Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.cmm.msu.ru/~xenia_l/rna_old.out Дата изменения: Sun Sep 27 14:47:55 2009 Дата индексирования: Tue Oct 2 00:27:52 2012 Кодировка:

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This structure has broken O3'[i] to P[i+1] linkages
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3DNA (v1.5, Nov. 2002) by Xiang-Jun Lu at Wilma K. Olson's Lab.
****************************************************************************
1. The list of the parameters given below correspond to the 5' to 3' direction
of strand I and 3' to 5' direction of strand II.

2. All angular parameters, except for the phase angle of sugar pseudo-
rotation, are measured in degrees in the range of [-180, +180], and all
displacements are measured in Angstrom units.
****************************************************************************
File name: rna_old.pdb
Date and time: Sun Sep 27 14:47:55 2009

Number of base-pairs: 53
Number of atoms: 3208
****************************************************************************
HEADER COMPLEX (METHYLTRANSFERASE/TRNA) 29-JUL-98 2FMT
COMPND FORMYL-METHIONYL-TRNAFMET2;
EXPDTA X-RAY DIFFRACTION
****************************************************************************
RMSD of the bases (----- for WC bp, + for isolated bp, x for helix change)

Strand I Strand II Helix
1 (0.017) C:...2_:[..G]G-----C[..C]:..71_:C (0.004) |
2 (0.006) C:...3_:[..C]C-----G[..G]:..70_:C (0.006) |
3 (0.008) C:...4_:[..G]G-----C[..C]:..69_:C (0.005) |
4 (0.004) C:...5_:[..G]G-----C[..C]:..68_:C (0.014) |
5 (0.009) C:...6_:[..G]G-----C[..C]:..67_:C (0.009) |
6 (0.006) C:...7_:[..G]Gx----C[..C]:..66_:C (0.003) |
7 (0.005) C:..49_:[..G]G-----C[..C]:..65_:C (0.006) |
8 (0.009) C:..50_:[..U]U-*---G[..G]:..64_:C (0.007) |
9 (0.006) C:..51_:[..C]C-----G[..G]:..63_:C (0.006) |
10 (0.015) C:..52_:[..G]G-----C[..C]:..62_:C (0.002) |
11 (0.009) C:..53_:[..G]G----xC[..C]:..61_:C (0.010) |
12 (0.013) C:..54_:[5MU]u-**-xA[..A]:..58_:C (0.005) |
13 (0.043) C:..55_:[PSU]Px**+xG[..G]:..18_:C (0.007) x
14 (0.004) C:..22_:[..G]G-----C[..C]:..13_:C (0.009) |
15 (0.005) C:..23_:[..C]C-----G[..G]:..12_:C (0.007) |
16 (0.008) C:..24_:[..U]U-----A[..A]:..11_:C (0.005) |
17 (0.007) C:..25_:[..C]C----xG[..G]:..10_:C (0.015) |
18 (0.010) C:..26_:[..G]G-*---A[..A]:..44_:C (0.012) |
19 (0.006) C:..27_:[..U]U-----A[..A]:..43_:C (0.004) |
20 (0.005) C:..28_:[..C]C-----G[..G]:..42_:C (0.007) |
21 (0.006) C:..29_:[..G]G-----C[..C]:..41_:C (0.004) |
22 (0.008) C:..30_:[..G]G-----C[..C]:..40_:C (0.006) |
23 (0.013) C:..31_:[..G]Gx---xC[..C]:..39_:C (0.005) x
24 (0.007) C:..15_:[..G]Gx**+xC[..C]:..48_:C (0.006) +
25 (0.019) C:..19_:[..G]Gx---xC[..C]:..56_:C (0.004) +
26 (0.005) C:..33_:[..U]Ux*--xA[..A]:..35_:C (0.005) +
27 (0.012) D:...2_:[..G]G-----C[..C]:..71_:D (0.007) |
28 (0.007) D:...3_:[..C]C-----G[..G]:..70_:D (0.011) |
29 (0.014) D:...4_:[..G]G-----C[..C]:..69_:D (0.007) |
30 (0.005) D:...5_:[..G]G-----C[..C]:..68_:D (0.010) |
31 (0.005) D:...6_:[..G]G-----C[..C]:..67_:D (0.005) |
32 (0.006) D:...7_:[..G]Gx----C[..C]:..66_:D (0.005) |
33 (0.007) D:..49_:[..G]G-----C[..C]:..65_:D (0.007) |
34 (0.010) D:..50_:[..U]U-*---G[..G]:..64_:D (0.003) |
35 (0.004) D:..51_:[..C]C-----G[..G]:..63_:D (0.008) |
36 (0.009) D:..52_:[..G]G-----C[..C]:..62_:D (0.007) |
37 (0.012) D:..53_:[..G]G----xC[..C]:..61_:D (0.009) |
38 (0.011) D:..54_:[5MU]u-**-xA[..A]:..58_:D (0.005) |
39 (0.043) D:..55_:[PSU]Px**+xG[..G]:..18_:D (0.006) x
40 (0.007) D:..22_:[..G]G-----C[..C]:..13_:D (0.006) |
41 (0.005) D:..23_:[..C]C-----G[..G]:..12_:D (0.008) |
42 (0.012) D:..24_:[..U]U-----A[..A]:..11_:D (0.009) |
43 (0.013) D:..25_:[..C]C----xG[..G]:..10_:D (0.006) |
44 (0.009) D:..26_:[..G]G-*---A[..A]:..44_:D (0.007) |
45 (0.008) D:..27_:[..U]U-----A[..A]:..43_:D (0.005) |
46 (0.009) D:..28_:[..C]C-----G[..G]:..42_:D (0.008) |
47 (0.005) D:..29_:[..G]G-----C[..C]:..41_:D (0.009) |
48 (0.015) D:..30_:[..G]G-----C[..C]:..40_:D (0.006) |
49 (0.011) D:..31_:[..G]Gx---xC[..C]:..39_:D (0.008) x
50 (0.010) D:..15_:[..G]G-**+xC[..C]:..48_:D (0.006) |
51 (0.008) D:..16_:[..C]Cx**+xA[..A]:..59_:D (0.004) x
52 (0.008) D:..19_:[..G]Gx---xC[..C]:..56_:D (0.004) +
53 (0.010) D:..33_:[..U]U-*---A[..A]:..35_:D (0.009) +

Note: This structure contains 13[7] non-Watson-Crick base-pairs.
****************************************************************************
Detailed H-bond information: atom-name pair and length [ON]
1 G-----C [3] O6 - N4 2.74 N1 - N3 2.90 N2 - O2 2.92
2 C-----G [3] O2 - N2 2.89 N3 - N1 2.91 N4 - O6 2.84
3 G-----C [3] O6 - N4 3.43 N1 - N3 2.95 N2 - O2 2.39
4 G-----C [3] O6 - N4 3.64 N1 - N3 3.23 N2 - O2 2.73
5 G-----C [3] O6 - N4 3.32 N1 - N3 3.07 N2 - O2 2.67
6 G-----C [3] O6 - N4 3.70 N1 - N3 3.50 N2 - O2 3.17
7 G-----C [3] O6 - N4 3.19 N1 - N3 3.15 N2 - O2 2.97
8 U-*---G [2] O2 - N1 2.80 N3 - O6 3.07
9 C-----G [3] O2 - N2 2.59 N3 - N1 2.86 N4 - O6 3.02
10 G-----C [3] O6 - N4 3.48 N1 - N3 3.33 N2 - O2 3.06
11 G-----C [3] O6 - N4 3.04 N1 - N3 3.21 N2 - O2 3.23
12 u-**--A [2] O2 - N6 3.20 O4 * N7 2.90
13 P-**+-G [1] O4 * N2 3.64
14 G-----C [3] O6 - N4 2.91 N1 - N3 2.94 N2 - O2 2.88
15 C-----G [3] O2 - N2 2.66 N3 - N1 2.85 N4 - O6 2.98
16 U-----A [2] N3 - N1 2.85 O4 - N6 3.05
17 C-----G [3] O2 - N2 2.84 N3 - N1 3.04 N4 - O6 3.14
18 G-*---A [2] O6 - N6 3.00 N1 - N1 2.88
19 U-----A [2] N3 - N1 2.77 O4 - N6 2.76
20 C-----G [3] O2 - N2 3.09 N3 - N1 2.98 N4 - O6 2.93
21 G-----C [3] O6 - N4 3.14 N1 - N3 3.01 N2 - O2 2.81
22 G-----C [3] O6 - N4 3.02 N1 - N3 2.93 N2 - O2 2.80
23 G-----C [3] O6 - N4 2.48 N1 - N3 2.60 N2 - O2 2.64
24 G-**+-C [2] N1 - O2 3.00 N2 - N3 2.83
25 G-----C [2] N1 * N4 3.86 N2 - N3 3.23
26 U-*---A [3] O2 * N7 2.94 N3 - O2P 2.96 O4 * O1P 3.79
27 G-----C [3] O6 - N4 2.62 N1 - N3 2.68 N2 - O2 2.63
28 C-----G [3] O2 - N2 2.85 N3 - N1 2.92 N4 - O6 2.90
29 G-----C [3] O6 - N4 3.48 N1 - N3 3.07 N2 - O2 2.56
30 G-----C [3] O6 - N4 3.60 N1 - N3 3.18 N2 - O2 2.66
31 G-----C [3] O6 - N4 3.54 N1 - N3 3.12 N2 - O2 2.56
32 G-----C [3] O6 - N4 3.48 N1 - N3 3.36 N2 - O2 3.12
33 G-----C [2] N1 * N4 3.14 N2 - N3 3.03
34 U-*---G [2] O2 - N1 2.66 N3 - O6 2.96
35 C-----G [3] O2 - N2 2.75 N3 - N1 3.17 N4 - O6 3.45
36 G-----C [3] O6 - N4 3.36 N1 - N3 3.31 N2 - O2 3.18
37 G-----C [3] O6 - N4 3.35 N1 - N3 3.45 N2 - O2 3.42
38 u-**--A [2] O2 - N6 3.28 O4 * N7 2.97
39 P-**+-G [1] O4 * N2 3.08
40 G-----C [2] O6 * N3 2.91 N1 - O2 2.93
41 C-----G [3] O2 - N2 2.65 N3 - N1 2.84 N4 - O6 2.97
42 U-----A [2] N3 - N1 2.71 O4 - N6 2.90
43 C-----G [3] O2 - N2 2.86 N3 - N1 3.04 N4 - O6 3.07
44 G-*---A [2] O6 - N6 2.91 N1 - N1 2.85
45 U-----A [2] N3 - N1 2.83 O4 - N6 2.92
46 C-----G [3] O2 - N2 2.88 N3 - N1 3.02 N4 - O6 3.16
47 G-----C [3] O6 - N4 3.06 N1 - N3 2.90 N2 - O2 2.67
48 G-----C [3] O6 - N4 3.14 N1 - N3 3.00 N2 - O2 2.74
49 G-----C [3] O6 - N4 2.88 N1 - N3 2.92 N2 - O2 2.81
50 G-**+-C [2] N1 - O2 3.13 N2 - N3 2.93
51 C-**+-A [2] O4'* N1 3.32 O2 * N3 3.56
52 G-----C [2] N1 * N4 3.79 N2 - N3 3.47
53 U-*---A [4] O2'- N7 2.50 N1 * O2P 3.07 O2 * O5' 3.28 N3 - O1P 3.86
****************************************************************************
Overlap area in Angstrom^2 between polygons defined by atoms on successive
bases. Polygons projected in the mean plane of the designed base-pair step.

