Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.cmm.msu.ru/~anya_fbb/1YFG_old.out Дата изменения: Wed Sep 30 03:12:25 2009 Дата индексирования: Tue Oct 2 01:26:20 2012 Кодировка:

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This structure contains intra-chain direction reverse
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3DNA (v1.5, Nov. 2002) by Xiang-Jun Lu at Wilma K. Olson's Lab.
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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: 1YFG_old.pdb
Date and time: Wed Sep 30 03:12:24 2009

Number of base-pairs: 30
Number of atoms: 1639
****************************************************************************
HEADER T-RNA 08-MAY-97 1YFG
TITLE YEAST INITIATOR TRNA
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: YEAST INITIATOR TRNA;
COMPND 3 CHAIN: A
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE;
SOURCE 3 ORGANISM_COMMON: BAKER'S YEAST;
SOURCE 4 ORGANISM_TAXID: 4932
KEYWDS AMINO ACID TRANSPORT, TRANSFER RIBONUCLEIC ACID, T-RNA
EXPDTA X-RAY DIFFRACTION
AUTHOR R.BASAVAPPA,P.B.SIGLER
REVDAT 2 24-FEB-09 1YFG 1 VERSN
REVDAT 1 03-SEP-97 1YFG 0
JRNL AUTH R.BASAVAPPA,P.B.SIGLER
JRNL TITL THE 3 A CRYSTAL STRUCTURE OF YEAST INITIATOR TRNA:
JRNL TITL 2 FUNCTIONAL IMPLICATIONS IN INITIATOR/ELONGATOR
JRNL TITL 3 DISCRIMINATION.
JRNL REF EMBO J. V. 10 3105 1991
JRNL REFN ISSN 0261-4189
JRNL PMID 1915284
****************************************************************************
RMSD of the bases (----- for WC bp, + for isolated bp, x for helix change)

Strand I Strand II Helix
1 (0.020) A:...1_:[..A]A-----U[..U]:..72_:A (0.031) |
2 (0.021) A:...2_:[..G]G-----C[..C]:..71_:A (0.021) |
3 (0.015) A:...3_:[..C]C-----G[..G]:..70_:A (0.019) |
4 (0.020) A:...4_:[..G]G-----C[..C]:..69_:A (0.021) |
5 (0.021) A:...5_:[..C]C-----G[..G]:..68_:A (0.018) |
6 (0.021) A:...6_:[..C]C-----G[..G]:..67_:A (0.019) |
7 (0.021) A:...7_:[..G]Gx----C[..C]:..66_:A (0.019) |
8 (0.027) A:..49_:[5MC]c-----G[..G]:..65_:A (0.021) |
9 (0.033) A:..50_:[..U]U-----a[RIA]:..64_:A (0.018) |
10 (0.018) A:..51_:[..C]C-----G[..G]:..63_:A (0.020) |
11 (0.021) A:..52_:[..G]G-----C[..C]:..62_:A (0.021) |
12 (0.020) A:..53_:[..G]G----xC[..C]:..61_:A (0.019) |
13 (0.022) A:..54_:[..A]A-**-xa[1MA]:..58_:A (0.016) |
14 (0.032) A:..55_:[..U]Ux**+xG[..G]:..18_:A (0.023) |
15 (0.022) A:..57_:[..G]G-**+-A[..A]:..20_:A (0.014) |
16 (0.020) A:..56_:[..C]Cx---xG[..G]:..19_:A (0.013) x
17 (0.019) A:..35_:[..A]Ax**--U[..U]:..33_:A (0.032) |
18 (0.034) A:..38_:[..A]A-*---C[..C]:..32_:A (0.022) |
19 (0.021) A:..39_:[..C]C-----G[..G]:..31_:A (0.020) |
20 (0.023) A:..40_:[..C]C-----G[..G]:..30_:A (0.023) |
21 (0.023) A:..41_:[..C]C-----G[..G]:..29_:A (0.017) |
22 (0.026) A:..42_:[..U]U-----A[..A]:..28_:A (0.020) |
23 (0.020) A:..43_:[..G]G-----C[..C]:..27_:A (0.020) |
24 (0.016) A:..44_:[..A]Ax*---g[M2G]:..26_:A (0.021) |
25 (0.019) A:..10_:[2MG]g-----C[..C]:..25_:A (0.019) |
26 (0.022) A:..11_:[..C]C-----G[..G]:..24_:A (0.018) |
27 (0.021) A:..12_:[..G]G-----C[..C]:..23_:A (0.017) |
28 (0.022) A:..13_:[..C]C----xG[..G]:..22_:A (0.019) |
29 (0.024) A:..14_:[..A]A-**-xU[..U]:...8_:A (0.030) |
30 (0.017) A:..15_:[..G]G-**+-c[5MC]:..48_:A (0.020) |

Note: This structure contains 8[6] non-Watson-Crick base-pairs.
