pit : 0.000 maxn : 500 ior : 0 ibond: 0 splin: 3 break: -1 NLEVE: 6 nbac : 7 ends : F supp : T COMB : T dinu : F mini : T rest : F line : F zaxe : F fit : F test : F GRV : T old : T Strand= 2 Nucleo= 24 Atoms = 774 Units = 24 Input 1) Xdisp= 0.00 Ydisp= 0.00 Inclin= 0.00 Tip= 0.00 Combined strands have 12 levels ... Strand 1 has 12 bases (5'-3'): ACGUGCUCCGGG Strand 2 has 12 bases (3'-5'): UGCACGAGGCCC FIRST SUM= 110.415 CPTS: 0.003 0.002 6.219 104.191 MINIMISATION: ACC = 0.100E-05 MAXN= 500 NVAR= 48 STEP 1 SUM= 110.415 DEL= 0.000E+00 STEP 2 SUM= 90.872 DEL= -0.195E+02 STEP 3 SUM= 69.270 DEL= -0.216E+02 STEP 4 SUM= 44.362 DEL= -0.249E+02 STEP 5 SUM= 39.922 DEL= -0.444E+01 STEP 6 SUM= 30.696 DEL= -0.923E+01 STEP 7 SUM= 29.857 DEL= -0.839E+00 STEP 8 SUM= 23.648 DEL= -0.621E+01 STEP 9 SUM= 20.450 DEL= -0.320E+01 STEP 10 SUM= 15.455 DEL= -0.499E+01 STEP 11 SUM= 45.941 DEL= 0.305E+02 STEP 12 SUM= 14.839 DEL= -0.311E+02 STEP 13 SUM= 14.068 DEL= -0.770E+00 STEP 14 SUM= 12.934 DEL= -0.113E+01 STEP 15 SUM= 11.371 DEL= -0.156E+01 STEP 16 SUM= 9.816 DEL= -0.156E+01 STEP 17 SUM= 8.277 DEL= -0.154E+01 STEP 18 SUM= 6.393 DEL= -0.188E+01 STEP 19 SUM= 4.637 DEL= -0.176E+01 STEP 20 SUM= 28.042 DEL= 0.234E+02 STEP 21 SUM= 4.600 DEL= -0.234E+02 STEP 22 SUM= 4.533 DEL= -0.671E-01 STEP 23 SUM= 4.358 DEL= -0.175E+00 STEP 24 SUM= 4.036 DEL= -0.323E+00 STEP 25 SUM= 3.652 DEL= -0.384E+00 STEP 26 SUM= 3.324 DEL= -0.328E+00 STEP 27 SUM= 2.864 DEL= -0.460E+00 STEP 28 SUM= 2.843 DEL= -0.213E-01 STEP 29 SUM= 2.629 DEL= -0.214E+00 STEP 30 SUM= 2.774 DEL= 0.145E+00 STEP 31 SUM= 2.539 DEL= -0.235E+00 STEP 32 SUM= 2.376 DEL= -0.163E+00 STEP 33 SUM= 2.057 DEL= -0.319E+00 STEP 34 SUM= 1.957 DEL= -0.998E-01 STEP 35 SUM= 1.774 DEL= -0.183E+00 STEP 36 SUM= 1.384 DEL= -0.390E+00 STEP 37 SUM= 1.139 DEL= -0.245E+00 STEP 38 SUM= 0.763 DEL= -0.376E+00 STEP 39 SUM= 0.490 DEL= -0.273E+00 STEP 40 SUM= 0.265 DEL= -0.225E+00 STEP 41 SUM= 0.270 DEL= 0.427E-02 STEP 42 SUM= 0.154 DEL= -0.115E+00 STEP 43 SUM= 0.121 DEL= -0.335E-01 STEP 44 SUM= 0.079 DEL= -0.414E-01 STEP 45 SUM= 0.043 DEL= -0.361E-01 STEP 46 SUM= 0.030 DEL= -0.133E-01 STEP 47 SUM= 0.019 DEL= -0.114E-01 STEP 48 SUM= 0.014 DEL= -0.497E-02 STEP 49 SUM= 0.007 DEL= -0.624E-02 