Документ взят из кэша поисковой машины. Адрес оригинального документа : http://kodomo.cmm.msu.ru/~alex/Term3/Files/1qtq.out Дата изменения: Mon Feb 5 16:45:22 2007 Дата индексирования: Tue Oct 2 16:12:46 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: 1qtq.pdb
Date and time: Mon Feb 5 16:45:59 2007

Number of base-pairs: 28
Number of atoms: 6063
****************************************************************************
HEADER COMPLEX (TRNA SYNTHETASE/TRNA) 28-JAN-98 1QTQ
TITLE GLUTAMINYL-TRNA SYNTHETASE COMPLEXED WITH TRNA AND AN AMINO
TITLE 2 ACID ANALOG
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: GLUTAMINYL-TRNA SYNTHETASE;
COMPND 3 CHAIN: A;
COMPND 4 SYNONYM: GLNRS;
COMPND 5 EC: 6.1.1.18;
COMPND 6 ENGINEERED: YES;
COMPND 7 BIOLOGICAL_UNIT: MONOMER;
COMPND 8 MOL_ID: 2;
COMPND 9 MOLECULE: TRNA GLN II;
COMPND 10 CHAIN: B;
COMPND 11 BIOLOGICAL_UNIT: MONOMER
SOURCE MOL_ID: 1;
SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI;
SOURCE 3 EXPRESSION_SYSTEM: ESCHERICHIA COLI;
SOURCE 4 MOL_ID: 2;
SOURCE 5 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI
KEYWDS TRNA SYNTHETASE, GLUTAMINE, TRNAGLN, E. COLI, COMPLEX
EXPDTA X-RAY DIFFRACTION
AUTHOR V.L.RATH,L.F.SILVIAN,B.BEIJER,B.S.SPROAT,T.A.STEITZ
REVDAT 1 27-MAY-98 1QTQ 0
JRNL AUTH V.L.RATH,L.F.SILVIAN,B.BEIJER,B.S.SPROAT,T.A.STEITZ
JRNL TITL HOW GLUTAMINYL-TRNA SYNTHETASE SELECTS GLUTAMINE
JRNL REF STRUCTURE (LONDON) V. 6 439 1998
JRNL REFN ASTM STRUE6 UK ISSN 0969-2126 2005
HELIX 1 1 PHE A 10 SER A 21 1 12
HELIX 2 2 ILE A 41 ASP A 56 1 16
HELIX 3 3 PRO A 70 LYS A 72 5 3
HELIX 4 4 ILE A 75 TRP A 87 1 13
HELIX 5 5 SER A 99 ASN A 115 5 17
HELIX 6 6 PRO A 126 ARG A 133 1 8
HELIX 7 7 VAL A 150 ARG A 161 1 12
HELIX 8 8 ILE A 183 MET A 185 5 3
HELIX 9 9 TYR A 211 LEU A 221 1 11
HELIX 10 10 LEU A 231 PHE A 233 5 3
HELIX 11 11 ASN A 236 ASN A 246 5 11
HELIX 12 12 LYS A 270 THR A 278 1 9
HELIX 13 13 ILE A 293 ARG A 299 1 7
HELIX 14 14 ALA A 303 ILE A 313 1 11
HELIX 15 15 MET A 324 ASN A 338 1 15
HELIX 16 16 PRO A 372 MET A 374 5 3
HELIX 17 17 PRO A 481 ALA A 483 5 3
HELIX 18 18 PHE A 487 VAL A 490 5 4
HELIX 19 19 PRO A 505 ASP A 509 5 5
SHEET 1 A 2 HIS A 28 PHE A 31 0
SHEET 2 A 2 GLN A 60 LEU A 63 1 N GLN A 60 O THR A 29
SHEET 1 B 4 ALA A 119 ASP A 122 0
SHEET 2 B 4 CYS A 171 ALA A 174 -1 N ARG A 173 O TYR A 120
SHEET 3 B 4 VAL A 189 ILE A 193 -1 N TYR A 191 O LEU A 172
SHEET 4 B 4 ILE A 207 PRO A 209 -1 N TYR A 208 O ARG A 192
SHEET 1 C 2 HIS A 226 THR A 230 0