****************************************************************************
Detailed H-bond information: atom-name pair and length [ON]
1 A-----U [2] N6 - O4 2.97 N1 - N3 2.86
2 G-----C [3] O6 - N4 2.89 N1 - N3 2.85 N2 - O2 3.01
3 C-----G [3] O2 - N2 2.87 N3 - N1 2.88 N4 - O6 2.94
4 G-----C [3] O6 - N4 2.83 N1 - N3 2.87 N2 - O2 2.80
5 C-----G [3] O2 - N2 2.81 N3 - N1 2.88 N4 - O6 2.91
6 C-----G [3] O2 - N2 2.80 N3 - N1 2.83 N4 - O6 2.85
7 G-----C [3] O6 - N4 2.80 N1 - N3 2.79 N2 - O2 2.78
8 c-----G [3] O2 - N2 2.87 N3 - N1 2.85 N4 - O6 2.81
9 U-----a [2] N3 - N1 2.95 O4 - N6 2.91
10 C-----G [3] O2 - N2 2.83 N3 - N1 2.83 N4 - O6 2.79
11 G-----C [3] O6 - N4 2.90 N1 - N3 2.78 N2 - O2 2.77
12 G-----C [3] O6 - N4 2.80 N1 - N3 2.84 N2 - O2 2.86
13 A-**--a [2] N6 - N7 2.76 N1 - N6 2.78
14 U-**+-G [2] O2'- O6 3.69 O2 - N1 2.62
15 G-**+-A [2] N2 - N1 2.82 N3 - N6 2.78
16 C-----G [3] O2 - N2 2.78 N3 - N1 2.75 N4 - O6 2.69
17 A-**--U [2] O2P* O4 3.95 N7 * O2 2.46
18 A-*---C [1] N1 - N4 2.42
19 C-----G [3] O2 - N2 2.85 N3 - N1 2.93 N4 - O6 2.90
20 C-----G [3] O2 - N2 3.05 N3 - N1 2.92 N4 - O6 2.70
21 C-----G [3] O2 - N2 2.87 N3 - N1 2.87 N4 - O6 2.94
22 U-----A [2] N3 - N1 2.80 O4 - N6 2.95
23 G-----C [3] O6 - N4 2.85 N1 - N3 2.95 N2 - O2 2.96
24 A-*---g [1] N1 * O6 2.72
25 g-----C [3] O6 - N4 2.84 N1 - N3 2.85 N2 - O2 2.88
26 C-----G [3] O2 - N2 2.88 N3 - N1 2.84 N4 - O6 2.84
27 G-----C [3] O6 - N4 2.86 N1 - N3 2.91 N2 - O2 2.93
28 C-----G [3] O2 - N2 2.82 N3 - N1 2.84 N4 - O6 2.87
29 A-**--U [3] O2P* O4 3.65 N7 - N3 2.82 N6 - O2 2.93
30 G-**+-c [2] N1 - O2 2.78 N2 - N3 2.88
****************************************************************************
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 AG/CU 1.57( 1.52) 0.00( 0.00) 0.30( 0.00) 0.00( 0.00) 1.87( 1.52)
2 GC/GC 5.89( 2.76) 0.00( 0.00) 0.00( 0.00) 6.62( 3.53) 12.50( 6.29)
3 CG/CG 0.00( 0.00) 0.00( 0.00) 4.95( 1.95) 0.00( 0.00) 4.95( 1.95)
4 GC/GC 6.61( 3.53) 0.00( 0.00) 0.00( 0.00) 5.54( 2.39) 12.15( 5.93)
5 CC/GG 0.00( 0.00) 0.00( 0.00) 0.60( 0.00) 2.93( 1.41) 3.53( 1.41)
6 CG/CG 0.00( 0.00) 0.00( 0.00) 5.13( 2.33) 0.00( 0.00) 5.13( 2.33)
7 Gc/GC 5.60( 0.92) 0.00( 0.00) 0.00( 0.00) 5.70( 2.70) 11.30( 3.61)
8 cU/aG 0.00( 0.00) 0.00( 0.00) 0.59( 0.00) 3.25( 2.12) 3.84( 2.12)
9 UC/Ga 0.05( 0.00) 0.00( 0.00) 0.00( 0.00) 3.93( 2.55) 3.98( 2.55)
10 CG/CG 0.00( 0.00) 0.00( 0.00) 4.45( 1.71) 0.00( 0.00) 4.45( 1.71)
11 GG/CC 3.25( 1.74) 0.00( 0.00) 0.82( 0.00) 0.00( 0.00) 4.07( 1.74)
12 GA/aC 2.36( 0.83) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 2.36( 0.83)
13 AU/Ga 2.71( 0.25) 0.00( 0.00) 0.00( 0.00) 6.39( 1.64) 9.10( 1.89)
14 UG/AG 0.00( 0.00) 0.00( 0.00) 4.49( 1.65) 0.00( 0.00) 4.49( 1.65)
15 GC/GA 0.32( 0.01) 3.11( 0.86) 0.00( 0.00) 1.09( 0.01) 4.52( 0.88)
16 CA/UG 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
17 AA/CU 6.62( 4.73) 0.00( 0.00) 0.00( 0.00) 2.79( 1.11) 9.42( 5.84)
18 AC/GC 4.21( 3.03) 0.00( 0.00) 0.00( 0.00) 0.84( 0.00) 5.05( 3.03)
19 CC/GG 0.00( 0.00) 0.00( 0.00) 1.22( 0.00) 3.41( 1.75) 4.63( 1.75)
20 CC/GG 0.14( 0.04) 0.00( 0.00) 0.23( 0.00) 4.45( 3.20) 4.82( 3.24)
21 CU/AG 2.14( 0.16) 0.00( 0.00) 0.00( 0.00) 3.71( 3.10) 5.85( 3.26)
22 UG/CA 0.00( 0.00) 0.00( 0.00) 1.89( 1.01) 0.23( 0.00) 2.13( 1.01)