STEP 50 SUM= 0.011 DEL= 0.331E-02 STEP 51 SUM= 0.005 DEL= -0.544E-02 STEP 52 SUM= 0.006 DEL= 0.693E-03 STEP 53 SUM= 0.004 DEL= -0.161E-02 STEP 54 SUM= 0.004 DEL= -0.221E-04 STEP 55 SUM= 0.004 DEL= -0.442E-03 STEP 56 SUM= 0.004 DEL= -0.208E-03 STEP 57 SUM= 0.003 DEL= -0.328E-03 STEP 58 SUM= 0.003 DEL= -0.389E-03 STEP 59 SUM= 0.003 DEL= -0.205E-03 STEP 60 SUM= 0.003 DEL= 0.455E-04 STEP 61 SUM= 0.003 DEL= -0.134E-03 STEP 62 SUM= 0.003 DEL= -0.336E-04 STEP 63 SUM= 0.003 DEL= 0.913E-05 STEP 64 SUM= 0.003 DEL= -0.239E-04 STEP 65 SUM= 0.003 DEL= -0.407E-05 STEP 66 SUM= 0.003 DEL= -0.695E-06 STEP 67 SUM= 0.003 DEL= -0.773E-06 STEP 68 SUM= 0.003 DEL= -0.146E-06 STEP 69 SUM= 0.003 DEL= -0.737E-07 STEP 70 SUM= 0.003 DEL= -0.125E-07 STEP 71 SUM= 0.003 DEL= 0.256E-08 STEP 72 SUM= 0.003 DEL= -0.786E-08 STEP 73 SUM= 0.003 DEL= -0.872E-09 STEP 74 SUM= 0.003 DEL= -0.362E-10 STEP 75 SUM= 0.003 DEL= -0.557E-12 STEP 76 SUM= 0.003 DEL= -0.121E-13 STEP 77 SUM= 0.003 DEL= 0.000E+00 FINAL SUM= 0.003 CPTS: 0.002 0.000 0.000 0.000 GRA= 0.39E-08-0.47E-09 0.87E-09 0.14E-08-0.21E-08-0.24E-07 0.97E-09 0.14E-09 GRA= 0.11E-07 0.17E-07 0.46E-09 0.57E-09-0.98E-08 0.14E-07 0.71E-09-0.35E-09 GRA=-0.34E-08-0.10E-07-0.13E-08-0.43E-09 0.18E-08-0.40E-08-0.93E-09-0.10E-09 GRA= 0.18E-07-0.25E-08-0.11E-08 0.81E-09-0.15E-07 0.86E-08-0.11E-08-0.31E-09 GRA=-0.16E-08-0.15E-07 0.11E-09-0.37E-09-0.33E-09-0.95E-08 0.45E-09 0.12E-08 GRA= 0.35E-08 0.61E-08 0.27E-09-0.14E-08 0.62E-08 0.14E-07 0.63E-09-0.76E-09 ---------------------------- |A| Global axis parameters | ---------------------------- 1) U: 0.001 0.001 1.000 P: 0.000 -0.002 0.002 D: 0.000 2) U: 0.000 -0.001 1.000 P: 0.000 -0.001 2.813 D: 0.000 3) U: 0.001 0.001 1.000 P: 0.000 -0.001 5.619 D: 0.000 4) U: -0.001 0.000 1.000 P: 0.001 0.001 8.431 D: 0.000 5) U: 0.000 0.001 1.000 P: -0.001 0.000 11.239 D: 0.000 6) U: 0.001 0.000 1.000 P: -0.001 0.001 14.053 D: 0.000 7) U: 0.000 -0.001 1.000 P: -0.002 0.001 16.862 D: 0.000 8) U: 0.000 0.001 1.000 P: -0.001 0.001 19.673 D: 0.000 9) U: 0.000 0.001 1.000 P: -0.001 0.001 22.483 D: 0.000 10) U: 0.001 -0.001 1.000 P: -0.001 0.000 25.288 D: 0.000 11) U: 0.001 -0.001 1.000 P: -0.001 -0.001 28.098 D: 0.000 12) U: 0.001 0.000 1.000 P: 0.000 -0.002 