Values in parentheses measure the overlap of base ring atoms only. Those
outside parentheses include exocyclic atoms on the ring. Intra- and
inter-strand overlap is designated according to the following diagram:

i2 3' 5' j2
/|\ |
| |
Strand I | | II
| |
| |
| \|/
i1 5' 3' j1

step i1-i2 i1-j2 j1-i2 j1-j2 sum
1 GC/GC 3.12( 1.31) 0.00( 0.00) 0.00( 0.00) 3.93( 1.84) 7.05( 3.15)
2 CG/CG 0.41( 0.03) 0.00( 0.00) 3.52( 0.90) 0.00( 0.00) 3.93( 0.93)
3 GG/CC 2.17( 0.75) 0.00( 0.00) 0.82( 0.00) 0.00( 0.00) 2.99( 0.75)
4 GG/CC 2.82( 1.24) 0.00( 0.00) 1.22( 0.00) 0.00( 0.00) 4.03( 1.24)
5 GG/CC 1.92( 0.53) 0.00( 0.00) 0.27( 0.00) 0.04( 0.00) 2.22( 0.53)
6 GG/CC 2.54( 1.05) 0.00( 0.00) 0.02( 0.00) 0.06( 0.00) 2.62( 1.05)
7 GU/GC 5.43( 2.45) 0.00( 0.00) 0.00( 0.00) 7.29( 3.77) 12.72( 6.22)
8 UC/GG 0.61( 0.00) 0.00( 0.00) 0.25( 0.00) 1.84( 0.52) 2.70( 0.52)
9 CG/CG 1.80( 0.70) 0.00( 0.00) 2.36( 0.35) 0.00( 0.00) 4.16( 1.05)
10 GG/CC 2.73( 1.23) 0.00( 0.00) 0.75( 0.00) 0.00( 0.00) 3.48( 1.23)
11 Gu/AC 8.26( 3.56) 0.00( 0.00) 0.00( 0.00) 3.48( 1.21) 11.74( 4.77)
12 uP/GA 5.33( 0.21) 0.00( 0.00) 0.00( 0.00) 4.31( 1.89) 9.65( 2.10)
13 PG/CG 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
14 GC/GC 4.40( 1.88) 0.00( 0.00) 0.00( 0.00) 6.25( 2.34) 10.65( 4.22)
15 CU/AG 0.53( 0.01) 0.00( 0.00) 0.46( 0.00) 1.15( 1.15) 2.13( 1.16)
16 UC/GA 0.00( 0.00) 0.00( 0.00) 0.63( 0.00) 1.12( 0.00) 1.75( 0.00)
17 CG/AG 0.00( 0.00) 0.00( 0.00) 3.10( 1.09) 0.00( 0.00) 3.10( 1.09)
18 GU/AA 5.08( 2.37) 0.00( 0.00) 0.00( 0.00) 1.54( 0.67) 6.62( 3.03)
19 UC/GA 0.59( 0.00) 0.00( 0.00) 0.00( 0.00) 3.42( 1.99) 4.02( 1.99)
20 CG/CG 0.00( 0.00) 0.00( 0.00) 4.35( 1.63) 0.00( 0.00) 4.35( 1.63)
21 GG/CC 3.61( 2.12) 0.00( 0.00) 0.45( 0.00) 0.00( 0.00) 4.07( 2.12)
22 GG/CC 3.05( 1.52) 0.00( 0.00) 1.23( 0.00) 0.00( 0.00) 4.28( 1.52)
23 GG/CC 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
24 GG/CC 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
25 GU/AC 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
26 UG/CA 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
27 GC/GC 3.37( 1.39) 0.00( 0.00) 0.00( 0.00) 3.81( 1.75) 7.17( 3.14)
28 CG/CG 0.13( 0.01) 0.00( 0.00) 3.86( 1.13) 0.00( 0.00) 3.99( 1.14)
29 GG/CC 2.78( 1.29) 0.00( 0.00) 0.54( 0.00) 0.07( 0.00) 3.39( 1.29)
30 GG/CC 3.06( 1.50) 0.00( 0.00) 0.95( 0.00) 0.00( 0.00) 4.01( 1.50)
31 GG/CC 1.53( 0.31) 0.00( 0.00) 0.46( 0.00) 0.07( 0.00) 2.07( 0.31)
32 GG/CC 2.28( 0.65) 0.00( 0.00) 0.00( 0.00) 0.53( 0.11) 2.82( 0.75)
33 GU/GC 5.15( 2.22) 0.00( 0.00) 0.00( 0.00) 6.80( 3.32) 11.95( 5.55)
34 UC/GG 1.31( 0.04) 0.00( 0.00) 0.06( 0.00) 1.78( 0.45) 3.15( 0.49)
35 CG/CG 1.57( 0.33) 0.00( 0.00) 1.93( 0.13) 0.01( 0.00) 3.51( 0.46)
36 GG/CC 3.00( 1.47) 0.00( 0.00) 0.46( 0.00) 0.00( 0.00) 3.46( 1.47)
37 Gu/AC 8.28( 3.28) 0.00( 0.00) 0.00( 0.00) 3.67( 1.35) 11.95( 4.63)
38 uP/GA 4.71( 0.24) 0.00( 0.00) 0.00( 0.00) 3.22( 1.13) 7.93( 1.37)
39 PG/CG 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
40 GC/GC 3.79( 1.54) 0.00( 0.00) 0.00( 0.00) 5.27( 1.38) 9.06( 2.93)
41 CU/AG 0.32( 0.00) 0.00( 0.00) 0.54( 0.00) 1.11( 1.08) 1.97( 1.08)
42 UC/GA 0.00( 0.00) 0.00( 0.00) 0.82( 0.00) 1.06( 0.00) 1.88( 0.00)
43 CG/AG 0.00( 0.00) 0.00( 0.00) 2.31( 0.65) 0.00( 0.00) 2.31( 0.65)
44 GU/AA 5.10( 2.41) 0.00( 0.00) 0.00( 0.00) 1.18( 0.46) 6.29( 2.87)
45 UC/GA 0.51( 0.00) 0.00( 0.00) 0.00( 0.00) 2.98( 1.48) 3.49( 1.48)
46 CG/CG 0.00( 0.00) 0.00( 0.00) 4.54( 1.81) 0.00( 0.00) 4.54( 1.81)
47 GG/CC 3.97( 2.57) 0.00( 0.00) 0.43( 0.00) 0.00( 0.00) 4.41( 2.57)
48 GG/CC 3.13( 1.61) 0.00( 0.00) 0.95( 0.00) 0.00( 0.00) 4.08( 1.61)
49 GG/CC 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
50 GC/AC 2.66( 0.49) 0.59( 0.00) 0.00( 0.00) 0.00( 0.00) 3.25( 0.49)
51 CG/CA 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
52 GU/AC 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
****************************************************************************
Origin (Ox, Oy, Oz) and mean normal vector (Nx, Ny, Nz) of each base-pair in
the coordinate system of the given structure

