*********************************** **************
****** CURVES 5.1 R.L. 1996 ***** * 13 Mar 97 *
*********************************** **************
FILE : dodec.pdb LIS : dick
dna : axin :
axout: daf :
PDB : dick
acc : 0.000 wid : 0.750 rad : 0.000 pit : 0.000
maxn : 500 ior : 0 ibond: 0 splin: 3 break: -1
nleve: 3 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 = 564 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'): CGCGAATTCGCG
Strand 2 has 12 bases (3'-5'): GCGCTTAAGCGC
FIRST SUM= 43.890 CPTS: 7.033 2.722 10.475 23.660
MINIMISATION: ACC = 0.100E-05 MAXN= 500 NVAR= 48
STEP 1 SUM= 43.890 DEL= 0.000E+00
STEP 2 SUM= 34.730 DEL= -0.916E+01
STEP 3 SUM= 30.018 DEL= -0.471E+01
STEP 4 SUM= 25.198 DEL= -0.482E+01
STEP 5 SUM= 21.230 DEL= -0.397E+01
STEP 6 SUM= 22.819 DEL= 0.159E+01
STEP 7 SUM= 19.577 DEL= -0.324E+01
STEP 8 SUM= 17.536 DEL= -0.204E+01
STEP 9 SUM= 19.895 DEL= 0.236E+01
STEP 10 SUM= 16.890 DEL= -0.301E+01
STEP 11 SUM= 16.153 DEL= -0.737E+00
STEP 12 SUM= 15.870 DEL= -0.282E+00
STEP 13 SUM= 15.486 DEL= -0.385E+00
STEP 14 SUM= 15.020 DEL= -0.466E+00
STEP 15 SUM= 14.579 DEL= -0.440E+00
STEP 16 SUM= 14.299 DEL= -0.281E+00
STEP 17 SUM= 13.847 DEL= -0.452E+00
STEP 18 SUM= 13.641 DEL= -0.206E+00
STEP 19 SUM= 14.055 DEL= 0.415E+00
STEP 20 SUM= 13.589 DEL= -0.466E+00
STEP 21 SUM= 13.510 DEL= -0.788E-01
STEP 22 SUM= 13.365 DEL= -0.145E+00
STEP 23 SUM= 13.001 DEL= -0.364E+00
STEP 24 SUM= 20.487 DEL= 0.749E+01
STEP 25 SUM= 12.984 DEL= -0.750E+01
STEP 26 SUM= 12.955 DEL= -0.290E-01
STEP 27 SUM= 12.924 DEL= -0.318E-01
STEP 28 SUM= 12.832 DEL= -0.916E-01
STEP 29 SUM= 12.753 DEL= -0.792E-01
STEP 30 SUM= 12.694 DEL= -0.586E-01
STEP 31 SUM= 12.700 DEL= 0.623E-02
STEP 32 SUM= 12.666 DEL= -0.341E-01
STEP 33 SUM= 12.626 DEL= -0.402E-01
STEP 34 SUM= 12.553 DEL= -0.729E-01
STEP 35 SUM= 12.409 DEL= -0.144E+00
STEP 36 SUM= 12.404 DEL= -0.540E-02
STEP 37 SUM= 12.299 DEL= -0.105E+00
STEP 38 SUM= 12.207 DEL= -0.918E-01
STEP 39 SUM= 12.139 DEL= -0.683E-01
STEP 40 SUM= 12.132 DEL= -0.740E-02
STEP 41 SUM= 12.120 DEL= -0.117E-01
STEP 42 SUM= 12.113 DEL= -0.746E-02
STEP 43 SUM= 12.110 DEL= -0.304E-02
STEP 44 SUM= 12.108 DEL= -0.172E-02
STEP 45 SUM= 12.107 DEL= -0.871E-03
STEP 46 SUM= 12.107 DEL= -0.989E-04
STEP 47 SUM= 12.107 DEL= -0.166E-03
STEP 48 SUM= 12.107 DEL= -0.165E-03
STEP 49 SUM= 12.107 DEL= 0.847E-05
STEP 50 SUM= 12.107 DEL= -0.157E-04
STEP 51 SUM= 12.107 DEL= -0.344E-05