30.907 --------------------------------- |B| Global Base-Axis Parameters | --------------------------------- 1st strand Xdisp Ydisp Inclin Tip Bc Tc (dx) (dy) (eta) (theta) 1) A 1 -5.31 -0.19 15.92 7.14 2 0 2) C 2 -5.30 -0.19 15.70 7.27 3 -14 3) G 3 -5.31 -0.19 15.90 7.25 1 14 4) U 4 -5.30 -0.19 15.89 7.14 4 -29 5) G 5 -5.30 -0.19 15.91 7.25 1 15 6) C 6 -5.30 -0.19 15.72 7.27 3 -7 7) U 7 -5.30 -0.19 15.88 7.14 4 -17 8) C 8 -5.30 -0.19 15.70 7.28 3 -2 9) C 9 -5.30 -0.19 15.68 7.26 3 -9 10) G 10 -5.31 -0.19 15.88 7.23 1 9 11) G 11 -5.30 -0.19 15.89 7.23 1 1 12) G 12 -5.30 -0.19 15.90 7.22 1 0 2nd strand Xdisp Ydisp Inclin Tip Bc Tc (dx) (dy) (eta) (theta) 1) U 24 -5.31 -0.19 15.89 7.10 4 0 2) G 23 -5.30 -0.19 15.91 7.21 1 14 3) C 22 -5.30 -0.19 15.70 7.24 3 -14 4) A 21 -5.31 -0.19 15.91 7.11 2 29 5) C 20 -5.30 -0.19 15.72 7.24 3 -15 6) G 19 -5.30 -0.19 15.91 7.22 1 7 7) A 18 -5.31 -0.19 15.92 7.10 2 17 8) G 17 -5.30 -0.19 15.90 7.21 1 2 9) G 16 -5.31 -0.19 15.88 7.21 1 9 10) C 15 -5.30 -0.19 15.68 7.24 3 -9 11) C 14 -5.30 -0.19 15.69 7.27 3 -1 12) C 13 -5.30 -0.19 15.71 7.26 3 0 -------------------------------------- |C| Global Base pair-Axis Parameters | -------------------------------------- Strand 1 with strand 2 ... Duplex Xdisp Ydisp Inclin Tip Bc Tc (dx) (dy) (eta) (theta) 1) A 1-U 24 -5.31 0.00 15.91 0.02 2 0 2) C 2-G 23 -5.30 0.00 15.81 0.03 3 -14 3) G 3-C 22 -5.30 0.00 15.80 0.00 1 14 4) U 4-A 21 -5.30 0.00 15.90 0.01 4 -29 5) G 5-C 20 -5.30 0.00 15.82 0.01 1 15 6) C 6-G 19 -5.30 0.00 15.82 0.03 3 -7 7) U 7-A 18 -5.30 0.00 15.90 0.02 4 -17 8) C 8-G 17 -5.30 0.00 15.80 0.03 3 -2 9) C 9-G 16 -5.30 0.00 15.78 0.02 3 -9 10) G 10-C 15 -5.30 0.00 15.78 -0.01 1 9 11) G 11-C 14 -5.30 0.00 15.79 -0.02 1 1 12) G 12-C 13 -5.30 0.00 15.80 -0.02 1 0 Average: -5.30 0.00 15.83 0.01 --------------------------------- |D| Global Base-Base Parameters | --------------------------------- Strand 1 with strand 2 ... Duplex Shear Stretch Stagger Buckle Propel Opening Bc Tc (Sx) (Sy) (Sz) (kappa) (omega) (sigma) 1) A 1-U 24 0.00 -0.38 0.19 0.03 14.24 -4.26 2 0 2) C 2-G 23 0.00 -0.38 0.22 -0.21 14.48 -4.21 3 -14 3) G 3-C 22 0.00 -0.38 0.22 0.20 14.49 -4.19 1 14 4) U 4-A 21 0.00 -0.38 0.19 -0.02 14.25 -4.26 