bp Ox Oy Oz Nx Ny Nz
1 G-C 60.73 22.34 -3.67 -0.44 -0.27 -0.86
2 C-G 61.93 21.22 -7.36 -0.23 -0.28 -0.93
3 G-C 61.82 17.03 -10.22 -0.27 -0.43 -0.86
4 G-C 62.28 14.42 -12.31 -0.34 -0.34 -0.88
5 G-C 60.78 10.59 -14.14 -0.45 -0.47 -0.76
6 G-C 59.30 7.40 -15.54 -0.52 -0.43 -0.74
7 G-C 56.55 5.51 -16.86 -0.53 -0.37 -0.76
8 U-G 53.40 4.15 -18.22 -0.59 -0.46 -0.67
9 C-G 50.39 4.04 -20.64 -0.48 -0.31 -0.82
10 G-C 48.94 4.66 -23.88 -0.40 -0.27 -0.87
11 G-C 48.37 6.23 -27.39 -0.33 -0.20 -0.92
12 u-A 48.73 8.33 -31.63 -0.25 -0.23 -0.94
13 P+G 48.87 4.43 -33.76 -0.00 -0.28 -0.96
14 G-C 70.22 11.94 -30.44 0.95 -0.29 -0.09
15 C-G 73.69 12.10 -28.97 0.95 -0.23 -0.20
16 U-A 76.95 10.13 -28.74 0.86 -0.34 -0.37
17 C-G 78.35 6.37 -29.20 0.82 -0.44 -0.36
18 G-A 79.44 2.87 -32.38 0.89 -0.15 -0.43
19 U-A 81.78 2.37 -35.06 0.94 -0.10 -0.33
20 C-G 84.15 2.47 -37.38 0.89 -0.01 -0.45
21 G-C 86.99 3.70 -39.94 0.97 0.05 -0.22
22 G-C 89.75 6.04 -40.78 0.98 0.10 -0.19
23 G-C 92.96 8.64 -40.65 0.98 0.18 -0.03
24 G+C 62.93 9.28 -30.72 -0.98 0.17 0.12
25 G-C 48.80 7.29 -42.78 -0.17 -0.06 -0.98
26 U-A 100.72 11.37 -36.93 0.98 0.13 -0.15
27 G-C 61.72 -13.91 -2.30 -0.38 -0.27 -0.88
28 C-G 62.96 -14.67 -6.23 -0.21 -0.30 -0.93
29 G-C 63.50 -18.75 -9.16 -0.20 -0.43 -0.88
30 G-C 64.17 -21.19 -11.37 -0.25 -0.38 -0.89
31 G-C 63.17 -24.84 -13.22 -0.38 -0.47 -0.80
32 G-C 62.06 -28.35 -14.88 -0.52 -0.41 -0.75
33 G-C 59.68 -30.70 -16.45 -0.52 -0.37 -0.77
34 U-G 56.45 -32.19 -17.83 -0.50 -0.50 -0.70
35 C-G 53.80 -32.34 -20.21 -0.45 -0.31 -0.84
36 G-C 52.16 -31.96 -23.27 -0.34 -0.25 -0.91
37 G-C 51.44 -30.39 -27.03 -0.31 -0.17 -0.94
38 u-A 51.56 -27.93 -30.77 -0.20 -0.16 -0.97
39 P+G 51.85 -31.49 -33.05 -0.05 -0.33 -0.94
40 G-C 72.55 -22.37 -29.43 0.97 -0.23 -0.08
41 C-G 76.30 -21.69 -27.94 0.96 -0.16 -0.23
42 U-A 79.39 -23.23 -27.53 0.92 -0.26 -0.30
43 C-G 81.63 -27.01 -28.01 0.88 -0.31 -0.35
44 G-A 82.90 -29.95 -31.52 0.89 -0.09 -0.45
45 U-A 85.28 -30.24 -34.17 0.96 -0.04 -0.28
46 C-G 87.70 -29.71 -36.46 0.90 0.03 -0.43
47 G-C 90.45 -28.18 -38.99 0.96 0.14 -0.25
48 G-C 93.17 -25.52 -39.67 0.95 0.19 -0.23
49 G-C 96.27 -22.61 -39.74 0.96 0.27 -0.09
50 G+C 65.76 -25.59 -29.96 -0.99 0.08 0.12
51 C+A 62.79 -22.11 -28.63 -0.89 0.11 0.44
52 G-C 51.98 -28.53 -42.14 -0.08 0.06 -0.99
53 U-A 104.05 -20.21 -37.72 0.99 0.13 -0.10
****************************************************************************
Local base-pair parameters
bp Shear Stretch Stagger Buckle Propeller Opening
1 G-C -0.17 -0.20 0.54 11.00 0.35 -3.92
2 C-G -0.65 -0.16 -0.99 19.63 -4.32 -1.75
3 G-C -0.14 0.06 -0.54 -8.99 5.69 10.85
4 G-C -0.51 0.26 0.53 6.27 10.05 11.48
5 G-C -0.23 0.14 -0.36 -15.63 -5.79 7.10
6 G-C 0.77 0.53 -0.53 -14.51 -2.10 5.37
7 G-C 0.50 0.16 -0.28 -4.65 -4.46 1.94
8 U-G 1.92 -0.42 -0.85 5.09 -6.11 6.27
9 C-G 0.34 -0.18 -0.40 -5.45 -3.66 4.56
10 G-C 0.25 0.38 -0.21 -3.10 -6.34 4.02
11 G-C -0.25 0.13 -0.24 0.96 -1.37 -3.63
12 u-A 3.57 -0.81 0.47 8.55 8.96 -103.69
13 P+G 1.10 -6.32 -1.33 36.40 8.68 -98.20
14 G-C -1.15 -0.46 -0.34 -5.57 -8.28 -0.32
15 C-G 0.31 -0.16 -0.19 6.86 -10.83 3.68
16 U-A 0.39 -0.17 0.48 -5.15 2.40 3.46
17 C-G 0.83 -0.14 0.27 -1.03 -2.11 1.93
18 G-A -0.06 1.54 -0.10 13.11 -15.79 -15.27
19 U-A 0.12 -0.26 0.22 10.84 -18.13 -6.36
20 C-G 0.38 -0.14 -0.87 16.21 -20.40 1.48
21 G-C 0.20 0.04 0.35 3.39 -7.40 2.39
22 G-C -0.64 -0.22 0.40 1.04 -11.81 0.35
23 G-C -0.29 -0.47 -0.15 -17.17 -10.68 -3.68
24 G+C 0.11 2.86 0.15 -2.48 4.76 163.33
25 G-C 0.62 0.99 -0.50 -39.73 -30.64 14.30
26 U-A 5.07 -7.16 -0.78 32.56 31.17 -88.21
27 G-C -0.14 -0.34 0.46 17.22 -1.09 -1.81
28 C-G -0.38 -0.08 -0.84 19.42 -4.87 -0.54
29 G-C -0.54 0.10 -0.52 -7.14 5.68 9.45
30 G-C -0.36 0.26 0.42 8.02 7.52 10.52
31 G-C -0.12 0.24 -0.34 -9.05 1.65 10.40
32 G-C 0.89 0.35 -0.56 -14.74 -4.59 3.67
33 G-C 1.07 0.11 -0.40 -9.26 -5.36 -1.03
34 U-G 2.00 -0.48 -0.59 1.20 -2.44 5.85
35 C-G 0.67 0.10 -0.58 0.83 2.00 6.98
36 G-C 0.28 0.33 -0.13 -0.45 -10.46 1.31
37 G-C -0.04 0.43 -0.27 -5.71 -3.55 -2.45
38 u-A 3.49 -0.55 0.19 10.85 10.81 -103.33
39 P+G 0.15 -7.10 0.05 36.50 8.96 -104.36
40 G-C -1.44 -0.45 -0.40 -8.44 -6.16 0.89
41 C-G 0.25 -0.17 0.07 -2.14 -7.77 2.86
42 U-A 0.14 -0.24 0.11 0.62 -2.40 2.65
43 C-G 0.70 -0.13 0.42 -6.77 -3.20 0.69
44 G-A -0.09 1.44 -0.46 12.74 -22.31 -14.18
45 U-A -0.14 -0.20 0.54 12.24 -16.86 -5.47
46 C-G 0.19 0.02 -0.68 15.22 -17.11 5.43
47 G-C 0.07 -0.06 0.12 0.59 -10.99 3.86
48 G-C -0.67 -0.11 0.11 -4.40 -5.08 3.02
49 G-C -0.18 -0.10 -0.69 -17.57 -10.40 1.41
50 G+C 0.02 2.73 0.40 -3.02 6.92 164.08
51 C+A -4.09 -6.35 1.81 57.99 -10.82 -137.25
52 G-C 0.77 1.08 -0.37 -47.27 -28.17 3.91
53 U-A 4.80 -8.10 -1.57 19.65 30.28 -78.41
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. 0.37 -0.52 -0.17 2.37 -3.73 -5.55
s.d. 1.41 2.23 0.57 17.28 11.57 49.69
****************************************************************************
Local base-pair step parameters
step Shift Slide Rise Tilt Roll Twist
1 GC/GC -0.01 -2.43 3.22 13.15 -0.47 28.25
2 CG/CG 2.08 -2.13 4.11 1.87 9.57 29.12
3 GG/CC -0.24 -2.02 2.69 -6.27 0.42 29.31
4 GG/CC 0.34 -2.59 3.66 8.42 8.18 28.30
5 GG/CC -0.89 -1.81 3.20 0.82 4.60 35.30
6 GG/CC -0.23 -1.61 3.20 -1.27 3.43 31.70
7 GU/GC -0.55 -1.54 3.30 3.80 -7.05 37.12
8 UC/GG 0.04 -1.68 3.47 0.87 13.77 26.34
9 CG/CG 0.66 -1.50 3.21 0.63 5.80 25.52
10 GG/CC 0.31 -2.45 3.00 4.90 4.08 32.48
11 Gu/AC -2.07 -2.59 3.39 3.78 3.35 81.39
12 uP/GA 2.34 -2.27 3.03 13.21 -6.04 41.75
13 PG/CG ---- ---- ---- ---- ---- ----
14 GC/GC -0.83 -2.03 3.06 -5.96 -4.21 32.49
15 CU/AG 0.23 -1.55 3.48 -5.72 11.68 35.21
16 UC/GA 1.04 -2.69 2.83 5.37 2.72 29.86
17 CG/AG 1.52 -3.26 3.26 -16.10 7.41 52.09
18 GU/AA 0.67 -1.43 3.22 -7.20 -0.46 34.87
19 UC/GA 0.12 -1.23 3.08 7.81 3.81 36.84
20 CG/CG -0.06 -1.86 3.56 -8.19 11.55 30.19
21 GG/CC 0.54 -2.07 3.04 2.03 2.85 25.76
22 GG/CC 0.12 -2.19 3.51 6.06 8.48 34.61
23 GG/CC ---- ---- ---- ---- ---- ----
24 GG/CC ---- ---- ---- ---- ---- ----
25 GU/AC ---- ---- ---- ---- ---- ----
26 UG/CA ---- ---- ---- ---- ---- ----
27 GC/GC -0.19 -2.40 3.42 9.88 2.05 30.29
28 CG/CG 2.02 -2.27 4.04 3.41 6.97 25.90
29 GG/CC -0.14 -1.85 2.79 -4.09 0.43 30.63
30 GG/CC 0.41 -2.39 3.45 5.37 9.08 29.52
31 GG/CC -1.15 -1.96 3.34 1.32 9.13 35.16
32 GG/CC -0.70 -1.40 3.34 -1.72 2.20 34.10
33 GU/GC -0.51 -1.80 3.33 -0.73 -8.82 34.67
34 UC/GG 0.21 -1.60 3.17 3.54 13.44 26.79
35 CG/CG 0.29 -1.33 3.22 0.48 8.17 25.35
36 GG/CC 0.34 -2.38 3.37 4.93 1.51 33.15
37 Gu/AC -2.12 -2.41 3.13 6.21 2.84 79.24
38 uP/GA 2.08 -2.11 3.04 12.49 3.70 50.27
39 PG/CG ---- ---- ---- ---- ---- ----
40 GC/GC -1.18 -2.16 3.27 -8.08 -5.28 30.87
41 CU/AG 0.18 -1.53 3.11 -1.13 7.40 35.71
42 UC/GA 1.07 -2.80 3.26 1.58 4.43 29.35
43 CG/AG 1.91 -3.00 3.13 -11.11 8.66 53.86
44 GU/AA 0.72 -1.43 3.19 -10.90 -2.69 33.91
45 UC/GA 0.41 -1.33 3.07 9.80 3.11 36.84
46 CG/CG 0.05 -1.87 3.57 -4.21 11.48 30.56
47 GG/CC 0.80 -1.99 3.21 2.28 2.28 26.36
48 GG/CC 0.10 -2.17 3.65 5.61 7.13 33.47
49 GG/CC ---- ---- ---- ---- ---- ----
50 GC/AC -1.58 -2.78 3.53 -5.60 -18.85 -158.98
51 CG/CA ---- ---- ---- ---- ---- ----
52 GU/AC ---- ---- ---- ---- ---- ----
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. 0.19 -2.04 3.28 0.96 3.53 30.83
s.d. 1.03 0.49 0.28 6.79 6.45 31.95
****************************************************************************
Local base-pair helical parameters
step X-disp Y-disp h-Rise Incl. Tip h-Twist
1 GC/GC -4.44 2.52 2.96 -0.89 -25.28 31.10
2 CG/CG -6.24 -3.50 3.38 18.39 -3.60 30.68
3 GG/CC -3.97 -0.60 2.66 0.82 12.22 29.96
4 GG/CC -6.58 1.07 2.81 15.90 -16.36 30.60
5 GG/CC -3.60 1.56 2.93 7.54 -1.34 35.60
6 GG/CC -3.53 0.21 3.02 6.26 2.31 31.91
7 GU/GC -1.43 1.35 3.46 -10.93 -5.89 37.94
8 UC/GG -6.02 0.09 2.33 27.92 -1.76 29.68
9 CG/CG -4.78 -1.30 2.82 12.91 -1.41 26.17
10 GG/CC -4.91 0.18 2.70 7.21 -8.66 33.08
11 Gu/AC -2.07 1.68 3.22 2.57 -2.89 81.52
12 uP/GA -2.40 -1.77 3.84 -8.18 -17.89 44.10
13 PG/CG ---- ---- ---- ---- ---- ----
14 GC/GC -2.85 0.47 3.39 -7.41 10.49 33.28
15 CU/AG -3.92 -1.10 2.77 18.54 9.09 37.46
16 UC/GA -5.60 -1.06 2.72 5.21 -10.29 30.44
17 CG/AG -3.92 -2.49 2.29 8.17 17.76 54.82
18 GU/AA -2.27 -2.12 3.05 -0.76 11.86 35.59
19 UC/GA -2.36 0.74 2.90 5.93 -12.14 37.81
20 CG/CG -5.17 -1.26 2.62 20.80 14.74 33.28
21 GG/CC -5.31 -0.70 2.83 6.35 -4.53 25.99
22 GG/CC -4.73 0.66 2.89 13.87 -9.90 36.10
23 GG/CC ---- ---- ---- ---- ---- ----
24 GG/CC ---- ---- ---- ---- ---- ----
25 GU/AC ---- ---- ---- ---- ---- ----
26 UG/CA ---- ---- ---- ---- ---- ----
27 GC/GC -4.75 2.18 3.05 3.80 -18.28 31.89
28 CG/CG -6.96 -3.29 3.55 15.12 -7.40 27.01
29 GG/CC -3.55 -0.41 2.76 0.81 7.69 30.89
30 GG/CC -6.08 0.21 2.65 17.14 -10.14 31.30
31 GG/CC -4.34 2.01 2.72 14.80 -2.14 36.32
32 GG/CC -2.74 0.91 3.28 3.74 2.93 34.21
33 GU/GC -1.54 0.71 3.67 -14.51 1.20 35.75
34 UC/GG -5.45 0.22 2.15 26.85 -7.07 30.12
35 CG/CG -4.87 -0.52 2.67 18.02 -1.07 26.62
36 GG/CC -4.37 0.24 3.27 2.62 -8.57 33.54
37 Gu/AC -1.96 1.81 2.91 2.22 -4.86 79.48
38 uP/GA -2.66 -1.55 3.28 4.28 -14.43 51.82
39 PG/CG ---- ---- ---- ---- ---- ----
40 GC/GC -2.85 0.55 3.76 -9.63 14.74 32.31
41 CU/AG -3.37 -0.43 2.75 11.90 1.81 36.46
42 UC/GA -6.33 -1.76 2.87 8.68 -3.10 29.72
43 CG/AG -3.65 -2.60 2.26 9.38 12.03 55.53
44 GU/AA -1.96 -2.69 2.93 -4.46 18.09 35.67
45 UC/GA -2.40 0.53 2.97 4.80 -15.14 38.20
46 CG/CG -5.27 -0.80 2.69 20.77 7.61 32.87
47 GG/CC -4.91 -1.16 3.09 4.97 -4.98 26.55
48 GG/CC -4.79 0.74 3.12 12.10 -9.52 34.65
49 GG/CC ---- ---- ---- ---- ---- ----
50 GC/AC 1.47 -0.82 3.43 9.58 -2.84 -159.29
51 CG/CA ---- ---- ---- ---- ---- ----
52 GU/AC ---- ---- ---- ---- ---- ----
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. -3.94 -0.26 2.96 7.28 -2.02 32.06
s.d. 1.70 1.49 0.39 9.74 10.48 32.13
****************************************************************************
Structure classification:

This structure contains more than one helical regions
This is a right-handed nucleic acid structure
****************************************************************************
lambda: virtual angle between C1'-YN1 or C1'-RN9 glycosidic bonds and the
base-pair C1'-C1' line

C1'-C1': distance between C1' atoms for each base-pair
RN9-YN1: distance between RN9-YN1 atoms for each base-pair
RC8-YC6: distance between RC8-YC6 atoms for each base-pair

bp lambda(I) lambda(II) C1'-C1' RN9-YN1 RC8-YC6
1 G-C 52.7 53.2 10.7 8.9 9.8
2 C-G 50.7 56.4 10.7 8.9 9.8
3 G-C 60.0 60.1 10.3 8.8 10.0
4 G-C 56.7 61.5 10.6 9.1 10.2
5 G-C 58.1 59.2 10.5 9.0 10.1
6 G-C 61.3 52.8 11.1 9.5 10.5
7 G-C 57.0 52.6 10.9 9.2 10.2
8 U-G 68.8 47.9 10.2 8.7 9.8
9 C-G 57.7 55.5 10.4 8.8 9.8
10 G-C 59.3 54.4 11.0 9.4 10.4
11 G-C 52.1 53.2 11.1 9.3 10.2
12 u-A 23.4 17.1 10.3 7.6 6.5
13 P+G 106.6 30.8 9.7 9.1 10.6
14 G-C 47.3 59.5 10.5 8.7 9.6
15 C-G 57.0 54.5 10.5 8.9 9.9
16 U-A 59.5 53.7 10.4 8.8 9.8
17 C-G 59.4 50.8 10.6 9.0 9.9
18 G-A 46.2 47.7 12.8 10.8 11.2
19 U-A 51.9 51.7 10.6 8.8 9.6
20 C-G 55.9 53.5 10.6 8.9 9.8
21 G-C 57.1 55.0 10.7 9.1 10.1
22 G-C 53.1 57.1 10.6 8.9 9.8
23 G-C 52.8 54.3 10.3 8.6 9.4
24 G+C 35.4 50.6 10.8 8.9 10.2
25 G-C 68.4 52.9 10.8 9.3 10.5
26 U-A 72.1 42.2 6.8 5.8 6.0
27 G-C 54.2 55.0 10.4 8.7 9.6
28 C-G 52.2 56.7 10.6 9.0 9.8
29 G-C 57.2 61.5 10.4 9.0 10.1
30 G-C 56.6 60.1 10.6 9.1 10.2
31 G-C 60.5 60.0 10.5 9.0 10.2
32 G-C 62.1 51.6 10.9 9.3 10.3
33 G-C 59.4 48.4 11.0 9.3 10.2
34 U-G 68.9 47.0 10.2 8.7 9.7
35 C-G 60.6 55.0 10.6 9.1 10.2
36 G-C 57.7 52.9 11.1 9.4 10.4
37 G-C 53.5 52.5 11.3 9.6 10.5
38 u-A 23.5 16.3 10.6 7.9 6.7
39 P+G 103.9 40.4 9.6 9.1 10.8
40 G-C 47.0 61.8 10.4 8.7 9.7
41 C-G 56.5 54.5 10.5 8.9 9.9
42 U-A 57.4 55.4 10.3 8.7 9.7
43 C-G 58.4 51.5 10.6 9.0 9.9
44 G-A 47.2 49.1 12.6 10.7 11.2
45 U-A 51.0 54.3 10.6 8.9 9.7
46 C-G 58.0 56.3 10.5 9.0 10.0
47 G-C 57.6 56.0 10.5 8.9 10.0
48 G-C 54.7 58.4 10.5 8.9 9.9
49 G-C 54.9 56.3 10.6 8.9 9.8
50 G+C 34.5 50.4 10.9 9.0 10.3
51 C+A 82.1 71.3 7.2 7.0 9.0
52 G-C 65.9 49.6 11.0 9.5 10.4
53 U-A 80.9 41.7 6.4 5.6 6.0
****************************************************************************
Classification of each dinucleotide step in a right-handed nucleic acid
structure: A-like; B-like; TA-like; intermediate of A and B, or other cases