23 GA/gC 2.10( 0.34) 0.00( 0.00) 0.00( 0.00) 3.84( 1.75) 5.95( 2.09)
24 Ag/Cg 0.00( 0.00) 0.00( 0.00) 1.58( 0.00) 1.30( 0.21) 2.88( 0.21)
25 gC/GC 2.46( 0.36) 0.00( 0.00) 0.00( 0.00) 6.80( 3.50) 9.26( 3.86)
26 CG/CG 0.08( 0.00) 0.00( 0.00) 3.38( 0.78) 0.12( 0.00) 3.58( 0.78)
27 GC/GC 6.07( 2.09) 0.00( 0.00) 0.00( 0.00) 2.75( 0.48) 8.82( 2.57)
28 CA/UG 0.00( 0.00) 3.25( 0.45) 3.50( 0.84) 0.00( 0.00) 6.75( 1.29)
29 AG/cU 3.38( 1.14) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 3.38( 1.14)
****************************************************************************
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 A-U -1.36 10.94 -1.85 0.05 0.16 -0.99
2 G-C -2.75 12.04 -5.25 0.12 0.25 -0.96
3 C-G -3.21 13.84 -8.22 0.21 0.28 -0.94
4 G-C -3.10 16.42 -10.35 0.32 0.30 -0.90
5 C-G -1.36 18.34 -12.56 0.40 0.28 -0.87
6 C-G 1.73 20.33 -14.35 0.47 0.20 -0.86
7 G-C 4.72 20.76 -15.73 0.49 -0.06 -0.87
8 c-G 8.31 20.02 -17.75 0.40 -0.09 -0.91
9 U-a 11.24 18.08 -19.36 0.41 -0.09 -0.91
10 C-G 12.23 16.32 -22.19 0.35 -0.07 -0.93
11 G-C 11.99 14.97 -25.86 0.30 -0.03 -0.95
12 G-C 10.89 14.47 -29.77 0.23 0.05 -0.97
13 A-a 6.85 14.15 -33.78 0.23 -0.05 -0.97
14 U+G 10.78 16.31 -36.06 0.38 0.07 -0.92
15 G+A 6.39 17.47 -40.10 0.28 0.12 0.95
16 C-G 8.33 16.77 -44.03 -0.05 -0.07 1.00
17 A-U -26.95 52.84 -33.26 0.75 -0.66 0.02
18 A-C -22.47 49.90 -36.52 0.82 -0.58 -0.00
19 C-G -18.20 50.17 -35.61 0.85 -0.52 0.11
20 C-G -14.19 50.35 -36.16 0.75 -0.62 0.24
21 C-G -10.78 49.66 -34.55 0.75 -0.63 0.20
22 U-A -8.30 48.15 -33.27 0.59 -0.73 0.34
23 G-C -5.87 45.72 -30.89 0.45 -0.87 0.18
24 A-g -4.75 43.15 -28.20 0.32 -0.93 0.15
25 g-C -6.33 39.58 -24.47 0.10 -0.99 0.01
26 C-G -8.08 36.34 -24.86 0.21 -0.98 -0.01
27 G-C -7.51 32.80 -26.12 0.38 -0.92 -0.04
28 C-G -4.42 30.84 -27.92 0.44 -0.89 -0.16
29 A-U -4.16 27.58 -30.04 0.33 -0.92 -0.20
30 G+c 0.54 26.22 -30.50 0.49 -0.87 -0.02
****************************************************************************
Local base-pair parameters
bp Shear Stretch Stagger Buckle Propeller Opening
1 A-U 0.38 -0.07 -0.16 -2.95 -18.83 0.11
2 G-C 0.27 -0.16 0.13 -5.50 -26.38 -3.84
3 C-G 0.70 -0.34 0.52 -8.51 -12.33 -2.12
4 G-C -0.01 -0.19 0.44 4.50 -6.42 -2.51
5 C-G 0.43 -0.24 0.30 8.00 -7.60 -1.40
6 C-G -0.33 -0.22 0.62 -2.36 -14.36 -3.12
7 G-C -0.27 -0.37 0.75 2.50 -6.19 -3.13
8 c-G -0.17 -0.27 0.83 -8.19 -11.31 -6.27
9 U-a -0.46 0.01 0.13 -2.28 -8.84 -6.54
10 C-G 0.13 -0.21 -0.03 5.55 -4.22 -1.73
11 G-C 0.12 -0.20 0.00 -2.06 -11.72 0.44
12 G-C 0.52 -0.16 -0.14 -11.59 -9.61 -2.70
13 A-a 3.75 1.68 0.31 12.35 6.12 -114.16
14 U+G 0.58 -5.15 0.49 18.23 1.38 -102.49
15 G+A 1.93 -3.23 -2.17 28.34 -40.87 -102.87
16 C-G -0.72 -0.38 0.64 4.16 -12.89 -6.22
17 A-U -5.03 -4.84 -0.84 -19.06 22.33 -97.50
18 A-C 3.69 0.17 0.86 8.89 27.25 -39.93
19 C-G -0.92 -0.11 -0.10 5.60 -3.47 -0.56
20 C-G -0.45 -0.12 0.19 -2.88 4.29 -7.57
21 C-G 0.82 -0.34 -0.13 7.33 -19.02 0.31
22 U-A 0.30 -0.21 -0.41 5.44 -27.03 3.27
23 G-C -0.53 -0.18 -0.11 -12.23 -8.43 -4.22
24 A-g 1.18 1.25 -0.49 -17.76 -19.87 -22.64
25 g-C 0.52 -0.17 0.12 -6.06 -17.30 -2.95
26 C-G -0.58 -0.19 -0.12 1.52 -18.59 -1.64
27 G-C 0.11 -0.09 0.09 -10.03 -13.26 -3.86
28 C-G 0.86 -0.41 -0.19 -1.50 -10.49 -0.16
29 A-U -4.14 -2.05 1.26 2.34 22.40 -96.35