4 -29 5) G 5-C 20 0.00 -0.39 0.22 0.19 14.49 -4.23 1 15 6) C 6-G 19 0.00 -0.39 0.22 -0.19 14.49 -4.23 3 -7 7) U 7-A 18 0.00 -0.38 0.20 -0.04 14.24 -4.29 4 -17 8) C 8-G 17 0.00 -0.38 0.22 -0.20 14.49 -4.19 3 -2 9) C 9-G 16 0.00 -0.38 0.22 -0.20 14.47 -4.21 3 -9 10) G 10-C 15 0.00 -0.38 0.22 0.20 14.47 -4.22 1 9 11) G 11-C 14 0.00 -0.38 0.22 0.20 14.50 -4.18 1 1 12) G 12-C 13 0.00 -0.38 0.22 0.19 14.48 -4.19 1 0 Average: 0.00 -0.38 0.21 0.01 14.42 -4.22 ---------------------------------- |E| Global Inter-Base Parameters | ---------------------------------- 1st strand Shift Slide Rise Tilt Roll Twist Dc (Dx) (Dy) (Dz) (tau) (rho) (Omega) 2) A 1/C 2 0.00 0.00 2.82 -0.30 0.21 32.75 -6 3) C 2/G 3 0.00 0.00 2.81 0.21 -0.14 32.65 8 4) G 3/U 4 0.00 0.00 2.80 0.08 -0.04 32.72 6 5) U 4/G 5 0.00 0.00 2.82 -0.05 0.06 32.67 -9 6) G 5/C 6 0.00 0.00 2.81 -0.19 0.11 32.75 5 7) C 6/U 7 0.00 0.00 2.80 0.24 -0.17 32.66 -3 8) U 7/C 8 0.00 0.00 2.82 -0.26 0.19 32.77 -2 9) C 8/C 9 0.00 0.00 2.81 -0.02 -0.02 32.69 -1 10) C 9/G 10 0.00 0.00 2.81 0.20 -0.12 32.63 8 11) G 10/G 11 0.01 0.00 2.81 0.03 0.00 32.74 1 12) G 11/G 12 0.00 0.00 2.81 0.03 -0.01 32.69 1 2nd strand Shift Slide Rise Tilt Roll Twist Dc (Dx) (Dy) (Dz) (tau) (rho) (Omega) 2) U 24/G 23 0.00 0.00 2.80 -0.05 0.02 32.70 6 3) G 23/C 22 0.00 0.00 2.81 -0.21 0.15 32.64 8 4) C 22/A 21 0.00 0.00 2.82 0.31 -0.20 32.79 -6 5) A 21/C 20 0.01 0.00 2.80 -0.26 0.18 32.63 9 6) C 20/G 19 0.00 0.00 2.81 0.20 -0.11 32.76 5 7) G 19/A 18 -0.01 0.00 2.82 0.09 -0.08 32.72 3 8) A 18/G 17 0.00 0.00 2.80 -0.10 0.06 32.67 2 9) G 17/G 16 0.00 0.00 2.81 -0.02 0.00 32.71 1 10) G 16/C 15 0.00 0.00 2.80 -0.20 0.12 32.64 8 11) C 15/C 14 0.00 0.00 2.81 0.02 0.02 32.70 -1 12) C 14/C 13 0.00 0.00 2.81 0.04 -0.01 32.70 -1 --------------------------------------- |F| Global Inter-Base pair Parameters | --------------------------------------- Strand 1 with strand 2 ... Duplex Shift Slide Rise Tilt Roll Twist Dc (Dx) (Dy) (Dz) (tau) (rho) (Omega) 2) A 1/C 2 0.00 0.00 2.81 -0.17 0.09 32.72 -6 3) C 2/G 3 0.00 0.00 2.81 0.00 -0.15 32.65 8 4) G 3/U 4 0.00 0.00 2.81 0.20 0.08 32.76 6 5) U 4/G 5 0.00 0.00 2.81 -0.15 -0.06 32.65 -9 6) G 5/C 6 0.00 0.00 2.81 0.01 0.11 32.76 5 7) C 6/U 7 0.00 