step Xp Yp Zp XpH YpH ZpH Form
1 GC/GC -0.90 7.68 2.93 -5.37 7.73 2.55 A
2 CG/CG -1.51 7.93 2.63 -7.53 6.75 4.91 A
3 GG/CC -1.68 7.70 3.24 -5.50 7.65 3.29 A
4 GG/CC -2.14 7.99 3.34 -8.34 6.85 5.09 A
5 GG/CC -1.79 8.17 2.49 -5.20 7.80 3.48 A
6 GG/CC -1.35 7.47 3.38 -4.73 7.08 4.14
7 GU/GC -1.62 8.10 2.25 -2.95 8.38 0.77 A
8 UC/GG -1.80 8.23 2.13 -7.60 6.35 5.67 A
9 CG/CG -1.44 8.56 2.32 -6.09 7.85 4.14 A
10 GG/CC -1.74 8.17 2.71 -6.41 7.78 3.69 A
11 Gu/AC -0.26 7.18 3.66 -1.78 7.05 4.04
12 uP/GA 4.52 4.93 -0.01 1.44 4.94 0.16
13 PG/CG --- --- --- --- --- --- ---
14 GC/GC -1.91 8.45 2.23 -4.52 8.66 1.17 A
15 CU/AG -1.82 8.08 2.84 -5.50 6.85 5.10 A
16 UC/GA -2.29 8.18 3.18 -7.57 7.87 3.82 A
17 CG/AG -2.63 6.63 4.97 -6.27 5.97 5.27
18 GU/AA -0.93 8.62 2.59 -2.81 8.66 2.50 A
19 UC/GA -1.49 8.39 2.05 -3.82 8.15 2.83 A
20 CG/CG -1.45 8.21 2.47 -6.25 6.91 4.91 A
21 GG/CC -1.50 8.13 3.06 -6.68 7.75 3.91 A
22 GG/CC -1.75 8.10 2.96 -6.13 7.21 4.63 A
23 GG/CC --- --- --- --- --- --- ---
24 GG/CC --- --- --- --- --- --- ---
25 GU/AC --- --- --- --- --- --- ---
26 UG/CA --- --- --- --- --- --- ---
27 GC/GC -1.01 7.61 2.93 -5.76 7.41 3.30 A
28 CG/CG -1.43 7.89 2.67 -8.19 6.96 4.57 A
29 GG/CC -1.53 7.80 3.14 -4.94 7.76 3.23 A
30 GG/CC -2.19 8.05 3.31 -8.01 6.79 5.35 A
31 GG/CC -1.93 8.07 2.57 -6.02 7.20 4.44 A
32 GG/CC -1.34 7.57 3.31 -3.94 7.35 3.77 A
33 GU/GC -1.52 8.11 2.30 -2.99 8.43 0.28 A
34 UC/GG -1.78 8.31 2.24 -7.00 6.46 5.72 A
35 CG/CG -1.40 8.63 2.37 -6.14 7.51 4.87 A
36 GG/CC -1.73 8.31 2.66 -5.87 8.19 3.06 A
37 Gu/AC -0.30 7.40 3.42 -1.73 7.29 3.89
38 uP/GA 4.33 4.67 0.21 1.22 4.62 1.21
39 PG/CG --- --- --- --- --- --- ---
40 GC/GC -1.83 8.41 2.42 -4.43 8.70 1.04 A
41 CU/AG -1.76 8.09 2.62 -4.96 7.42 4.15 A
42 UC/GA -2.13 8.09 3.13 -8.23 7.55 4.28 A
43 CG/AG -2.67 6.62 4.84 -6.06 5.86 5.46
44 GU/AA -0.97 8.62 2.46 -2.40 8.78 1.80 A
45 UC/GA -1.68 8.28 2.33 -4.07 8.07 2.90 A
46 CG/CG -1.64 8.05 2.53 -6.63 6.71 5.06 A
47 GG/CC -1.73 8.16 2.81 -6.49 7.89 3.48 A
48 GG/CC -1.91 8.19 2.73 -6.36 7.49 4.22 A
49 GG/CC --- --- --- --- --- --- ---
50 GC/AC 1.95 -8.27 1.86 2.21 -8.32 1.59
51 CG/CA --- --- --- --- --- --- ---
52 GU/AC --- --- --- --- --- --- ---
****************************************************************************
Minor and major groove widths: direct P-P distances and refined P-P distances
which take into account the directions of the sugar-phosphate backbones

(Subtract 5.8 Angstrom from the values to take account of the vdw radii
of the phosphate groups, and for comparison with FreeHelix and Curves.)

Ref: M. A. El Hassan and C. R. Calladine (1998). ``Two Distinct Modes of
Protein-induced Bending in DNA.'' J. Mol. Biol., v282, pp331-343.

Minor Groove Major Groove
P-P Refined P-P Refined
1 GC/GC --- --- --- ---
2 CG/CG --- --- --- ---
3 GG/CC 16.2 --- 19.4 ---
4 GG/CC 17.1 15.2 19.6 19.0
5 GG/CC 17.2 15.6 17.9 17.3
6 GG/CC 16.2 14.9 18.3 17.5
7 GU/GC 16.3 15.0 17.6 17.3
8 UC/GG 17.1 15.8 15.5 12.5
9 CG/CG 17.3 15.7 16.6 12.4
10 GG/CC 17.1 --- 14.8 ---
11 Gu/AC --- --- --- ---
12 uP/GA --- --- --- ---
13 PG/CG --- --- --- ---
14 GC/GC --- --- --- ---
15 CU/AG --- --- --- ---
16 UC/GA 16.4 --- 15.1 ---
17 CG/AG 16.3 14.0 15.9 13.2
18 GU/AA 18.2 14.6 15.2 12.7
19 UC/GA 18.1 15.4 14.3 9.6
20 CG/CG 16.4 --- 15.7 ---
21 GG/CC --- --- --- ---
22 GG/CC --- --- --- ---
23 GG/CC --- --- --- ---
24 GG/CC --- --- --- ---
25 GU/AC --- --- --- ---
26 UG/CA --- --- --- ---
27 GC/GC --- --- --- ---
28 CG/CG --- --- --- ---
29 GG/CC 16.2 --- 19.5 ---
30 GG/CC 17.2 15.2 19.2 18.5
31 GG/CC 17.4 15.7 17.5 16.7
32 GG/CC 16.3 14.9 18.4 17.4
33 GU/GC 16.5 15.2 17.6 17.2
34 UC/GG 17.4 16.2 15.7 12.1
35 CG/CG 17.4 15.9 16.5 12.2
36 GG/CC 17.1 --- 14.7 ---
37 Gu/AC --- --- --- ---
38 uP/GA --- --- --- ---
39 PG/CG --- --- --- ---
40 GC/GC --- --- --- ---
41 CU/AG --- --- --- ---
42 UC/GA 16.4 --- 14.7 ---
43 CG/AG 16.3 13.9 15.6 13.2
44 GU/AA 18.3 14.5 14.9 12.4
45 UC/GA 17.9 15.2 14.5 10.2
46 CG/CG 16.1 --- 16.0 ---
47 GG/CC --- --- --- ---
48 GG/CC --- --- --- ---
49 GG/CC --- --- --- ---
50 GC/AC --- --- --- ---
51 CG/CA --- --- --- ---
52 GU/AC --- --- --- ---
****************************************************************************
Global linear helical axis defined by equivalent C1' and RN9/YN1 atom pairs
Deviation from regular linear helix: 1.13(4.21)
****************************************************************************
Main chain and chi torsion angles:

Note: alpha: O3'(i-1)-P-O5'-C5'
beta: P-O5'-C5'-C4'
gamma: O5'-C5'-C4'-C3'
delta: C5'-C4'-C3'-O3'
epsilon: C4'-C3'-O3'-P(i+1)
zeta: C3'-O3'-P(i+1)-O5'(i+1)