STEP 52 SUM= 12.107 DEL= -0.343E-05
STEP 53 SUM= 12.107 DEL= -0.363E-05
STEP 54 SUM= 12.107 DEL= -0.816E-06
STEP 55 SUM= 12.107 DEL= 0.663E-07
STEP 56 SUM= 12.107 DEL= -0.269E-06
STEP 57 SUM= 12.107 DEL= -0.247E-07
STEP 58 SUM= 12.107 DEL= -0.253E-07
STEP 59 SUM= 12.107 DEL= -0.397E-08
STEP 60 SUM= 12.107 DEL= -0.332E-08
STEP 61 SUM= 12.107 DEL= -0.182E-08
STEP 62 SUM= 12.107 DEL= -0.449E-09
STEP 63 SUM= 12.107 DEL= -0.158E-09
STEP 64 SUM= 12.107 DEL= -0.156E-09
STEP 65 SUM= 12.107 DEL= -0.107E-10
STEP 66 SUM= 12.107 DEL= -0.117E-11
STEP 67 SUM= 12.107 DEL= 0.000E+00
STEP 68 SUM= 12.107 DEL= 0.178E-14
STEP 69 SUM= 12.107 DEL= -0.178E-14
FINAL SUM= 12.107 CPTS: 4.895 3.978 0.902 2.332
GRA= 0.20E-08-0.29E-09-0.20E-08-0.44E-09-0.32E-08-0.11E-08-0.18E-08-0.39E-09
GRA= 0.23E-09 0.13E-08-0.11E-08-0.82E-10-0.35E-08 0.43E-09 0.12E-08 0.18E-09
GRA= 0.24E-08-0.25E-09 0.15E-08-0.59E-09 0.15E-09 0.44E-08 0.25E-08-0.76E-09
GRA=-0.39E-08-0.44E-08 0.13E-08-0.89E-09 0.26E-08 0.31E-08 0.12E-08-0.53E-09
GRA=-0.27E-08 0.22E-08 0.10E-08-0.64E-09 0.27E-08 0.11E-08-0.26E-09-0.54E-09
GRA= 0.22E-10-0.13E-08-0.66E-09 0.56E-09-0.27E-09 0.17E-08-0.92E-09 0.23E-08
----------------------------
|A| Global axis parameters |
----------------------------
1) U: -0.973 -0.164 0.162 P: 18.322 1.609 -1.487 D: 0.696
2) U: -0.981 -0.126 0.149 P: 14.839 0.946 -1.029 D: 0.768
3) U: -0.973 -0.181 0.146 P: 11.325 0.676 -0.436 D: 1.713
4) U: -0.992 -0.072 0.103 P: 8.439 -0.014 -0.193 D: 0.586
5) U: -0.993 -0.071 0.097 P: 5.013 -0.257 0.173 D: 0.306
6) U: -0.996 -0.060 0.062 P: 1.710 -0.393 0.341 D: 0.506
7) U: -0.999 -0.023 0.040 P: -1.744 -0.500 0.217 D: 0.220
8) U: -1.000 -0.014 0.026 P: -5.109 -0.355 0.292 D: 0.344
9) U: -1.000 0.002 0.013 P: -8.561 -0.403 0.290 D: 2.408
10) U: -0.998 -0.018 0.063 P: -11.610 -0.286 0.840 D: 2.903
11) U: -0.997 -0.008 -0.071 P: -15.353 -0.444 0.181 D: 1.656
12) U: -0.999 -0.003 -0.032 P: -18.493 -0.190 0.287
---------------------------------
|B| Global Base-Axis Parameters |
---------------------------------
1st strand Xdisp Ydisp Inclin Tip Bc Tc
(dx) (dy) (eta) (theta)
1) CYTA 1 -1.10 0.09 7.15 -7.42 3 0
2) GUAA 2 -0.80 0.05 2.15 -6.93 1 13
3) CYTA 3 -0.64 -0.04 -0.41 -7.53 3 -13
4) GUAA 4 -0.72 0.17 8.81 -8.87 1 10
5) ADEA 5 -0.58 0.15 0.54 -15.48 2 18
6) ADEA 6 -0.77 0.15 -3.92 -15.02 2 24
7) THYA 7 -0.39 -0.08 -6.32 -12.98 4 -24