30 G+c 0.08 3.58 -0.16 -2.78 1.97 155.53
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. 0.09 -0.44 0.09 -0.03 -8.11 -15.89
s.d. 1.67 1.63 0.62 10.07 14.58 49.80
****************************************************************************
Local base-pair step parameters
step Shift Slide Rise Tilt Roll Twist
1 AG/CU 0.01 -1.72 3.42 -2.44 6.01 36.45
2 GC/GC -0.11 -1.36 3.22 -2.37 5.14 34.43
3 CG/CG -0.20 -1.93 2.73 0.13 7.10 25.29
4 GC/GC 0.27 -1.29 3.14 1.04 4.54 36.90
5 CC/GG 0.12 -2.29 3.39 0.84 6.16 22.23
6 CG/CG -0.07 -1.95 2.69 -0.72 15.11 36.26
7 Gc/GC -0.78 -2.22 3.45 -4.37 4.70 35.38
8 cU/aG -1.04 -2.43 2.82 0.35 -0.92 28.56
9 UC/Ga 0.01 -1.53 3.12 -0.86 3.69 36.35
10 CG/CG 0.34 -1.83 3.45 0.29 3.98 31.05
11 GG/CC 0.08 -2.16 3.48 2.87 5.58 36.49
12 GA/aC -3.16 -3.70 2.96 -3.61 -4.29 69.76
13 AU/Ga 2.67 -2.58 3.40 7.81 7.47 55.40
14 UG/AG -2.52 3.76 -4.06 139.81 1.29 73.66
15 GC/GA 0.91 2.29 -3.69 20.89 8.13 -88.22
16 CA/UG ---- ---- ---- ---- ---- ----
17 AA/CU 0.59 -3.28 5.31 0.77 6.24 114.52
18 AC/GC 1.93 -1.84 3.47 0.11 7.74 7.80
19 CC/GG -0.72 -2.61 3.02 -9.36 6.27 35.75
20 CC/GG 0.08 -1.88 3.33 -1.48 -2.14 31.14
21 CU/AG -0.32 -0.79 3.06 0.86 13.70 24.57
22 UG/CA -0.61 -1.44 3.87 -10.29 10.38 29.76
23 GA/gC -1.30 -1.76 3.21 3.03 7.68 46.35
24 Ag/Cg -3.33 -2.49 3.43 12.53 8.73 53.05
25 gC/GC -1.00 -2.04 2.93 -4.35 4.58 24.39
26 CG/CG -0.04 -1.28 3.57 -2.32 10.09 40.07
27 GC/GC 1.55 -1.97 3.22 7.55 2.01 33.08
28 CA/UG -1.84 0.18 3.43 -4.54 -5.48 60.52
29 AG/cU 1.97 -3.14 3.23 2.43 13.96 -70.86
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. -0.23 -1.62 2.81 5.52 5.62 32.15
s.d. 1.40 1.53 1.95 27.02 4.96 37.55
****************************************************************************
Local base-pair helical parameters
step X-disp Y-disp h-Rise Incl. Tip h-Twist
1 AG/CU -3.52 -0.35 3.10 9.52 3.86 37.00
2 GC/GC -3.02 -0.17 3.00 8.62 3.97 34.88
3 CG/CG -5.70 0.48 2.11 15.81 -0.29 26.25
4 GC/GC -2.58 -0.29 2.98 7.13 -1.64 37.18
5 CC/GG -7.76 -0.03 2.67 15.59 -2.12 23.07
6 CG/CG -4.19 0.04 1.77 23.07 1.10 39.19
7 Gc/GC -4.29 0.63 3.21 7.65 7.11 35.94
8 cU/aG -4.74 2.18 2.88 -1.87 -0.72 28.58
9 UC/Ga -2.91 -0.13 2.96 5.90 1.37 36.54
10 CG/CG -4.17 -0.57 3.20 7.40 -0.53 31.30
11 GG/CC -4.16 0.27 3.12 8.83 -4.55 37.01
12 GA/aC -3.08 2.63 3.30 -3.74 3.15 69.96
13 AU/Ga -3.17 -2.36 3.37 7.95 -8.31 56.36
14 UG/AG 1.98 -0.83 -4.47 0.72 -77.63 148.08
15 GC/GA -1.42 0.14 -3.95 -5.77 14.81 -90.46
16 CA/UG ---- ---- ---- ---- ---- ----
17 AA/CU -2.06 -0.34 5.20 3.71 -0.45 114.63
18 AC/GC -19.62 -9.91 1.19 44.86 -0.65 10.99
19 CC/GG -4.80 0.04 2.64 9.91 14.80 37.43
20 CC/GG -3.07 -0.44 3.44 -3.98 2.75 31.25
21 CU/AG -4.45 0.85 2.29 29.43 -1.84 28.09
22 UG/CA -4.55 -0.92 3.24 18.84 18.68 33.08
23 GA/gC -2.79 1.86 2.81 9.67 -3.82 47.04
24 Ag/Cg -3.16 4.26 2.25 9.55 -13.70 55.05
25 gC/GC -5.84 1.19 2.64 10.62 10.08 25.18
26 CG/CG -2.95 -0.20 3.17 14.44 3.32 41.33
27 GC/GC -3.69 -1.42 3.36 3.47 -13.03 33.97
28 CA/UG 0.46 1.59 3.52 -5.42 4.49 60.89
29 AG/cU 2.18 1.76 3.65 -11.92 2.08 -72.08
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. -3.82 -0.00 2.45 8.57 -1.35 35.63
s.d. 3.75 2.36 2.01 11.51 16.64 43.17