chi for pyrimidines(Y): O4'-C1'-N1-C2
chi for purines(R): O4'-C1'-N9-C4

Strand I
base alpha beta gamma delta epsilon zeta chi
1 G --- 134.7 75.1 79.1 -135.0 -86.2 177.3
2 C -49.2 173.5 45.7 81.5 -136.8 -68.5 -151.1
3 G -57.5 169.1 58.9 78.3 -165.9 -82.5 -171.4
4 G -70.1 179.0 59.4 86.2 -150.9 -64.8 -173.7
5 G -69.5 177.8 64.5 81.9 -167.1 -76.1 -176.9
6 G -77.3 -172.7 61.3 92.9 --- --- -161.6
7 G --- -125.1 76.7 89.5 -160.7 -63.6 179.8
8 U -74.6 -165.7 54.3 87.8 -159.7 -67.1 -146.4
9 C -71.3 -175.4 45.3 80.4 -150.7 -73.7 -152.3
10 G -69.6 157.9 66.5 79.4 -158.8 -69.8 -170.3
11 G -69.0 -170.5 53.3 80.3 -163.5 -66.2 -157.7
12 u -65.6 -167.7 48.4 82.7 -145.5 -48.8 -153.9
13 P -71.5 -175.5 52.4 88.0 --- --- -124.7
14 G --- 135.1 36.9 78.9 -155.3 -70.0 -177.2
15 C -56.8 -177.5 47.1 83.9 -148.6 -70.5 -159.2
16 U -69.4 179.3 51.1 83.8 -167.2 -60.1 -165.5
17 C 148.0 -171.7 -175.4 85.1 -147.0 -67.2 -178.6
18 G -64.6 178.7 47.8 83.3 -148.8 -66.3 -173.2
19 U -59.4 171.2 48.5 82.3 -136.3 -83.1 -168.9
20 C -62.7 165.8 46.8 79.5 -151.3 -77.9 -147.6
21 G -54.0 175.9 45.3 79.8 -146.8 -74.1 -164.6
22 G -51.8 164.2 55.1 77.2 -155.8 -63.9 -170.5
23 G -56.5 -172.2 43.8 78.7 --- --- -162.7
24 G --- 176.6 63.5 89.3 --- --- -157.6
25 G --- -172.8 157.3 148.1 --- --- -105.6
26 U --- 148.4 143.6 87.8 --- --- 177.5
27 G --- -163.7 61.3 81.8 -147.6 -77.2 -171.4
28 C -57.8 -175.0 42.9 79.9 -139.1 -68.7 -150.9
29 G -58.8 168.3 63.4 78.1 -159.1 -86.6 -171.1
30 G -59.8 170.5 58.0 86.8 -150.2 -63.8 -171.0
31 G -74.7 178.2 62.5 83.8 -173.9 -71.8 -173.8
32 G -85.5 -162.3 64.8 98.5 --- --- -158.7
33 G --- -120.4 73.4 89.9 -164.6 -60.3 -179.9
34 U -75.5 -163.6 53.8 86.7 -152.2 -73.6 -151.7
35 C -65.9 177.5 44.7 81.2 -153.1 -75.6 -148.9
36 G -63.6 155.2 61.2 77.9 -157.5 -70.0 -169.1
37 G -66.2 -173.2 52.4 81.1 -160.7 -67.8 -161.2
38 u -69.6 -167.0 48.7 81.8 -149.6 -47.3 -151.6
39 P -82.4 -166.9 55.2 91.0 --- --- -134.4
40 G --- 142.7 33.3 80.0 -154.9 -74.0 -178.8
41 C -51.0 176.6 47.5 82.1 -147.4 -71.4 -169.7
42 U -74.4 -175.8 52.4 85.4 -167.0 -62.3 -158.8
43 C 152.2 -171.2 -176.5 83.4 -141.7 -66.8 176.3
44 G -66.6 177.6 50.8 83.1 -149.8 -66.4 -167.6
45 U -68.2 172.2 59.1 80.5 -134.7 -80.8 -172.7
46 C -66.4 169.6 47.7 81.6 -154.5 -76.1 -150.2
47 G -52.6 177.8 44.3 81.6 -145.4 -73.1 -163.1
48 G -59.9 164.3 61.5 80.2 -160.4 -68.9 -171.4
49 G -50.2 -179.6 43.5 78.5 --- --- -161.4
50 G --- 174.5 62.7 88.7 -126.4 -56.5 -157.1
51 C -75.9 -157.0 54.1 149.4 --- --- -81.9
52 G --- -115.2 -171.5 146.8 --- --- -141.2
53 U --- -176.5 64.5 80.6 --- --- -163.1

Strand II
base alpha beta gamma delta epsilon zeta chi
1 C -48.4 167.0 56.7 81.3 --- --- 178.5
2 G -71.8 -165.7 51.2 82.8 -145.2 -77.7 -178.5
3 C -64.6 176.5 55.0 82.4 -175.9 -71.0 -165.8
4 C -68.6 -172.0 45.2 80.9 -159.8 -73.0 -175.1
5 C -58.6 179.6 51.9 83.9 -159.5 -69.4 -157.8
6 C -68.0 177.6 53.6 82.7 -153.8 -65.8 -158.3
7 C -54.1 170.8 55.9 82.0 -149.1 -80.3 -165.5
8 G -76.3 -162.9 48.8 81.8 -158.1 -67.4 -162.9
9 G -68.2 -179.7 51.9 81.8 -168.1 -66.9 -160.2
10 C -73.1 -164.6 45.4 82.8 -157.5 -74.1 -160.2
11 C --- -178.2 40.1 82.2 -151.9 -70.5 177.0
12 A --- -153.9 53.9 147.4 --- --- -88.5
13 G --- -64.2 -155.3 147.8 --- --- 175.6
14 C 167.7 -179.9 171.8 86.3 --- --- -165.7
15 G -72.5 -172.7 51.8 83.7 -166.0 -53.8 -159.1
16 A -71.6 -162.1 46.9 83.3 -159.7 -70.5 -167.5
17 G --- -168.5 54.5 83.6 -156.3 -65.6 178.0
18 A -39.6 157.2 45.9 84.4 --- --- -148.6
19 A -61.2 174.9 55.8 82.0 -151.3 -91.2 -162.6
20 G -58.0 174.3 53.3 80.7 -156.7 -70.9 -165.3
21 C -66.7 176.8 51.0 80.9 -150.6 -72.8 -170.8
22 C -53.8 174.4 40.4 79.9 -157.3 -72.4 -167.5
23 C --- -170.2 52.5 87.3 -156.8 -71.9 -157.4
24 C --- -101.4 167.0 142.1 --- --- -164.6
25 C --- 166.7 47.5 85.6 --- --- -153.3
26 A --- 167.9 55.4 78.2 --- --- -167.9
27 C -51.4 173.3 58.7 83.5 --- --- 179.4
28 G -85.8 -154.9 54.3 82.5 -150.3 -74.6 -179.5
29 C -61.8 169.0 55.9 83.4 174.9 -65.6 -167.0
30 C -62.4 -174.8 43.0 82.1 -154.8 -77.4 -173.4
31 C -60.4 -178.4 52.9 85.1 -159.2 -72.3 -161.4
32 C -65.1 179.0 51.1 81.4 -149.5 -67.0 -157.2
33 C -53.3 173.0 55.4 80.0 -152.9 -74.0 -159.2
34 G -71.7 -168.3 45.1 79.9 -159.0 -66.7 -162.9
35 G -67.7 176.6 51.3 83.6 -162.8 -69.7 -164.1
36 C -75.3 -160.8 43.3 81.8 -155.4 -76.9 -159.8
37 C --- 177.0 39.8 82.4 -157.6 -63.0 -178.5
38 A --- -156.5 55.9 145.4 --- --- -95.4
39 G --- 138.6 145.2 148.9 --- --- -160.4
40 C -168.4 156.6 162.8 85.6 --- --- -164.6
41 G -79.2 -169.4 52.8 81.3 -165.2 -36.3 -154.9
42 A -68.5 -167.3 51.2 84.2 -158.6 -69.1 -168.4
43 G --- -163.7 52.4 85.3 -151.2 -68.8 177.7
44 A -46.1 159.3 50.8 85.2 --- --- -145.5
45 A -56.7 176.7 51.0 84.2 -152.5 -88.1 -164.5
46 G -58.5 178.0 52.0 84.6 -157.0 -71.9 -165.9
47 C -73.8 -177.2 52.1 82.6 -156.3 -73.9 -168.1
48 C -61.4 175.2 51.1 83.1 -163.6 -72.8 -166.2
49 C --- -172.2 49.1 86.0 -151.9 -70.6 -157.7
50 C --- 99.9 71.2 135.2 --- --- -155.5
51 A --- 167.9 59.7 87.7 --- --- 178.8
52 C --- 153.0 38.6 82.7 --- --- -155.5
53 A --- 179.6 49.7 86.1 --- --- -156.2
****************************************************************************
Sugar conformational parameters:

Note: v0: C4'-O4'-C1'-C2'
v1: O4'-C1'-C2'-C3'
v2: C1'-C2'-C3'-C4'
v3: C2'-C3'-C4'-O4'
v4: C3'-C4'-O4'-C1'

tm: amplitude of pseudorotation of the sugar ring
P: phase angle of pseudorotation of the sugar ring

Strand I
base v0 v1 v2 v3 v4 tm P Puckering
1 G 6.5 -28.7 39.0 -36.3 18.9 39.5 9.4 C3'-endo
2 C 4.1 -26.7 37.7 -36.5 20.4 38.6 12.7 C3'-endo
3 G -2.6 -22.2 36.9 -39.3 26.5 39.8 22.1 C3'-endo
4 G 4.8 -26.0 36.2 -34.4 18.6 36.9 11.3 C3'-endo
5 G -7.4 -17.7 34.5 -39.7 29.9 39.5 29.2 C3'-endo
6 G 0.5 -20.1 31.1 -31.6 19.7 32.6 17.8 C3'-endo
7 G 3.9 -24.7 35.1 -33.8 18.9 35.9 12.6 C3'-endo
8 U 4.6 -24.6 34.2 -32.5 17.6 34.9 11.2 C3'-endo
9 C -0.8 -22.0 35.1 -36.5 23.6 37.3 19.9 C3'-endo
10 G -2.1 -23.0 37.8 -39.9 26.5 40.6 21.4 C3'-endo
11 G -0.5 -23.5 37.0 -38.2 24.4 39.2 19.2 C3'-endo
12 u 0.9 -23.2 35.4 -35.9 22.0 37.1 17.3 C3'-endo
13 P 11.7 -30.3 36.4 -30.7 12.0 36.4 0.4 C3'-endo
14 G 1.2 -24.5 37.1 -37.5 22.9 38.8 16.9 C3'-endo
15 C 2.7 -23.9 34.8 -34.2 19.8 35.9 14.4 C3'-endo
16 U -0.7 -21.4 34.0 -35.4 22.8 36.1 19.8 C3'-endo
17 C 0.4 -22.7 35.1 -35.8 22.2 36.9 17.9 C3'-endo
18 G -0.7 -20.8 33.0 -34.5 22.3 35.1 19.9 C3'-endo
19 U -1.4 -21.1 34.4 -36.3 23.7 36.8 20.9 C3'-endo
20 C 3.1 -25.9 38.0 -37.0 21.4 39.1 14.1 C3'-endo
21 G 5.1 -26.5 36.9 -34.9 18.8 37.6 11.0 C3'-endo
22 G -2.7 -22.2 37.2 -39.6 26.7 40.2 22.2 C3'-endo
23 G -1.8 -22.7 36.9 -39.1 25.9 39.6 21.2 C3'-endo
24 G -1.5 -19.1 31.2 -33.1 21.8 33.5 21.2 C3'-endo
25 G -21.1 35.1 -34.5 23.5 -1.7 36.0 163.8 C2'-endo
26 U 6.7 -25.7 34.0 -31.5 15.6 34.4 8.0 C3'-endo
27 G 5.5 -27.7 38.0 -36.1 19.4 38.7 10.8 C3'-endo
28 C 6.7 -29.1 39.2 -36.5 18.8 39.7 9.2 C3'-endo
29 G -0.6 -24.2 38.2 -39.4 25.3 40.5 19.2 C3'-endo
30 G 6.9 -27.7 36.9 -33.8 17.0 37.3 8.1 C3'-endo
31 G -3.2 -20.0 34.1 -37.0 25.4 37.2 23.5 C3'-endo
32 G -1.1 -17.3 27.9 -29.5 19.3 29.9 20.8 C3'-endo
33 G 4.0 -24.0 33.9 -32.6 18.1 34.7 12.3 C3'-endo
34 U 4.0 -24.5 34.5 -33.4 18.5 35.4 12.4 C3'-endo
35 C 0.2 -22.1 34.3 -35.3 22.2 36.2 18.4 C3'-endo
36 G -1.1 -23.6 37.9 -39.5 25.7 40.3 20.1 C3'-endo
37 G 1.9 -24.7 36.7 -36.6 22.0 38.1 15.9 C3'-endo
38 u 1.6 -23.8 35.8 -35.8 21.6 37.3 16.2 C3'-endo
39 P 14.4 -31.5 35.7 -28.5 8.9 35.8 355.6 C2'-exo
40 G 0.5 -23.0 35.7 -36.5 22.7 37.5 18.1 C3'-endo
41 C 2.8 -24.6 35.7 -35.3 20.5 36.9 14.5 C3'-endo
42 U 0.3 -22.6 34.8 -35.6 22.3 36.6 18.1 C3'-endo
43 C 0.5 -23.0 35.6 -36.4 22.5 37.4 17.9 C3'-endo
44 G 0.4 -22.1 34.2 -35.0 21.9 35.9 18.1 C3'-endo
45 U -1.1 -21.7 34.9 -36.6 23.8 37.2 20.4 C3'-endo
46 C 1.3 -24.4 37.2 -37.3 22.6 38.9 16.6 C3'-endo
47 G 4.6 -26.7 37.5 -35.9 19.7 38.3 11.8 C3'-endo
48 G -2.4 -21.5 35.7 -38.1 25.5 38.5 22.0 C3'-endo
49 G -1.0 -22.0 35.2 -36.8 24.0 37.5 20.2 C3'-endo
50 G -3.7 -17.6 30.6 -33.8 23.7 33.7 24.8 C3'-endo
51 C -16.4 31.0 -33.0 24.5 -5.2 33.5 170.1 C2'-endo
52 G -22.6 35.8 -34.4 22.6 -0.2 36.3 161.4 C2'-endo
53 U -3.7 -21.5 37.1 -40.3 27.6 40.6 23.7 C3'-endo