8) THYA 8 -0.57 -0.12 -4.31 -12.38 4 -18
9) CYTA 9 -0.52 -0.18 -5.96 -11.43 3 -10
10) GUAA 10 0.31 0.16 1.39 2.56 1 13
11) CYTA 11 -0.51 0.16 -3.33 -13.79 3 -13
12) GUAA 12 -0.30 0.09 2.85 -5.17 1 0
2nd strand Xdisp Ydisp Inclin Tip Bc Tc
(dx) (dy) (eta) (theta)
1) GUAA 24 -0.12 -0.28 3.47 -8.87 1 0
2) CYTA 23 -0.73 -0.20 5.30 -5.80 3 -13
3) GUAA 22 -0.29 -0.08 7.49 3.62 1 13
4) CYTA 21 -0.61 -0.41 -1.35 -7.73 3 -10
5) THYA 20 -0.92 -0.33 -3.85 -10.51 4 -18
6) THYA 19 -0.70 -0.12 -7.55 -10.77 4 -24
7) ADEA 18 -0.66 0.03 -5.57 -12.06 2 24
8) ADEA 17 -0.59 -0.01 -2.35 -15.39 2 18
9) GUAA 16 -0.30 0.10 5.86 -14.13 1 10
10) CYTA 15 -0.19 -0.29 -1.84 -11.89 3 -13
11) GUAA 14 -0.60 -0.29 1.62 -12.65 1 13
12) CYTA 13 0.00 -0.02 -4.05 -0.40 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) C 1-G 24 -0.61 0.18 5.31 0.73 3 0
2) G 2-C 23 -0.77 0.12 3.73 -0.56 1 13
3) C 3-G 22 -0.46 0.02 3.54 -5.58 3 -13
4) G 4-C 21 -0.66 0.29 3.73 -0.57 1 10
5) A 5-T 20 -0.75 0.24 -1.66 -2.48 2 18
6) A 6-T 19 -0.74 0.13 -5.74 -2.12 2 24
7) T 7-A 18 -0.53 -0.06 -5.95 -0.46 4 -24
8) T 8-A 17 -0.58 -0.06 -3.33 1.50 4 -18
9) C 9-G 16 -0.41 -0.14 -0.05 1.35 3 -10
10) G 10-C 15 0.06 0.22 -0.23 7.23 1 13
11) C 11-G 14 -0.56 0.23 -0.86 -0.57 3 -13
12) G 12-C 13 -0.15 0.06 -0.60 -2.39 1 0
Average: -0.51 0.10 -0.17 -0.33
---------------------------------
|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) C 1-G 24 -0.98 -0.19 -0.14 3.68 -16.29 -4.94 3 0
2) G 2-C 23 -0.07 -0.16 0.07 -3.15 -12.73 -5.91 1 13
3) C 3-G 22 -0.34 -0.12 0.11 -7.89 -3.91 -2.14 3 -13
4) G 4-C 21 -0.12 -0.24 -0.25 10.16 -16.60 0.96 1 10
5) A 5-T 20 0.34 -0.18 0.01 4.39 -25.99 1.71 2 18
6) A 6-T 19 -0.06 0.03 0.22 3.62 -25.79 4.94 2 24
7) T 7-A 18 0.28 -0.05 0.07 -0.74 -25.04 9.68 4 -24
8) T 8-A 17 0.02 -0.12 -0.07 -1.97 -27.77 2.55 4 -18
9) C 9-G 16 -0.22 -0.08 -0.11 -11.82 -25.56 0.16 3 -10
10) G 10-C 15 0.50 -0.13 0.25 3.23 -9.33 2.58 1 13
11) C 11-G 14 0.09 -0.13 0.46 -4.95 -26.44 -8.00 3 -13
12) G 12-C 13 -0.30 0.07 0.34 6.90 -5.56 -5.13 1 0
Average: -0.07 -0.11 0.08 0.12 -18.42 -0.30
----------------------------------
|E| Global Inter-Base Parameters |
----------------------------------
1st strand Shift Slide Rise Tilt Roll Twist Dc
(Dx) (Dy) (Dz) (tau) (rho) (Omega)
2) C 1/G 2 0.13 -0.06 3.68 -7.03 1.73 43.25 8
3) G 2/C 3 0.45 -0.15 3.59 -2.69 -3.80 37.82 5
4) C 3/G 4 -0.29 0.49 2.78 10.48 5.36 30.82 8