SHEET 2 C 2 ARG A 254 PHE A 258 1 N ARG A 254 O SER A 227
SHEET 1 D 2 PRO A 348 VAL A 352 0
SHEET 2 D 2 GLU A 384 ASP A 388 -1 N ILE A 387 O VAL A 349
SHEET 1 E 2 GLU A 361 PRO A 366 0
SHEET 2 E 2 SER A 376 PHE A 381 -1 N PHE A 381 O GLU A 361
SHEET 1 F 2 GLU A 408 ARG A 410 0
SHEET 2 F 2 VAL A 416 LYS A 418 -1 N ILE A 417 O VAL A 409
SHEET 1 G 5 LEU A 496 GLU A 504 0
SHEET 2 G 5 ALA A 464 TYR A 472 -1 N LEU A 471 O VAL A 497
SHEET 3 G 5 PRO A 536 GLY A 543 1 N PRO A 536 O GLU A 468
SHEET 4 G 5 GLY A 522 CYS A 525 -1 N CYS A 525 O ASN A 539
SHEET 5 G 5 ALA A 515 PHE A 518 -1 N PHE A 518 O GLY A 522
SHEET 1 H 2 ALA A 419 GLU A 423 0
SHEET 2 H 2 THR A 432 CYS A 435 -1 N PHE A 434 O GLU A 420
****************************************************************************
RMSD of the bases (----- for WC bp, + for isolated bp, x for helix change)

Strand I Strand II Helix
1 (0.005) B:.902_:[..G]G-----C[..C]:.971_:B (0.004) |
2 (0.007) B:.903_:[..G]G-----C[..C]:.970_:B (0.005) |
3 (0.009) B:.904_:[..G]G-----C[..C]:.969_:B (0.003) |
4 (0.003) B:.905_:[..G]G-----C[..C]:.968_:B (0.005) |
5 (0.006) B:.906_:[..U]U-----A[..A]:.967_:B (0.004) |
6 (0.004) B:.907_:[..A]Ax----U[..U]:.966_:B (0.002) |
7 (0.002) B:.949_:[..C]C-----G[..G]:.965_:B (0.003) |
8 (0.003) B:.950_:[..G]G-----C[..C]:.964_:B (0.003) |
9 (0.003) B:.951_:[..A]A-----U[..U]:.963_:B (0.002) |
10 (0.008) B:.952_:[..G]G-----C[..C]:.962_:B (0.003) |
11 (0.004) B:.953_:[..G]G----xC[..C]:.961_:B (0.004) |
12 (0.002) B:.954_:[..U]U-**-xA[..A]:.958_:B (0.004) |
13 (0.004) B:.955_:[..U]Ux**+xG[..G]:.918_:B (0.013) x
14 (0.002) B:.937_:[..A]A-*---U[..U]:.933_:B (0.004) |
15 (0.006) B:.938_:[..U]U-*---U[..U]:.932_:B (0.004) |
16 (0.003) B:.939_:[..U]U-----A[..A]:.931_:B (0.004) |
17 (0.006) B:.940_:[..C]C-*---G[..G]:.930_:B (0.010) |
18 (0.006) B:.941_:[..C]C-----G[..G]:.929_:B (0.003) |
19 (0.007) B:.942_:[..G]G-----C[..C]:.928_:B (0.003) |
20 (0.006) B:.943_:[..G]G-----C[..C]:.927_:B (0.004) |
21 (0.005) B:.944_:[..C]Cx*---A[..A]:.926_:B (0.009) |
22 (0.005) B:.910_:[..G]G-----C[..C]:.925_:B (0.003) |
23 (0.006) B:.911_:[..C]C-----G[..G]:.924_:B (0.008) |
24 (0.008) B:.912_:[..C]C----xG[..G]:.923_:B (0.005) |
25 (0.003) B:.913_:[..A]A-**+xA[..A]:.945_:B (0.005) |
26 (0.004) B:.914_:[..A]A-**-xU[..U]:.908_:B (0.009) |
27 (0.020) B:.915_:[..G]Gx**+xC[..C]:.948_:B (0.003) x
28 (0.008) B:.919_:[..G]G-----C[..C]:.956_:B (0.003) +

Note: This structure contains 9[5] non-Watson-Crick base-pairs.