0.00 2.81 0.16 -0.05 32.69 -3 8) U 7/C 8 0.00 0.00 2.81 -0.18 0.07 32.72 -2 9) C 8/C 9 0.00 0.00 2.81 -0.02 -0.01 32.70 -1 10) C 9/G 10 0.00 0.00 2.81 0.00 -0.12 32.64 8 11) G 10/G 11 0.00 0.00 2.81 0.03 -0.01 32.72 1 12) G 11/G 12 0.00 0.00 2.81 0.03 0.00 32.69 1 Average: 0.00 0.00 2.81 -0.01 0.00 32.70 --------------------------------- |G| Local Inter-Base Parameters | --------------------------------- 1st strand Shift Slide Rise Tilt Roll Twist Dc (Dx) (Dy) (Dz) (tau) (rho) (Omega) 2) A 1/C 2 -0.31 -2.15 3.52 -4.21 9.00 31.28 -6 3) C 2/G 3 -0.32 -2.15 3.48 -3.74 8.64 31.30 8 4) G 3/U 4 -0.31 -2.14 3.49 -3.83 8.81 31.29 6 5) U 4/G 5 -0.31 -2.14 3.50 -3.95 8.89 31.25 -9 6) G 5/C 6 -0.31 -2.15 3.51 -4.13 8.91 31.29 5 7) C 6/U 7 -0.32 -2.14 3.48 -3.68 8.61 31.29 -3 8) U 7/C 8 -0.31 -2.15 3.51 -4.18 8.98 31.31 -2 9) C 8/C 9 -0.32 -2.15 3.49 -3.97 8.71 31.29 -1 10) C 9/G 10 -0.32 -2.14 3.48 -3.73 8.64 31.28 8 11) G 10/G 11 -0.31 -2.14 3.50 -3.90 8.85 31.31 1 12) G 11/G 12 -0.32 -2.14 3.50 -3.90 8.83 31.26 1 2nd strand Shift Slide Rise Tilt Roll Twist Dc (Dx) (Dy) (Dz) (tau) (rho) (Omega) 2) U 24/G 23 0.32 -2.14 3.49 3.83 8.82 31.26 6 3) G 23/C 22 0.32 -2.14 3.48 3.72 8.63 31.28 8 4) C 22/A 21 0.31 -2.14 3.52 4.21 9.00 31.33 -6 5) A 21/C 20 0.32 -2.14 3.47 3.64 8.61 31.27 9 6) C 20/G 19 0.31 -2.15 3.51 4.13 8.91 31.30 5 7) G 19/A 18 0.31 -2.14 3.51 3.98 8.93 31.30 3 8) A 18/G 17 0.32 -2.14 3.49 3.78 8.79 31.24 2 9) G 17/G 16 0.31 -2.14 3.50 3.90 8.84 31.29 1 10) G 16/C 15 0.32 -2.14 3.48 3.73 8.64 31.28 8 11) C 15/C 14 0.32 -2.15 3.49 3.97 8.70 31.30 -1 12) C 14/C 13 0.32 -2.15 3.49 3.98 8.74 31.30 -1 -------------------------------------- |H| Local Inter-Base pair Parameters | -------------------------------------- Strand 1 with strand 2 ... Duplex Shift Slide Rise Tilt Roll Twist Dc (Dx) (Dy) (Dz) (tau) (rho) (Omega) 2) A 1/C 2 0.00 -2.13 3.53 -0.19 9.06 31.47 -6 3) C 2/G 3 0.00 -2.13 3.50 -0.01 8.76 31.49 8 4) G 3/U 4 0.00 -2.13 3.52 0.19 9.05 31.50 6 5) U 4/G 5 0.00 -2.13 3.51 -0.15 8.89 31.46 -9 6) G 5/C 6 0.00 -2.14 3.53 0.00 9.06 31.49 5 7) C 6/U 7 -0.01 -2.13 3.51 0.14 8.91 31.49 -3 8) U 7/C 8 0.00 -2.13 3.52 -0.20 9.02 31.47 -2 9) C 8/C 9 0.00 -2.13 3.51 -0.04 8.91 31.49 -1 10) C 9/G 