Strand II
base v0 v1 v2 v3 v4 tm P Puckering
1 C 0.2 -23.3 36.2 -36.9 23.2 38.1 18.2 C3'-endo
2 G 7.5 -29.2 38.8 -35.5 17.7 39.2 7.8 C3'-endo
3 C 0.9 -23.6 36.1 -36.7 22.6 37.9 17.3 C3'-endo
4 C -0.6 -22.5 35.9 -37.1 23.7 38.1 19.4 C3'-endo
5 C 2.1 -23.3 34.4 -34.2 20.2 35.6 15.3 C3'-endo
6 C 5.7 -28.0 38.4 -36.1 19.2 39.0 10.4 C3'-endo
7 C 2.1 -24.6 36.6 -36.4 21.6 37.9 15.5 C3'-endo
8 G 1.8 -24.8 37.2 -37.2 22.3 38.7 16.0 C3'-endo
9 G -0.2 -22.2 34.9 -36.1 22.9 36.9 19.0 C3'-endo
10 C 1.2 -22.7 34.5 -34.9 21.2 36.1 16.8 C3'-endo
11 C -0.1 -22.0 34.5 -35.6 22.5 36.5 18.8 C3'-endo
12 A -20.9 35.0 -34.8 23.8 -2.0 36.2 164.3 C2'-endo
13 G -17.3 30.9 -32.0 22.9 -3.7 32.7 167.6 C2'-endo
14 C 3.9 -25.3 36.0 -34.8 19.5 37.0 12.7 C3'-endo
15 G 4.9 -27.2 38.0 -36.1 19.7 38.8 11.5 C3'-endo
16 A 1.3 -24.0 36.2 -36.4 22.2 37.8 16.6 C3'-endo
17 G 3.8 -25.6 36.1 -35.1 19.8 37.1 12.9 C3'-endo
18 A 2.6 -23.5 34.5 -34.1 19.9 35.6 14.7 C3'-endo
19 A 1.0 -22.8 34.7 -35.0 21.5 36.3 17.1 C3'-endo
20 G -0.9 -24.0 38.0 -39.7 25.7 40.4 19.9 C3'-endo
21 C 0.1 -23.0 36.0 -37.0 23.3 38.0 18.6 C3'-endo
22 C 1.5 -23.6 35.8 -36.0 21.8 37.4 16.5 C3'-endo
23 C -2.8 -18.4 31.7 -34.2 23.0 34.5 23.1 C3'-endo
24 C -21.2 34.6 -34.3 22.9 -1.3 35.8 163.4 C2'-endo
25 C 4.8 -25.2 35.1 -33.3 18.0 35.8 11.2 C3'-endo
26 A -2.6 -21.4 35.9 -38.5 25.9 38.8 22.4 C3'-endo
27 C 1.8 -24.1 35.9 -35.9 21.5 37.3 15.9 C3'-endo
28 G 4.0 -26.3 37.6 -36.1 20.2 38.5 12.7 C3'-endo
29 C 1.2 -23.3 35.3 -35.5 21.8 36.9 16.9 C3'-endo
30 C 1.9 -23.9 35.4 -35.4 21.2 36.8 15.8 C3'-endo
31 C 1.8 -23.2 34.6 -34.6 20.6 35.9 15.8 C3'-endo
32 C 6.3 -28.4 38.5 -35.9 18.6 39.0 9.4 C3'-endo
33 C 1.0 -24.0 36.6 -37.0 22.6 38.3 17.1 C3'-endo
34 G 1.2 -24.1 36.7 -37.0 22.5 38.3 16.8 C3'-endo
35 G 0.5 -22.0 33.8 -34.6 21.5 35.6 17.9 C3'-endo
36 C -0.3 -22.1 34.7 -35.9 22.8 36.7 19.1 C3'-endo
37 C -2.1 -20.1 33.4 -35.6 23.7 36.0 22.0 C3'-endo
38 A -21.1 34.5 -33.9 22.8 -1.2 35.4 163.1 C2'-endo
39 G -5.6 21.6 -28.3 26.2 -13.2 28.5 188.0 C3'-exo
40 C 4.4 -24.8 34.6 -33.2 18.2 35.4 11.7 C3'-endo
41 G 5.5 -28.0 39.0 -36.5 19.7 39.7 10.7 C3'-endo
42 A 2.6 -24.6 36.0 -35.8 21.0 37.3 14.9 C3'-endo
43 G 5.4 -26.4 36.2 -34.1 18.2 36.8 10.5 C3'-endo
44 A 2.3 -23.5 34.4 -34.3 20.2 35.6 15.1 C3'-endo
45 A 2.3 -23.4 34.3 -34.0 20.1 35.5 15.1 C3'-endo
46 G 1.6 -25.2 37.8 -37.9 22.8 39.4 16.2 C3'-endo
47 C -0.6 -22.6 36.0 -37.3 23.8 38.2 19.4 C3'-endo
48 C 0.1 -22.4 34.8 -35.8 22.6 36.7 18.5 C3'-endo
49 C 2.6 -23.3 33.6 -33.1 19.4 34.6 14.5 C3'-endo
50 C -24.4 35.3 -31.9 19.0 3.2 34.9 155.9 C2'-endo
51 A -1.7 -20.2 33.0 -35.0 23.1 35.4 21.3 C3'-endo
52 C 2.7 -24.0 35.1 -34.6 20.2 36.3 14.5 C3'-endo
53 A 2.0 -21.1 31.0 -30.9 18.4 32.1 15.3 C3'-endo
****************************************************************************
Same strand P--P and C1'--C1' virtual bond distances

Strand I Strand II
base P--P C1'--C1' base P--P C1'--C1'
1 G/C 6.1 6.1 1 C/G 5.3 5.6
2 C/G 5.4 5.5 2 G/C 6.3 5.8
3 G/G 6.3 5.7 3 C/C 5.5 5.4
4 G/G 5.9 5.5 4 C/C 5.9 5.8
5 G/G 6.3 5.9 5 C/C 5.9 5.5
6 G/G 7.8 5.8 6 C/C 5.9 5.8
7 G/U 5.5 5.8 7 C/G 5.4 5.0
8 U/C 5.7 5.6 8 G/G 6.0 5.8
9 C/G 5.5 4.8 9 G/C 5.4 5.6
10 G/G 6.4 6.0 10 C/C 5.4 6.3
11 G/u 5.9 5.8 11 C/A 14.4 8.3
12 u/P 5.3 5.4 12 A/G 14.7 6.5
13 P/G --- --- 13 G/C --- ---
14 G/C 5.8 5.6 14 C/G 5.8 5.4
15 C/U 5.5 5.5 15 G/A 5.5 5.7
16 U/C 5.9 5.3 16 A/G 5.7 6.2
17 C/G 6.9 5.6 17 G/A 14.7 11.7
18 G/U 5.6 5.4 18 A/A 5.9 5.3
19 U/C 5.5 5.6 19 A/G 5.9 5.4
20 C/G 5.7 5.5 20 G/C 5.7 5.4
21 G/G 5.5 5.1 21 C/C 5.6 5.5
22 G/G 6.1 5.7 22 C/C 5.5 5.3
23 G/G --- --- 23 C/C --- ---
24 G/G --- --- 24 C/C --- ---
25 G/U --- --- 25 C/A --- ---
26 U/G --- --- 26 A/C --- ---
27 G/C 5.5 6.1 27 C/G 5.2 5.7
28 C/G 5.2 5.5 28 G/C 6.4 5.8
29 G/G 6.3 5.6 29 C/C 5.5 5.3
30 G/G 6.1 5.6 30 C/C 5.9 5.8
31 G/G 6.4 5.9 31 C/C 5.8 5.7
32 G/G 7.8 5.7 32 C/C 6.0 5.6
33 G/U 5.4 5.9 33 C/G 5.5 5.2
34 U/C 5.5 5.5 34 G/G 6.0 5.9
35 C/G 5.6 4.7 35 G/C 5.3 5.6
36 G/G 6.3 5.9 36 C/C 5.6 6.2
37 G/u 5.9 6.0 37 C/A 14.6 8.4
38 u/P 5.4 5.5 38 A/G 14.9 6.1
39 P/G --- --- 39 G/C --- ---
40 G/C 5.7 5.5 40 C/G 5.7 5.3
41 C/U 5.6 5.8 41 G/A 5.6 5.8
42 U/C 5.9 5.2 42 A/G 5.4 6.2
43 C/G 6.7 5.6 43 G/A 14.9 11.8
44 G/U 5.7 5.4 44 A/A 5.8 5.3
45 U/C 5.6 5.7 45 A/G 5.8 5.4
46 C/G 5.7 5.5 46 G/C 5.7 5.4
47 G/G 5.4 5.2 47 C/C 6.0 5.6
48 G/G 6.3 5.6 48 C/C 5.6 5.6
49 G/G --- --- 49 C/C --- ---
50 G/C 5.8 6.7 50 C/A 5.8 5.0
51 C/G --- --- 51 A/C --- ---
52 G/U --- --- 52 C/A --- ---
****************************************************************************
Helix radius (radial displacement of P, O4', and C1' atoms in local helix
frame of each dimer)