****************************************************************************
Detailed H-bond information: atom-name pair and length [ON]
1 G-----C [3] O6 - N4 2.64 N1 - N3 2.98 N2 - O2 3.19
2 G-----C [3] O6 - N4 2.93 N1 - N3 2.81 N2 - O2 2.56
3 G-----C [3] O6 - N4 2.96 N1 - N3 2.84 N2 - O2 2.71
4 G-----C [3] O6 - N4 2.95 N1 - N3 2.92 N2 - O2 2.85
5 U-----A [2] N3 - N1 2.92 O4 - N6 3.23
6 A-----U [2] N6 - O4 3.01 N1 - N3 2.86
7 C-----G [3] O2 - N2 2.65 N3 - N1 2.73 N4 - O6 2.71
8 G-----C [3] O6 - N4 2.97 N1 - N3 2.83 N2 - O2 2.64
9 A-----U [2] N6 - O4 3.07 N1 - N3 2.73
10 G-----C [2] O6 * N3 3.09 N2 - O2 3.00
11 G-----C [3] O6 - N4 3.20 N1 - N3 2.98 N2 - O2 2.62
12 U-**--A [2] O2 - N6 3.17 N3 - N7 3.05
13 U-**+-G [2] O4'* O6 3.64 O2 - N2 2.96
14 A-*---U [1] N6 - O2 2.76
15 U-*---U [1] O4 - N3 2.96
16 U-----A [2] N3 - N1 3.34 O4 - N6 3.21
17 C-*---G [3] O2'- N2 3.99 O2 - N1 2.87 N3 * O6 3.98
18 C-----G [3] O2 - N2 2.89 N3 - N1 2.89 N4 - O6 2.74
19 G-----C [3] O6 - N4 3.55 N1 - N3 3.21 N2 - O2 2.77
20 G-----C [3] O6 - N4 3.02 N1 - N3 2.90 N2 - O2 2.69
21 C-*---A [2] O2 * N1 3.27 N3 - N6 3.13
22 G-----C [3] O6 - N4 3.10 N1 - N3 2.94 N2 - O2 2.67
23 C-----G [3] O2 - N2 2.56 N3 - N1 2.82 N4 - O6 2.94
24 C-----G [3] O2 - N2 2.98 N3 - N1 3.00 N4 - O6 2.91
25 A-**+-A [1] N6 - N1 3.85
26 A-**--U [3] O1P* O4 3.62 N7 - N3 2.82 N6 - O2 2.75
27 G-**+-C [2] N1 - O2 3.02 N2 - N3 2.74
28 G-----C [3] O6 - N4 2.92 N1 - N3 2.90 N2 - O2 2.83
****************************************************************************
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 GG/CC 3.64( 2.15) 0.00( 0.00) 0.23( 0.00) 0.22( 0.00) 4.10( 2.15)
2 GG/CC 3.81( 2.47) 0.00( 0.00) 0.39( 0.00) 0.00( 0.00) 4.21( 2.47)
3 GG/CC 4.01( 2.71) 0.00( 0.00) 0.44( 0.00) 0.00( 0.00) 4.45( 2.71)
4 GU/AC 5.53( 2.66) 0.00( 0.00) 0.00( 0.00) 4.34( 2.81) 9.87( 5.46)
5 UA/UA 0.67( 0.04) 0.00( 0.00) 1.10( 0.85) 0.00( 0.00) 1.77( 0.89)
6 AC/GU 2.22( 1.10) 0.00( 0.00) 0.00( 0.00) 5.96( 3.01) 8.18( 4.11)
7 CG/CG 0.00( 0.00) 0.00( 0.00) 4.53( 1.86) 0.01( 0.00) 4.55( 1.86)