10 0.00 -2.13 3.50 0.00 8.77 31.48 8 11) G 10/G 11 0.00 -2.13 3.51 0.04 8.91 31.51 1 12) G 11/G 12 0.00 -2.13 3.51 0.04 8.92 31.48 1 Average: 0.00 -2.13 3.51 -0.02 8.93 31.49 --------------------------- |I| Global Axis Curvature | --------------------------- Duplex Ax Ay Ainc Atip Adis Angle Path Dc 2) A 1/C 2 0.00 0.00 -0.07 0.08 0.00 0.11 2.81 -6 3) C 2/G 3 0.00 0.00 0.00 -0.12 0.00 0.12 2.81 8 4) G 3/U 4 0.00 0.00 0.10 0.07 0.00 0.12 2.81 6 5) U 4/G 5 0.00 0.00 -0.07 -0.05 0.00 0.08 2.81 -9 6) G 5/C 6 0.00 0.00 0.00 0.09 0.00 0.09 2.81 5 7) C 6/U 7 0.00 0.00 0.08 -0.04 0.00 0.09 2.81 -3 8) U 7/C 8 0.00 0.00 -0.08 0.06 0.00 0.10 2.81 -2 9) C 8/C 9 0.00 0.00 0.00 0.00 0.00 0.00 2.81 -1 10) C 9/G 10 0.00 0.00 0.00 -0.09 0.00 0.09 2.81 8 11) G 10/G 11 0.00 0.00 0.01 0.00 0.00 0.01 2.81 1 12) G 11/G 12 0.00 0.00 0.02 0.00 0.00 0.02 2.81 1 Duplex Offset Angle= 0.1 Dirn= 0.0 1) A 1 0.00 2) C 2 0.00 3) G 3 0.00 4) U 4 0.00 5) G 5 0.00 6) C 6 0.00 7) U 7 0.00 8) C 8 0.00 9) C 9 0.00 10) G 10 0.00 11) G 11 0.00 12) G 12 0.00 Path length= 30.91 End-to-end= 30.91 Shortening= 0.00 % ------------------------- |J| Backbone Parameters | ------------------------- 1st strand C1'-C2' C2'-C3' Phase Ampli Pucker C1' C2' C3' 1)A 1 -25.82 37.26 13.39 39.01 C3'-endo 106.9 101.8 102.1 2)C 2 -25.85 37.27 13.32 39.00 C3'-endo 106.8 101.8 102.1 3)G 3 -25.84 37.28 13.34 39.01 C3'-endo 106.9 101.8 102.1 4)U 4 -25.84 37.30 13.39 39.04 C3'-endo 106.8 101.8 102.1 5)G 5 -25.87 37.31 13.33 39.04 C3'-endo 106.8 101.8 102.1 6)C 6 -25.85 37.27 13.32 39.01 C3'-endo 106.8 101.8 102.1 7)U 7 -25.77 37.20 13.41 38.95 C3'-endo 106.9 101.8 102.1 8)C 8 -25.81 37.26 13.40 39.01 C3'-endo 106.9 101.8 102.1 9)C 9 -25.76 37.23 13.46 38.98 C3'-endo 106.9 101.8 102.1 10)G 10 -25.83 37.30 13.43 39.05 C3'-endo 106.9 101.8 102.1 11)G 11 -25.83 37.27 13.37 39.01 C3'-endo 106.9 101.8 102.1 12)G 12 -25.85 37.30 13.36 39.04 C3'-endo 106.9 101.8 102.1 Torsions Chi Gamma Delta Epsil Zeta Alpha Beta C1'-N C5'-C4' C4'-C3' C3'-O3' O3'-P P-O5' O5'-C5' 1)A 1 -165.69 47.43 83.45 -151.72 -73.59 -62.10 -179.87 2)C 2 -166.05 47.44 83.43 -151.67 -73.64 -62.09 -179.88 3)G 3 -165.80 47.44 83.45 -151.68 -73.64 -62.07 -179.88 4)U 4 -165.73 47.41 83.46 -151.73 -73.61 -62.07 -179.87 5)G 5 -165.80 47.43 83.45 -151.74 -73.59 -62.12 -179.87 6)C 6 -166.04 47.44 83.45 -151.70 -73.62 -62.10 -179.87 7)U 7 -165.74 47.44 83.43 -151.68 -73.61 -62.08 -179.87 8)C 8 -166.06 47.42 83.44 -151.69 -73.58 -62.08 -179.87 9)C 9 -166.06 47.43 83.45 -151.72 -73.62 -62.08 -179.87 10)G 10 -165.80 47.40 83.47 -151.75 -73.60 -62.10 -179.87 11)G 11 -165.81 47.42 83.43 -151.69 -73.60 -62.08 -179.87 12)G 12 -165.81 47.42 83.48 ...... ...... ...... ...... 2nd strand C1'-C2' C2'-C3' Phase Ampli Pucker C1' C2' C3' 1)U 24 -25.82 37.26 13.39 39.01 C3'-endo 106.9 101.8 102.1 2)G 23 -25.77 37.24 13.44 38.99 C3'-endo 106.9 101.8 102.1 3)C 22 -25.78 37.25 13.45 39.00 C3'-endo 106.9 101.8 102.1 4)A 21 -25.85 37.29 13.36 39.04 C3'-endo 106.8 101.8 102.1 5)C 20 -25.83 37.26 13.35 39.00 C3'-endo 106.9 101.8 102.1 6)G 19 -25.80 37.27 13.44 39.03 C3'-endo 106.9 101.8 102.1 7)A 18 -25.76 37.20 13.40 38.93 C3'-endo 106.9 101.8 102.1 8)G 17 -25.77 37.22 13.43 38.97 C3'-endo 106.9 101.8 102.1 9)G 16 -25.76 37.24 13.46 38.98 C3'-endo 106.9 101.9 102.1 10)C 15 -25.77 37.25 13.46 39.00 C3'-endo 106.9 101.8 102.1 11)C 14 -25.82 37.25 13.35 38.99 C3'-endo 106.9 101.8 102.1 12)C 13 -25.78 37.23 13.42 38.97 C3'-endo 106.9 101.8 102.1 Torsions Chi Gamma Delta Epsil Zeta Alpha Beta C1'-N C5'-C4' C4'-C3' C3'-O3' O3'-P P-O5' O5'-C5' 1)U 24 -165.73 47.43 83.45 ...... ...... ...... ...... 2)G 23 -165.80 47.43 83.49 -151.68 -73.66 -62.08 -179.87 3)C 22 -166.07 47.44 83.43 -151.72 -73.64 -62.07 -179.87 4)A 21 -165.69 47.44 83.42 -151.72 -73.60 -62.10 -179.88 5)C 20 -166.05 47.44 83.44 -151.64 -73.64 -62.07 -179.87 6)G 19 -165.81 47.43 83.46 -151.68 -73.69 -62.06 -179.87 7)A 18 -165.68 47.45 83.40 -151.66 -73.62 -62.07 -179.87 8)G 17 -165.81 47.46 83.39 -151.70 -73.59 -62.09 -179.88 9)G 16 -165.80 47.41 83.44 -151.70 -73.56 -62.12 -179.87 10)C 15 -166.06 47.43 83.46 -151.66 -73.68 -62.07 -179.87 11)C 14 -166.06 47.46 83.44 -151.68 -73.63 -62.08 -179.87 12)C 13 -166.05 47.44 83.42 -151.70 -73.62 -62.06 -179.87 ----------------------- |K| Groove parameters | ----------------------- Atom defining backbone: P 12 levels, 6 sub-levels Levels Minor groove Major groove i n Width Depth Angle Width Depth Angle Diam A 