Strand I Strand II
step P O4' C1' P O4' C1'
1 GC/GC 11.9 11.3 10.5 6.9 7.6 7.3
2 CG/CG 8.8 9.3 9.3 12.1 13.0 12.3
3 GG/CC 8.5 9.0 8.4 10.4 9.7 8.9
4 GG/CC 12.8 12.1 11.5 8.8 10.0 9.6
5 GG/CC 11.1 10.2 9.4 7.7 8.0 7.5
6 GG/CC 8.0 8.9 8.2 9.1 9.0 8.3
7 GU/GC 10.0 8.1 7.2 7.8 6.7 6.1
8 UC/GG 10.1 10.1 9.5 9.8 10.8 10.3
9 CG/CG 9.1 8.8 8.3 10.8 10.7 10.0
10 GG/CC 10.4 10.0 9.3 9.7 9.6 9.1
11 Gu/AC 9.8 8.7 7.7 7.1 5.2 4.6
12 uP/GA 5.5 3.3 2.1 6.5 8.3 7.6
13 PG/CG ---- ---- ---- ---- ---- ----
14 GC/GC 9.7 8.7 8.0 9.8 7.4 6.8
15 CU/AG 7.6 7.8 7.3 10.0 9.9 9.2
16 UC/GA 11.2 9.4 8.9 10.7 11.0 10.4
17 CG/AG 6.3 6.8 6.5 11.2 11.1 10.4
18 GU/AA 6.8 6.2 5.6 11.5 9.7 8.9
19 UC/GA 9.7 8.5 7.6 8.4 7.4 6.7
20 CG/CG 7.2 8.5 8.1 11.4 10.8 10.2
21 GG/CC 9.9 9.7 9.2 10.6 10.4 9.8
22 GG/CC 10.8 10.0 9.4 8.2 8.5 8.0
23 GG/CC ---- ---- ---- ---- ---- ----
24 GG/CC ---- ---- ---- ---- ---- ----
25 GU/AC ---- ---- ---- ---- ---- ----
26 UG/CA ---- ---- ---- ---- ---- ----
27 GC/GC 11.5 11.2 10.5 7.3 8.1 7.8
28 CG/CG 9.6 10.2 10.1 12.5 13.3 12.6
29 GG/CC 8.5 8.9 8.2 9.9 9.2 8.4
30 GG/CC 11.5 11.2 10.7 9.5 10.4 9.9
31 GG/CC 11.5 11.0 10.1 7.4 8.3 7.9
32 GG/CC 8.5 8.9 8.0 8.2 8.0 7.4
33 GU/GC 9.3 7.4 6.6 8.6 7.2 6.5
34 UC/GG 9.9 9.7 9.1 9.2 10.3 9.8
35 CG/CG 9.3 9.3 8.7 10.1 10.3 9.6
36 GG/CC 10.3 9.6 8.9 9.9 9.3 8.7
37 Gu/AC 10.1 8.9 7.9 7.2 5.1 4.6
38 uP/GA 4.7 2.9 2.0 7.2 8.4 7.8
39 PG/CG ---- ---- ---- ---- ---- ----
40 GC/GC 9.8 8.9 8.1 9.8 7.3 6.7
41 CU/AG 8.5 8.2 7.5 9.3 9.0 8.2
42 UC/GA 10.7 9.6 9.3 11.8 11.9 11.4
43 CG/AG 6.3 6.7 6.4 10.6 11.0 10.3
44 GU/AA 6.2 5.7 5.1 12.0 9.8 9.0
45 UC/GA 9.6 8.5 7.6 8.5 7.6 6.9
46 CG/CG 8.2 9.3 8.8 10.7 10.6 10.0
47 GG/CC 9.7 9.2 8.7 10.8 10.5 9.8
48 GG/CC 11.1 10.3 9.6 8.5 8.8 8.3
49 GG/CC ---- ---- ---- ---- ---- ----
50 GC/AC 7.4 4.4 3.9 10.0 6.2 4.8
51 CG/CA ---- ---- ---- ---- ---- ----
52 GU/AC ---- ---- ---- ---- ---- ----
****************************************************************************
Position (Px, Py, Pz) and local helical axis vector (Hx, Hy, Hz)
for each dinucleotide step

bp Px Py Pz Hx Hy Hz
1 GC/GC 64.24 18.35 -3.52 -0.29 -0.65 -0.70
2 CG/CG 56.86 16.54 -4.82 -0.53 -0.23 -0.82
3 GG/CC 58.54 14.37 -10.32 -0.14 -0.29 -0.95
4 GG/CC 56.61 12.45 -9.08 -0.64 -0.12 -0.76
5 GG/CC 56.72 9.90 -13.37 -0.46 -0.35 -0.82
6 GG/CC 56.20 9.34 -16.74 -0.43 -0.41 -0.81
7 GU/GC 54.18 6.50 -17.39 -0.70 -0.27 -0.67
8 UC/GG 54.71 7.62 -23.10 -0.15 -0.65 -0.74
9 CG/CG 54.09 4.57 -24.19 -0.33 -0.48 -0.81
10 GG/CC 53.22 4.90 -26.63 -0.24 -0.37 -0.90
11 Gu/AC 50.31 6.34 -29.82 -0.30 -0.26 -0.92
12 uP/GA 46.27 5.77 -31.75 -0.18 -0.54 -0.82
13 PG/CG ---- ---- ---- ---- ---- ----
14 GC/GC 71.77 9.35 -29.00 1.00 -0.08 -0.04
15 CU/AG 73.97 8.58 -31.43 0.89 0.00 -0.46
16 UC/GA 74.25 7.50 -33.23 0.76 -0.38 -0.54
17 CG/AG 79.27 7.45 -33.77 0.96 -0.25 -0.11
18 GU/AA 81.62 5.38 -33.35 0.91 -0.30 -0.29
19 UC/GA 82.55 4.70 -36.54 0.95 0.13 -0.27
20 CG/CG 87.67 5.92 -34.98 0.90 -0.39 -0.21
21 GG/CC 88.86 6.10 -35.32 1.00 0.00 -0.10
22 GG/CC 91.27 7.21 -36.18 0.99 -0.12 0.01
23 GG/CC ---- ---- ---- ---- ---- ----
24 GG/CC ---- ---- ---- ---- ---- ----
25 GU/AC ---- ---- ---- ---- ---- ----
26 UG/CA ---- ---- ---- ---- ---- ----
27 GC/GC 65.20 -18.07 -2.63 -0.31 -0.57 -0.76
28 CG/CG 58.54 -20.51 -3.26 -0.47 -0.35 -0.81
29 GG/CC 61.01 -21.66 -9.26 -0.14 -0.32 -0.94
30 GG/CC 58.68 -23.20 -9.24 -0.51 -0.16 -0.84
31 GG/CC 58.44 -26.08 -12.32 -0.40 -0.23 -0.89
32 GG/CC 58.89 -27.61 -15.53 -0.45 -0.41 -0.79
33 GU/GC 57.52 -29.96 -17.46 -0.70 -0.39 -0.60
34 UC/GG 57.40 -28.40 -21.80 -0.04 -0.57 -0.82
35 CG/CG 57.08 -30.76 -23.75 -0.22 -0.53 -0.82
36 GG/CC 55.92 -31.21 -25.95 -0.19 -0.27 -0.95
37 Gu/AC 53.43 -29.77 -29.24 -0.24 -0.24 -0.94
38 uP/GA 49.40 -30.66 -30.71 -0.30 -0.39 -0.87
39 PG/CG ---- ---- ---- ---- ---- ----
40 GC/GC 74.61 -24.70 -27.92 1.00 0.06 -0.02
41 CU/AG 76.82 -24.98 -29.47 0.91 -0.08 -0.42
42 UC/GA 77.57 -26.16 -33.31 0.88 -0.18 -0.44
43 CG/AG 82.09 -25.48 -32.35 0.97 -0.11 -0.20
44 GU/AA 85.43 -27.36 -31.94 0.90 -0.35 -0.26
45 UC/GA 85.89 -27.73 -35.43 0.94 0.24 -0.25
46 CG/CG 90.46 -25.55 -34.16 0.96 -0.23 -0.16
47 GG/CC 92.41 -26.22 -34.50 0.98 0.12 -0.14
48 GG/CC 94.92 -24.17 -35.08 1.00 0.01 -0.04
49 GG/CC ---- ---- ---- ---- ---- ----
50 GC/AC 64.36 -23.89 -29.01 -0.96 0.06 0.29
51 CG/CA ---- ---- ---- ---- ---- ----
52 GU/AC ---- ---- ---- ---- ---- ----