****************************************************************************
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 A-U 56.2 52.5 10.6 8.9 9.9
2 G-C 53.1 50.2 10.8 9.0 9.8
3 C-G 57.7 52.0 10.5 8.8 9.7
4 G-C 53.5 51.2 10.7 8.9 9.8
5 C-G 54.3 51.8 10.6 8.9 9.8
6 C-G 53.8 54.4 10.7 9.0 9.8
7 G-C 51.6 56.4 10.5 8.8 9.7
8 c-G 47.6 49.9 10.9 8.9 9.7
9 U-a 47.8 54.7 11.0 9.1 10.0
10 C-G 54.0 50.8 10.7 8.9 9.8
11 G-C 53.0 53.1 10.6 8.9 9.8
12 G-C 53.1 49.4 10.8 8.9 9.8
13 A-a 16.5 24.9 12.1 9.5 7.9
14 U+G 101.9 26.2 9.2 8.4 9.9
15 G+A 97.3 18.7 9.7 8.7 9.8
16 C-G 48.5 55.2 10.7 8.9 9.6
17 A-U 37.2 54.8 7.9 6.2 5.9
18 A-C 53.1 13.5 12.5 10.2 10.2
19 C-G 50.0 61.4 10.7 9.0 9.9
20 C-G 44.5 48.0 11.2 9.1 9.9
21 C-G 58.8 51.7 10.5 8.8 9.7
22 U-A 57.8 55.1 10.4 8.8 9.7
23 G-C 48.1 53.4 10.8 9.0 9.8
24 A-g 48.4 36.0 12.8 10.6 10.9
25 g-C 55.5 50.1 10.8 9.0 9.8
26 C-G 48.9 53.8 10.8 9.0 9.8
27 G-C 51.1 49.8 10.9 9.0 9.9
28 C-G 57.2 49.9 10.5 8.8 9.6
29 A-U 21.9 33.2 9.6 7.2 6.2
30 G+c 34.7 59.3 10.6 8.9 10.3
****************************************************************************
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 AG/CU -1.62 8.18 2.26 -4.96 7.72 3.49 A
2 GC/GC -1.57 8.20 2.47 -4.48 7.77 3.57 A
3 CG/CG -1.43 8.32 2.75 -6.98 7.29 4.87 A
4 GC/GC -1.32 8.14 2.76 -3.78 7.76 3.71 A
5 CC/GG -1.64 8.07 3.01 -9.25 6.99 5.04 A
6 CG/CG -1.72 7.96 3.08 -5.67 6.24 5.83 A
7 Gc/GC -1.47 7.30 4.00 -5.49 6.73 4.91
8 cU/aG -1.58 8.16 2.98 -6.16 8.25 2.72 A
9 UC/Ga -1.31 8.25 2.55 -4.07 7.96 3.35 A
10 CG/CG -1.56 8.37 2.54 -5.58 7.99 3.57 A
11 GG/CC -1.71 7.77 2.76 -5.63 7.29 3.91 A
12 GA/aC 0.17 6.99 3.58 -2.42 7.16 3.05
13 AU/Ga 4.59 4.69 0.84 1.42 4.53 1.76
14 UG/AG 0.95 1.64 7.39 2.00 1.58 5.98
15 GC/GA -0.94 4.54 1.06 -1.82 4.56 -0.72
16 CA/UG --- --- --- --- --- --- ---
17 AA/CU 0.21 7.95 4.05 -0.91 7.81 4.31
18 AC/GC -0.25 8.62 2.89 -19.78 4.09 8.12
19 CC/GG -2.13 8.34 2.89 -6.62 7.74 4.33 A
20 CC/GG -2.02 8.42 2.51 -4.94 8.57 1.92 A
21 CU/AG -1.91 8.58 1.66 -6.24 6.73 5.57 A
22 UG/CA -2.31 8.37 2.03 -6.55 7.31 4.53 A
23 GA/gC -1.63 8.34 2.62 -4.11 7.84 3.86 A
24 Ag/Cg -2.70 7.07 4.09 -5.57 6.41 4.73
25 gC/GC -1.85 8.19 2.23 -7.53 7.64 3.78 A
26 CG/CG -1.53 7.94 2.43 -4.31 7.15 4.27 A
27 GC/GC -2.16 8.70 2.08 -5.52 8.57 2.49 A
28 CA/UG -1.61 8.20 1.98 -1.19 8.32 1.08
29 AG/cU 2.99 2.07 2.10 4.74 2.41 1.91
****************************************************************************
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 AG/CU --- --- --- ---
2 GC/GC --- --- --- ---
3 CG/CG 17.1 --- 15.9 ---
4 GC/GC 17.1 15.7 16.5 13.2
5 CC/GG 17.5 15.6 16.5 14.0
6 CG/CG 17.4 15.6 17.4 15.2
7 Gc/GC 16.6 14.9 17.4 14.8
8 cU/aG 16.6 15.1 17.5 16.2
9 UC/Ga 16.9 15.6 15.5 11.6
10 CG/CG 16.6 15.2 15.3 12.5
11 GG/CC 16.2 14.5 14.4 9.3
12 GA/aC 16.9 15.2 23.0 14.8
13 AU/Ga 17.9 --- 23.5 ---
14 UG/AG --- --- --- ---
15 GC/GA --- --- --- ---
16 CA/UG --- --- --- ---
17 AA/CU --- --- --- ---
18 AC/GC --- --- --- ---
19 CC/GG 16.8 --- 17.5 ---
20 CC/GG 16.7 15.3 18.9 13.9
21 CU/AG 17.0 15.4 17.9 10.7
22 UG/CA 18.3 15.1 14.9 8.5
23 GA/gC 18.6 14.2 14.4 10.5
24 Ag/Cg 16.9 13.9 13.9 11.5
25 gC/GC 16.8 14.9 12.9 12.4
26 CG/CG 17.0 15.7 15.1 9.8
27 GC/GC 16.6 --- 8.9 ---
28 CA/UG --- --- --- ---
29 AG/cU --- --- --- ---