5) G 4/A 5 0.12 -0.03 3.59 -8.34 -6.29 39.95 2
6) A 5/A 6 -0.11 -0.11 3.41 -3.33 2.22 36.57 4
7) A 6/T 7 0.55 -0.48 3.37 -0.06 1.28 36.57 7
8) T 7/T 8 -0.38 -0.10 3.30 2.86 0.16 30.66 -4
9) T 8/C 9 0.04 -0.13 3.43 -1.46 -0.24 37.91 -2
10) C 9/G 10 1.17 0.63 3.25 7.29 17.06 34.96 8
11) G 10/C 11 -1.47 0.04 3.86 -6.98 -23.67 33.08 5
12) C 11/G 12 0.59 -0.09 3.07 7.69 10.26 35.72 8
2nd strand Shift Slide Rise Tilt Roll Twist Dc
(Dx) (Dy) (Dz) (tau) (rho) (Omega)
2) G 24/C 23 -0.78 0.09 3.47 -0.19 1.83 44.22 8
3) C 23/G 22 0.72 0.19 3.54 2.05 12.61 34.05 5
4) G 22/C 21 -0.51 -0.61 3.14 -7.57 -18.04 27.72 8
5) C 21/T 20 -0.33 0.10 3.32 -2.57 -3.11 39.19 -2
6) T 20/T 19 0.29 0.31 3.20 -2.56 -2.02 33.34 -4
7) T 19/A 18 0.21 0.41 3.52 4.30 -0.53 31.82 7
8) A 18/A 17 -0.13 0.02 3.43 4.09 -2.89 37.80 4
9) A 17/G 16 0.28 0.18 3.47 8.40 2.44 40.30 2
10) G 16/C 15 0.45 -0.69 2.89 -7.77 -0.82 32.54 8
11) C 15/G 14 -1.06 -0.04 3.65 1.21 6.57 43.66 5
12) G 14/C 13 0.98 0.30 3.19 -4.16 10.61 32.84 8
---------------------------------------
|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) C 1/G 2 -0.33 -0.08 3.57 -3.61 -0.05 43.73 8
3) G 2/C 3 0.58 -0.17 3.56 -0.32 -8.21 35.93 5
4) C 3/G 4 -0.40 0.55 2.96 1.46 11.70 29.27 8
5) G 4/A 5 -0.11 -0.06 3.45 -5.46 -1.59 39.57 2
6) A 5/A 6 0.09 -0.21 3.31 -2.95 2.12 34.96 4
7) A 6/T 7 0.38 -0.45 3.45 2.12 0.90 34.20 7
8) T 7/T 8 -0.26 -0.06 3.36 3.47 1.52 34.23 -4
9) T 8/C 9 0.16 -0.16 3.45 3.47 -1.34 39.11 -2
10) C 9/G 10 0.81 0.66 3.07 -0.24 8.94 33.75 8
11) G 10/C 11 -1.27 0.04 3.76 -2.88 -15.12 38.37 5
12) C 11/G 12 0.78 -0.19 3.13 1.76 -0.17 34.28 8
Average: 0.04 -0.01 3.37 -0.29 -0.12 36.13
---------------------------------
|G| Local Inter-Base Parameters |
---------------------------------
1st strand Shift Slide Rise Tilt Roll Twist Dc
(Dx) (Dy) (Dz) (tau) (rho) (Omega)
2) C 1/G 2 0.55 -0.50 3.70 -1.44 5.02 43.59 8
3) G 2/C 3 0.88 -0.55 3.48 2.26 -3.20 37.89 5
4) C 3/G 4 0.01 0.33 2.89 14.33 7.57 28.66 8
5) G 4/A 5 0.80 -0.13 3.53 0.56 -2.69 40.62 2
6) A 5/A 6 0.70 -0.64 3.35 6.52 1.10 36.18 4
7) A 6/T 7 1.26 -1.15 3.07 8.65 -2.17 35.32 7
8) T 7/T 8 0.35 -0.63 3.25 9.33 -2.70 29.20 -4
9) T 8/C 9 0.80 -0.78 3.28 6.28 -3.61 37.18 -2
10) C 9/G 10 1.32 0.30 3.26 9.80 14.95 34.80 8
11) G 10/C 11 -1.14 0.08 4.07 -3.53 -23.56 34.14 5
12) C 11/G 12 0.94 -0.41 3.00 13.10 9.70 34.31 8
2nd strand Shift Slide Rise Tilt Roll Twist Dc