1 0 -- -- -- A -- -- -- -- 1 1 -- -- -- -- -- -- -- 1 2 -- -- -- -- -- -- -- 1 3 -- -- -- -- -- -- -- 1 4 -- -- -- -- -- -- -- 1 5 -- -- -- -- -- -- -- C 2 0 -- -- -- C -- -- -- -- 2 1 -- -- -- -- -- -- -- 2 2 11.05 -0.99 34 -- -- -- -- 2 3 11.04 -0.86 32 -- -- -- -- 2 4 11.05 -0.93 33 -- -- -- -- 2 5 11.07 -1.00 33 -- -- -- -- G 3 0 11.09 -1.13 36 G -- -- -- -- 3 1 11.07 -1.06 35 -- -- -- -- 3 2 11.05 -0.99 33 -- -- -- -- 3 3 11.04 -0.86 32 -- -- -- 17.41 3 4 11.05 -0.93 33 -- -- -- 17.41 3 5 11.07 -1.00 34 -- -- -- 17.41 U 4 0 11.09 -1.07 34 U -- -- -- 17.40 4 1 11.07 -1.07 35 -- -- -- 17.41 4 2 11.05 -0.99 34 -- -- -- 17.41 4 3 11.04 -0.86 32 -- -- -- 17.41 4 4 11.05 -0.93 33 -- -- -- 17.41 4 5 11.08 -1.00 34 -- -- -- 17.41 G 5 0 11.09 -1.14 36 G 4.00 9.63 33 17.40 5 1 11.07 -1.06 35 4.01 9.63 32 17.41 5 2 11.05 -1.00 33 4.03 9.66 31 17.41 5 3 11.04 -0.86 32 4.04 9.62 33 17.42 5 4 11.05 -0.93 33 4.03 9.62 32 17.41 5 5 11.08 -1.00 34 4.01 9.66 31 17.41 C 6 0 11.09 -1.07 34 C 3.99 9.63 33 17.41 6 1 11.07 -1.06 35 4.01 9.62 32 17.41 6 2 11.05 -1.00 34 4.03 9.65 31 17.41 6 3 11.04 -0.93 32 4.04 9.62 33 17.42 6 4 11.05 -0.93 33 4.03 9.62 32 17.41 6 5 11.07 -1.00 34 4.01 9.66 31 17.41 U 7 0 11.09 -1.07 34 U 4.00 9.63 33 17.41 7 1 11.07 -1.07 35 4.01 9.63 32 17.41 7 2 11.05 -1.00 34 4.03 9.66 31 17.41 7 3 11.04 -0.93 32 4.04 9.62 33 17.42 7 4 11.05 -0.93 33 4.03 9.62 32 17.41 7 5 11.08 -1.00 34 4.01 9.66 31 17.41 C 8 0 11.09 -1.07 34 C 4.00 9.62 33 17.40 8 1 11.07 -1.06 35 -- -- -- 17.41 8 2 11.05 -0.99 34 -- -- -- 17.41 8 3 11.04 -0.93 32 -- -- -- 17.41 8 4 11.05 -0.93 33 -- -- -- 17.41 8 5 11.07 -1.00 34 -- -- -- 17.41 C 9 0 11.09 -1.07 34 C -- -- -- 17.40 9 1 11.07 -1.06 35 -- -- -- 17.40 9 2 11.05 -0.99 34 -- -- -- 17.41 9 3 11.04 -0.86 32 -- -- -- 17.41 9 4 11.05 -0.93 33 -- -- -- -- 9 5 11.07 -1.00 34 -- -- -- -- G 10 0 11.09 -1.13 36 G -- -- -- -- 10 1 11.07 -1.06 35 -- -- -- -- 10 2 11.05 -0.99 33 -- -- -- -- 10 3 11.04 -0.86 32 -- -- -- -- 10 4 11.05 -0.93 33 -- -- -- -- 10 5 -- -- -- -- -- -- -- G 11 0 -- -- -- G -- -- -- -- 11 1 -- -- -- -- -- -- -- 11 2 -- -- -- -- -- -- -- 11 3 -- -- -- -- -- -- -- 11 4 -- -- -- -- -- -- -- 11 5 -- -- -- -- -- -- -- G 12 0 -- -- -- G -- -- -- --