****************************************************************************
Global linear helical axis defined by equivalent C1' and RN9/YN1 atom pairs
Deviation from regular linear helix: 0.07(3.17)
****************************************************************************
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 A --- -179.3 46.6 89.1 -146.5 -65.2 -169.1
2 G -72.0 -171.9 59.0 79.1 -170.2 -51.3 -162.3
3 C -76.7 -173.2 46.6 76.0 176.0 -43.4 -162.3
4 G -95.7 -175.2 63.2 75.2 -165.9 -68.7 -160.0
5 C -110.3 179.1 92.4 79.1 -125.5 -91.1 -170.7
6 C -39.0 146.6 57.0 74.7 -155.8 -65.0 -174.0
7 G -87.5 -175.4 88.9 131.7 --- --- -148.4
8 c --- -166.4 142.2 90.9 -74.4 -152.5 147.0
9 U 88.5 -117.3 -157.3 95.5 -105.3 -89.0 171.2
10 C -45.4 167.9 47.1 81.8 -158.3 -89.9 -159.0
11 G 148.6 -164.8 -170.9 87.6 -127.7 -71.3 179.0
12 G -69.9 173.0 71.4 73.1 -153.8 -65.7 -175.4
13 A -95.8 -178.4 91.8 74.9 -110.5 -60.4 -170.9
14 U -66.7 173.1 63.6 81.1 --- --- -169.1
15 G --- 157.3 83.3 77.8 --- --- -176.4
16 C --- -168.8 94.4 88.2 --- --- 173.5
17 A --- 166.4 161.6 73.9 --- --- -160.6
18 A --- 166.6 -49.6 97.4 121.8 43.2 -165.7
19 C -103.4 160.4 38.5 64.8 112.5 27.0 -166.4
20 C 102.6 162.2 -176.9 86.2 -114.5 -101.1 169.5
21 C -7.5 137.7 22.8 83.1 -123.7 -83.7 -160.2
22 U -92.3 117.9 94.6 84.0 -90.8 -154.1 179.2
23 G 103.8 -98.7 171.5 82.8 -98.5 -153.1 154.8
24 A 12.1 93.7 33.3 71.8 --- --- -158.9
25 g --- 123.3 59.7 93.6 -102.1 -153.2 162.5
26 C 121.4 -104.0 173.1 77.2 -104.9 -147.6 168.6
27 G 131.4 -99.3 168.4 77.6 -99.5 -100.6 171.5
28 C 106.5 -133.0 -134.5 91.7 -136.0 -102.1 -165.1
29 A 69.2 -157.3 -100.5 98.5 -130.4 -35.5 -171.0
30 G -70.7 -173.8 44.2 82.4 --- --- -156.4

Strand II
base alpha beta gamma delta epsilon zeta chi
1 U -58.2 176.7 50.3 82.1 --- --- -149.5
2 C 151.7 -120.9 164.5 84.2 -120.5 -82.8 179.4
3 G -35.6 147.1 50.9 74.2 -159.5 -113.8 -161.6
4 C -177.1 -172.4 150.7 87.2 -102.6 -92.2 175.5
5 G -58.0 160.8 58.4 69.4 -143.2 -91.3 -174.4
6 G -57.6 175.9 38.7 87.5 -165.2 -72.1 -163.7
7 C -36.1 165.1 30.6 81.1 -160.3 -70.8 -168.6
8 G 166.9 173.9 166.5 85.2 -106.5 -94.6 174.9
9 a -79.0 -177.1 60.6 83.1 -162.4 -58.3 -162.0
10 G -75.9 166.9 73.4 77.3 -146.5 -67.6 -173.6
11 C -65.6 162.1 66.0 75.4 -129.0 -73.9 -173.7
12 C --- -170.7 91.5 79.4 -115.1 -89.2 172.6
13 a --- -171.1 105.9 76.9 --- --- -127.6
14 G --- -110.3 174.6 130.3 --- --- -118.1
15 A -155.2 -152.9 71.7 89.6 --- --- -87.1
16 G --- 172.8 23.3 149.7 -100.1 47.5 -79.1
17 U -149.1 -145.5 76.6 83.2 --- --- -161.1
18 C 79.5 -83.0 -176.7 82.8 -144.3 -22.5 148.8
19 G -110.7 -157.3 68.7 79.1 -124.9 -142.2 -166.5
20 G -155.4 65.0 152.5 83.4 -159.2 -44.5 176.4
21 G -93.9 153.4 90.8 75.6 -172.4 31.0 -172.2
22 A -60.9 -178.9 41.0 77.0 -150.0 -69.1 -145.1
23 C -53.5 173.0 41.0 82.5 -150.6 -63.7 -158.6
24 g 176.2 -169.9 157.7 82.1 -117.4 -72.4 174.9
25 C -78.7 -176.7 53.4 77.6 -168.5 -56.7 -148.3
26 G -25.7 169.5 19.7 72.8 -178.9 -26.8 -156.0
27 C -73.7 -172.2 55.0 80.3 -151.9 -85.9 -159.4
28 G --- 148.7 86.9 74.7 -154.8 -77.4 -165.9
29 U --- -156.7 71.9 83.0 --- --- -174.1
30 c --- -111.9 -171.2 135.4 --- --- -172.3
****************************************************************************
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 A 7.5 -28.0 36.9 -33.5 16.7 37.3 7.4 C3'-endo