(Dx) (Dy) (Dz) (tau) (rho) (Omega)
2) G 24/C 23 -1.34 -0.12 3.36 -5.74 1.78 43.61 8
3) C 23/G 22 0.53 -0.03 3.57 1.21 -8.43 34.32 5
4) G 22/C 21 -0.67 0.47 3.23 -8.47 19.10 27.44 8
5) C 21/T 20 -1.03 -0.77 3.19 -8.50 1.20 38.35 -2
6) T 20/T 19 -0.38 -1.07 3.13 -8.50 -1.23 32.38 -4
7) T 19/A 18 -0.47 -1.15 3.38 -1.98 -2.96 31.78 7
8) A 18/A 17 -0.91 -0.70 3.26 -4.96 0.19 37.58 4
9) A 17/G 16 -0.63 -0.37 3.43 -2.42 -1.15 41.09 2
10) G 16/C 15 -0.19 0.65 2.92 -14.54 2.02 30.05 8
11) C 15/G 14 -1.95 -0.26 3.27 -8.29 -6.63 42.87 5
12) G 14/C 13 0.55 -0.44 3.30 -7.57 -10.85 32.41 8
--------------------------------------
|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) C 1/G 2 -0.42 -0.35 3.62 -3.54 3.29 43.98 8
3) G 2/C 3 0.70 -0.30 3.54 1.83 -5.85 36.02 5
4) C 3/G 4 -0.32 0.40 3.05 3.00 13.37 27.92 8
5) G 4/A 5 -0.14 -0.45 3.48 -4.01 -0.75 39.94 2
6) A 5/A 6 0.14 -0.84 3.29 -1.05 0.14 35.16 4
7) A 6/T 7 0.42 -1.09 3.35 3.39 -2.21 34.43 7
8) T 7/T 8 -0.27 -0.63 3.32 2.32 -0.88 34.30 -4
9) T 8/C 9 0.10 -0.57 3.44 2.00 -2.37 40.23 -2
10) C 9/G 10 0.55 0.49 3.14 -2.52 8.70 32.27 8
11) G 10/C 11 -1.58 -0.10 3.67 -6.24 -15.13 38.96 5
12) C 11/G 12 0.75 -0.44 3.12 3.38 -1.16 33.49 8
Average: -0.01 -0.35 3.37 -0.13 -0.26 36.06
---------------------------
|I| Global Axis Curvature |
---------------------------
Duplex Ax Ay Ainc Atip Adis Angle Path Dc
2) C 1/G 2 -0.17 -0.02 -2.03 1.24 0.17 2.38 3.57 8
3) G 2/C 3 0.28 -0.07 -0.13 -3.19 0.29 3.19 3.57 5
4) C 3/G 4 -0.20 0.28 1.27 6.69 0.34 6.81 2.98 8
5) G 4/A 5 -0.02 -0.01 -0.07 0.32 0.02 0.33 3.45 2
6) A 5/A 6 0.07 -0.10 1.13 1.76 0.13 2.10 3.31 4
7) A 6/T 7 0.17 -0.25 2.33 -0.76 0.30 2.45 3.46 7
8) T 7/T 8 -0.20 -0.06 0.86 -0.44 0.21 0.96 3.37 -4
9) T 8/C 9 -0.01 -0.07 0.19 -1.19 0.08 1.20 3.45 -2
10) C 9/G 10 0.34 0.30 -0.06 3.06 0.46 3.06 3.10 8
11) G 10/C 11 -0.65 0.03 -2.25 -7.32 0.65 7.66 3.80 5
12) C 11/G 12 0.38 -0.02 1.51 1.64 0.38 2.23 3.15 8
Duplex Offset Angle= 14.6 Dirn= 114.2
1) C 1 0.00
2) G 2 0.57
3) C 3 0.93
4) G 4 1.40
5) A 5 1.58
6) A 6 1.57
7) T 7 1.34
8) T 8 1.04
9) C 9 0.85
10) G 10 0.98
11) C 11 0.41
12) G 12 0.00
Path length= 37.23 End-to-end= 36.90 Shortening= 0.87 %
-------------------------
|J| Backbone Parameters |
-------------------------
1st strand C1'-C2' C2'-C3' Phase Ampli Pucker C1' C2' C3'
1)CYTA 1 54.54 -52.46 161.67 56.56 C2'-endo 100.5 96.8 97.3
2)GUAA 2 42.15 -31.91 139.60 42.50 C1'-exo 101.0 103.1 101.2