2 G 0.6 -24.9 38.3 -38.6 24.1 40.2 17.5 C3'-endo
3 C 0.5 -27.4 42.2 -42.6 27.1 44.3 17.8 C3'-endo
4 G 1.9 -28.0 41.5 -41.6 25.4 43.2 16.1 C3'-endo
5 C 6.4 -30.1 41.2 -38.4 20.6 41.8 10.0 C3'-endo
6 C -2.3 -23.2 37.7 -40.8 27.1 40.7 22.1 C3'-endo
7 G -28.2 38.0 -34.2 18.7 5.6 38.3 153.2 C2'-endo
8 c 11.0 -33.6 42.5 -36.5 16.6 42.6 3.7 C3'-endo
9 U 3.6 -19.5 27.0 -25.7 13.4 27.5 10.9 C3'-endo
10 C -0.5 -22.8 35.8 -36.9 23.9 37.9 19.2 C3'-endo
11 G 7.8 -26.5 34.3 -31.3 14.7 34.5 6.3 C3'-endo
12 G -2.7 -24.9 40.7 -43.2 29.1 43.8 21.8 C3'-endo
13 A -7.4 -18.0 34.9 -40.0 29.8 39.8 28.9 C3'-endo
14 U -0.4 -22.9 35.5 -36.9 23.6 37.6 19.2 C3'-endo
15 G -6.2 -19.2 35.7 -40.8 29.7 40.3 27.6 C3'-endo
16 C 2.7 -24.3 35.2 -34.3 20.2 36.3 14.2 C3'-endo
17 A 4.7 -27.2 37.9 -35.9 19.6 38.7 11.5 C3'-endo
18 A 32.8 -39.4 31.2 -12.7 -12.3 39.0 323.3 C1'-endo
19 C 2.7 -29.3 42.6 -42.8 25.6 44.2 15.5 C3'-endo
20 C 4.8 -25.2 35.3 -33.7 18.2 36.0 11.4 C3'-endo
21 C -1.0 -21.5 35.4 -36.1 23.3 37.6 19.7 C3'-endo
22 U 2.6 -24.5 35.7 -35.6 21.0 37.0 15.0 C3'-endo
23 G 0.3 -21.6 32.9 -33.8 21.0 34.6 18.0 C3'-endo
24 A -5.3 -19.0 34.0 -38.5 28.0 38.1 26.8 C3'-endo
25 g 2.0 -21.5 31.6 -31.5 18.7 32.7 15.3 C3'-endo
26 C -2.4 -20.3 33.9 -36.6 24.0 36.6 22.2 C3'-endo
27 G 0.6 -23.3 35.3 -36.2 22.3 37.0 17.7 C3'-endo
28 C 4.0 -23.8 33.3 -31.4 17.8 34.0 11.8 C3'-endo
29 A 8.4 -24.8 30.8 -26.8 11.9 30.9 3.3 C3'-endo
30 G 0.4 -21.6 32.6 -33.2 21.1 34.3 17.8 C3'-endo

Strand II
base v0 v1 v2 v3 v4 tm P Puckering
1 U 3.6 -26.4 38.2 -37.5 21.8 39.4 14.0 C3'-endo
2 C -1.1 -21.7 34.0 -36.1 23.6 36.3 20.5 C3'-endo
3 G 0.4 -27.4 41.4 -43.3 27.3 43.7 18.5 C3'-endo
4 C 8.2 -26.2 33.1 -29.2 12.9 33.2 4.4 C3'-endo
5 G -3.9 -22.5 38.5 -41.7 28.6 42.0 23.6 C3'-endo
6 G 0.5 -24.9 38.5 -39.5 25.0 40.5 18.3 C3'-endo
7 C 3.9 -28.0 40.1 -38.9 22.2 41.3 13.3 C3'-endo
8 G 9.9 -32.8 41.9 -37.7 17.7 42.1 5.6 C3'-endo
9 a -0.5 -24.1 37.9 -38.9 25.0 40.1 19.1 C3'-endo
10 G -0.8 -26.4 41.3 -43.2 28.3 43.9 19.9 C3'-endo
11 C -7.3 -16.8 32.9 -39.0 28.6 37.9 29.9 C3'-endo
12 C -0.4 -24.0 37.6 -39.0 24.7 39.8 19.1 C3'-endo
13 a -9.7 7.7 -3.5 -2.5 7.8 9.7 111.1 C1'-exo
14 G -32.8 44.8 -39.1 20.5 8.2 44.5 151.5 C2'-endo
15 A 5.0 -24.1 32.8 -31.4 16.6 33.4 10.6 C3'-endo
16 G -24.6 39.0 -37.8 24.7 0.0 39.8 161.5 C2'-endo
17 U 4.6 -26.1 36.1 -35.1 19.6 36.9 12.2 C3'-endo
18 C 7.6 -30.7 40.6 -37.6 19.4 41.1 8.5 C3'-endo
19 G 0.1 -23.4 36.5 -37.7 23.9 38.6 18.7 C3'-endo
20 G 7.7 -28.8 38.0 -34.5 17.3 38.3 7.5 C3'-endo
21 G 1.0 -25.0 37.1 -37.9 23.2 38.8 17.0 C3'-endo
22 A 0.2 -23.7 36.7 -38.3 24.2 38.8 18.9 C3'-endo
23 C 0.2 -22.4 34.3 -35.3 22.5 36.2 18.5 C3'-endo
24 g 3.2 -25.5 36.7 -36.1 20.9 37.8 14.1 C3'-endo
25 C -2.4 -23.4 38.3 -41.1 27.8 41.4 22.1 C3'-endo
26 G 5.7 -30.1 41.3 -39.5 21.1 42.1 11.0 C3'-endo
27 C 4.4 -28.8 41.2 -39.5 22.7 42.2 12.9 C3'-endo
28 G -5.1 -19.5 34.6 -38.9 27.9 38.5 26.2 C3'-endo
29 U 3.9 -26.5 37.6 -36.2 20.7 38.5 12.9 C3'-endo
30 c -27.1 39.0 -36.4 21.2 3.7 39.7 156.6 C2'-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 A/G 5.4 5.5 1 U/C 6.2 6.2
2 G/C 5.9 5.5 2 C/G 6.0 4.9
3 C/G 5.7 5.5 3 G/C 6.0 5.4
4 G/C 5.9 5.3 4 C/G 5.6 5.6
5 C/C 5.8 5.1 5 G/G 5.8 5.2
6 C/G 6.1 6.1 6 G/C 5.7 5.5
7 G/c 7.7 5.8 7 C/G 6.3 5.8