3)CYTA 3 23.12 -1.53 92.21 38.85 O1'-endo 104.2 104.7 104.5
4)GUAA 4 46.18 -47.08 167.11 49.84 C2'-endo 104.6 97.0 100.1
5)ADEA 5 44.30 -28.53 128.34 46.77 C1'-exo 101.2 101.2 103.2
6)ADEA 6 47.30 -29.77 127.32 50.05 C1'-exo 100.0 100.6 102.9
7)THYA 7 33.86 -8.79 100.89 47.80 O1'-endo 102.5 102.1 104.1
8)THYA 8 42.34 -21.16 115.95 49.16 C1'-exo 100.3 101.6 104.2
9)CYTA 9 45.62 -35.28 140.78 46.30 C1'-exo 101.6 99.8 103.1
10)GUAA 10 54.84 -44.30 146.58 54.98 C2'-endo 102.1 94.9 101.8
11)CYTA 11 47.39 -39.67 147.46 47.98 C2'-endo 101.9 98.5 102.8
12)GUAA 12 44.50 -21.19 114.47 52.34 C1'-exo 100.2 100.8 103.3
Torsions Chi Gamma Delta Epsil Zeta Alpha Beta
C1'-N C5'-C4' C4'-C3' C3'-O3' O3'-P P-O5' O5'-C5'
1)CYTA 1 -105.20 173.80 156.59 -141.38 -143.56 -65.66 169.89
2)GUAA 2 -111.06 40.26 128.26 173.99 -97.98 -62.95 171.70
3)CYTA 3 -135.15 58.92 98.57 -176.90 -87.34 -63.05 -179.61
4)GUAA 4 -93.22 57.21 155.62 -155.23 -152.40 -42.87 142.60
5)ADEA 5 -126.45 52.35 120.03 179.91 -92.81 -72.83 179.58
6)ADEA 6 -121.98 65.72 121.35 173.83 -88.73 -56.68 -178.74
7)THYA 7 -126.92 51.95 99.26 173.32 -85.92 -59.51 174.03
8)THYA 8 -125.78 63.72 109.09 171.05 -89.64 -58.28 -179.77
9)CYTA 9 -119.00 60.71 128.42 -157.13 -93.58 -67.78 169.18
10)GUAA 10 -89.53 47.59 142.74 -103.56 150.30 -73.44 139.14
11)CYTA 11 -125.07 55.91 136.03 -161.96 -89.73 -81.60 175.97
12)GUAA 12 -111.82 57.36 110.03 ...... ...... ...... ......
2nd strand C1'-C2' C2'-C3' Phase Ampli Pucker C1' C2' C3'
1)GUAA 24 -16.89 37.72 33.90 46.53 C3'-endo 106.8 102.0 99.7
2)CYTA 23 38.88 -19.84 117.21 44.24 C1'-exo 102.3 103.1 103.5
3)GUAA 22 51.18 -47.14 157.00 52.60 C2'-endo 103.1 95.7 101.5
4)CYTA 21 36.44 -16.83 113.53 42.97 C1'-exo 102.4 103.3 103.9
5)THYA 20 48.23 -32.07 130.39 50.41 C1'-exo 100.0 99.5 102.8
6)THYA 19 41.95 -21.06 116.97 47.65 C1'-exo 101.8 101.7 103.8
7)ADEA 18 43.63 -35.54 146.69 43.56 C2'-endo 103.0 101.3 101.3
8)ADEA 17 39.23 -41.19 168.76 42.89 C2'-endo 104.3 100.9 100.6
9)GUAA 16 40.57 -35.62 150.22 41.40 C2'-endo 102.4 101.1 103.5
10)CYTA 15 9.38 16.99 67.32 44.48 C4'-exo 106.5 104.0 102.8
11)GUAA 14 42.22 -27.94 128.71 44.91 C1'-exo 100.6 101.6 104.2
12)CYTA 13 43.32 -39.01 153.45 44.23 C2'-endo 102.4 100.3 102.4
Torsions Chi Gamma Delta Epsil Zeta Alpha Beta
C1'-N C5'-C4' C4'-C3' C3'-O3' O3'-P P-O5' O5'-C5'
1)GUAA 24 -135.03 46.19 79.13 ...... ...... ...... ......
2)CYTA 23 -125.32 44.75 112.76 -174.17 -96.50 -65.56 171.25
3)GUAA 22 -88.71 49.98 149.87 -100.23 171.69 -72.29 138.53
4)CYTA 21 -114.44 44.79 110.32 -176.52 -86.45 -66.98 179.63
5)THYA 20 -120.66 55.12 122.63 178.50 -94.14 -59.45 -175.18
6)THYA 19 -131.51 59.41 109.24 178.95 -87.96 -58.93 -179.82
7)ADEA 18 -107.86 47.72 130.35 174.40 -101.25 -58.19 173.67
8)ADEA 17 -106.24 53.51 147.00 176.82 -97.30 -56.99 -173.62
9)GUAA 16 -114.56 73.28 135.78 174.12 -98.45 -56.49 -169.77
10)CYTA 15 -133.59 59.70 86.10 174.79 -85.68 -68.74 170.50
11)GUAA 14 -116.71 48.71 121.71 177.95 -93.04 -62.60 168.85
12)CYTA 13 -127.42 55.81 136.72 -158.47 -125.19 -51.10 163.76
-----------------------
|K| Groove parameters |
-----------------------
Atom defining backbone: P 12 levels, 3 sub-levels
Levels Minor groove Major groove
i n Width Depth Angle Width Depth Angle Diam
C 1 0 -- -- -- C -- -- -- --
1 1 -- -- -- -- -- -- --
1 2 -- -- -- -- -- -- --
1 3 -- -- -- -- -- -- 18.47
G 2 0 -- -- -- G -- -- -- 18.49
2 1 -- -- -- -- -- -- 18.56
2 2 -- -- -- -- -- -- 18.67
2 3 -- -- -- -- -- -- 18.77
C 3 0 8.64 4.96 33 C -- -- -- 18.79
3 1 8.20 5.02 27 -- -- -- 18.72
3 2 7.76 4.84 28 -- -- -- 18.59
G 4 0 7.31 4.67 35 G 11.27 5.29 32 18.52
4 1 6.80 4.75 37 11.30 5.32 33 18.53
4 2 6.30 4.92 34 11.43 5.26 34 18.55
4 3 5.73 4.75 42 11.50 5.22 34 18.52
A 5 0 5.21 4.89 39 A 11.55 5.37 32 18.50
5 1 4.86 4.92 39 11.40 5.98 21 18.64
5 2 4.56 4.95 37 11.04 5.82 20 18.80
5 3 4.31 4.96 35 10.69 5.63 23 18.87
A 6 0 4.14 4.97 33 A 10.48 5.41 25 18.89
6 1 4.08 5.10 32 10.45 5.32 23 18.95
6 2 4.08 5.32 28 10.43 5.02 26 19.01
6 3 4.06 5.47 29 10.44 4.89 25 19.01
T 7 0 3.95 5.56 29 T 10.56 4.64 27 18.95
7 1 3.59 5.60 25 10.88 4.92 22 18.89
7 2 3.25 5.60 24 11.36 4.67 28 18.79
7 3 3.05 5.50 28 11.77 4.15 37 18.68
T 8 0 3.10 5.43 33 T 12.07 4.05 39 18.51
8 1 3.53 5.33 40 12.32 3.01 48 18.31
8 2 4.21 5.20 45 12.40 1.89 56 18.20
8 3 4.99 5.10 42 12.48 2.28 53 18.09
C 9 0 4.66 5.64 16 C 12.30 3.65 41 18.11
9 1 4.17 5.86 16 12.05 3.59 40 18.25
9 2 4.01 6.21 17 11.85 3.07 42 18.43
9 3 -- -- -- -- -- -- 18.57
G 10 0 -- -- -- G -- -- -- 18.61
10 1 -- -- -- -- -- -- 18.51
10 2 -- -- -- -- -- -- 18.28
10 3 -- -- -- -- -- -- 18.01
C 11 0 -- -- -- C -- -- -- 18.29
11 1 -- -- -- -- -- -- --
11 2 -- -- -- -- -- -- --
11 3 -- -- -- -- -- -- --
G 12 0 -- -- -- G -- -- -- --