8 c/U 5.7 5.9 8 G/a 6.0 5.1
9 U/C 5.8 5.8 9 a/G 5.9 5.5
10 C/G 5.7 5.1 10 G/C 5.6 5.5
11 G/G 6.2 5.7 11 C/C 5.4 5.9
12 G/A 5.8 5.8 12 C/a 13.1 8.9
13 A/U 5.4 5.2 13 a/G 12.4 5.6
14 U/G 7.0 6.7 14 G/A 12.1 7.6
15 G/C 5.4 5.0 15 A/G 6.4 7.0
16 C/A --- --- 16 G/U --- ---
17 A/A 16.8 10.2 17 U/C 7.2 7.1
18 A/C 5.9 4.8 18 C/G 5.1 5.4
19 C/C 6.5 5.8 19 G/G 6.9 6.0
20 C/C 6.0 5.2 20 G/G 6.9 5.6
21 C/U 5.4 4.7 21 G/A 5.4 4.9
22 U/G 6.0 5.4 22 A/C 5.5 5.5
23 G/A 6.2 5.8 23 C/g 6.5 6.2
24 A/g 14.3 12.1 24 g/C 5.8 4.9
25 g/C 5.8 5.8 25 C/G 5.4 5.4
26 C/G 5.9 5.6 26 G/C 5.6 5.6
27 G/C 5.8 5.6 27 C/G 6.6 6.0
28 C/A 6.6 6.1 28 G/U 17.3 9.9
29 A/G 5.6 5.1 29 U/c 10.8 4.1
****************************************************************************
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 AG/CU 8.5 8.2 7.6 9.9 9.0 8.3
2 GC/GC 8.6 8.0 7.2 9.4 8.6 7.8
3 CG/CG 10.2 10.2 9.7 10.0 9.8 9.4
4 GC/GC 8.0 7.7 7.0 9.2 8.4 7.5
5 CC/GG 11.5 11.7 11.3 11.7 11.8 11.4
6 CG/CG 9.0 8.9 8.2 7.9 8.6 8.0
7 Gc/GC 8.8 9.4 8.8 8.6 8.5 8.0
8 cU/aG 12.0 11.0 10.4 8.6 7.7 7.5
9 UC/Ga 8.8 8.1 7.4 9.1 8.3 7.5
10 CG/CG 9.2 8.5 8.1 10.3 9.5 8.9
11 GG/CC 9.2 9.0 8.5 9.2 8.9 8.3
12 GA/aC 11.2 9.9 9.1 6.6 4.9 4.9
13 AU/Ga 4.6 2.9 2.1 7.1 9.2 8.9
14 UG/AG 2.8 3.3 2.7 7.1 3.2 3.3
15 GC/GA 8.8 6.5 5.4 10.0 7.1 6.9
16 CA/UG ---- ---- ---- ---- ---- ----
17 AA/CU 8.3 5.0 4.5 8.4 6.9 6.0
18 AC/GC 20.4 20.6 21.4 24.6 25.9 25.9
19 CC/GG 10.5 9.4 8.9 9.8 9.2 8.7
20 CC/GG 9.2 7.9 7.2 10.6 8.6 7.9
21 CU/AG 9.7 9.4 8.8 8.7 8.8 8.3
22 UG/CA 8.4 8.4 8.0 11.3 9.9 9.3
23 GA/gC 10.8 9.9 9.0 6.9 6.6 6.1
24 Ag/Cg 11.6 12.1 11.1 5.4 5.5 5.5
25 gC/GC 11.6 11.0 10.4 9.9 9.4 9.2
26 CG/CG 8.7 8.1 7.4 8.1 8.3 7.6
27 GC/GC 9.9 7.4 6.9 10.6 10.0 9.2
28 CA/UG 9.7 7.4 6.5 8.4 6.1 4.9
29 AG/cU 9.5 6.5 5.4 11.8 8.7 7.4
****************************************************************************
Position (Px, Py, Pz) and local helical axis vector (Hx, Hy, Hz)
for each dinucleotide step

bp Px Py Pz Hx Hy Hz
1 AG/CU -1.00 14.62 -2.96 0.22 0.11 -0.97
2 GC/GC -0.75 14.65 -6.06 0.21 0.11 -0.97
3 CG/CG 1.98 16.36 -7.51 0.32 0.02 -0.95
4 GC/GC -0.17 16.15 -10.90 0.35 0.17 -0.92
5 CC/GG 4.62 13.22 -12.60 0.27 0.06 -0.96
6 CG/CG 3.73 16.63 -15.18 0.13 0.05 -0.99
7 Gc/GC 5.20 16.60 -17.70 0.40 0.09 -0.91
8 cU/aG 6.70 15.12 -19.39 0.40 -0.12 -0.91
9 UC/Ga 9.24 17.59 -21.90 0.41 0.02 -0.91
10 CG/CG 9.54 18.63 -24.96 0.39 0.05 -0.92
11 GG/CC 10.03 18.41 -27.89 0.37 0.13 -0.92
12 GA/aC 8.65 17.63 -31.82 0.16 -0.00 -0.99
13 AU/Ga 10.92 12.77 -33.63 0.40 -0.13 -0.91
14 UG/AG 8.91 17.33 -38.31 0.81 -0.58 0.06
15 GC/GA 7.41 16.13 -41.87 0.02 0.20 0.98
16 CA/UG ---- ---- ---- ---- ---- ----
17 AA/CU -24.02 52.26 -34.74 0.79 -0.62 0.04
18 AC/GC -25.04 57.95 -16.22 0.25 -0.88 0.41
19 CC/GG -15.60 50.58 -31.39 0.68 -0.73 -0.04
20 CC/GG -13.85 48.98 -32.90 0.80 -0.56 0.21
21 CU/AG -12.18 47.16 -30.86 0.45 -0.89 -0.12
22 UG/CA -10.01 43.61 -32.51 0.75 -0.65 -0.08
23 GA/gC -8.08 43.12 -29.64 0.43 -0.90 0.01
24 Ag/Cg -9.33 40.35 -28.92 0.34 -0.93 -0.14
25 gC/GC -4.61 37.18 -29.82 0.20 -0.95 0.24
26 CG/CG -5.25 35.28 -26.33 0.33 -0.92 0.21
27 GC/GC -3.51 33.62 -24.77 0.58 -0.81 0.02
28 CA/UG -3.48 29.90 -29.93 0.41 -0.87 -0.27
29 AG/cU -1.85 27.48 -32.46 0.52 -0.83 -0.23