8 GA/UC 3.98( 2.27) 0.00( 0.00) 0.00( 0.00) 1.27( 0.04) 5.25( 2.31)
9 AG/CU 2.32( 2.22) 0.00( 0.00) 0.59( 0.00) 0.02( 0.00) 2.92( 2.22)
10 GG/CC 4.15( 2.32) 0.00( 0.00) 0.76( 0.00) 0.00( 0.00) 4.91( 2.32)
11 GU/AC 7.14( 4.20) 0.00( 0.00) 0.00( 0.00) 3.94( 1.36) 11.08( 5.57)
12 UU/GA 5.40( 2.87) 0.00( 0.00) 0.00( 0.00) 4.81( 2.37) 10.21( 5.24)
13 UA/UG 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00)
14 AU/UU 4.20( 0.79) 0.00( 0.00) 0.00( 0.00) 3.56( 1.72) 7.77( 2.50)
15 UU/AU 3.26( 1.58) 0.00( 0.00) 0.00( 0.00) 5.98( 3.96) 9.24( 5.54)
16 UC/GA 3.01( 1.36) 0.00( 0.00) 0.00( 0.00) 1.24( 0.16) 4.25( 1.52)
17 CC/GG 0.00( 0.00) 0.00( 0.00) 0.37( 0.00) 3.03( 1.48) 3.40( 1.48)
18 CG/CG 0.00( 0.00) 0.00( 0.00) 4.33( 1.75) 0.00( 0.00) 4.33( 1.75)
19 GG/CC 2.42( 0.93) 0.00( 0.00) 0.89( 0.00) 0.00( 0.00) 3.31( 0.93)
20 GC/AC 6.90( 4.22) 0.00( 0.00) 0.00( 0.00) 5.38( 3.66) 12.28( 7.87)
21 CG/CA 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 0.94( 0.28) 0.95( 0.28)
22 GC/GC 4.63( 1.75) 0.00( 0.00) 0.00( 0.00) 6.67( 3.56) 11.30( 5.31)
23 CC/GG 0.24( 0.04) 0.00( 0.00) 0.52( 0.00) 2.81( 1.28) 3.58( 1.32)
24 CA/AG 1.67( 0.83) 0.00( 0.00) 0.00( 0.00) 0.00( 0.00) 1.67( 0.83)
25 AA/UA 0.00( 0.00) 1.97( 0.00) 0.00( 0.00) 0.00( 0.00) 1.97( 0.00)
26 AG/CU 2.31( 0.84) 0.00( 0.00) 0.22( 0.00) 0.00( 0.00) 2.53( 0.84)
27 GG/CC 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 43.32 41.11 33.84 -0.95 0.01 -0.30
2 G-C 40.49 39.41 32.64 -0.98 -0.03 -0.20
3 G-C 37.11 37.53 32.50 -0.99 -0.08 -0.14
4 G-C 33.66 35.93 34.32 -0.98 -0.09 0.16
5 U-A 30.69 35.32 35.94 -0.99 0.03 0.14
6 A-U 28.31 36.11 37.75 -0.97 0.10 0.21
7 C-G 25.54 37.26 40.04 -0.97 0.14 0.22
8 G-C 22.60 39.53 41.50 -0.97 0.20 0.13
9 A-U 19.71 41.04 41.26 -0.98 0.17 0.06
10 G-C 16.51 42.39 39.71 -0.99 0.11 -0.07
11 G-C 13.28 42.02 37.16 -0.99 -0.01 -0.15
12 U-A 10.85 41.64 33.42 -0.98 0.03 -0.17
13 U+G 7.33 40.88 35.20 -1.00 -0.08 -0.03
14 A-U 19.24 -6.49 19.59 -0.52 0.86 0.03
15 U-U 15.90 -4.58 19.12 -0.37 0.92 0.13
16 U-A 13.78 -2.43 21.59 -0.42 0.86 0.30
17 C-G 13.64 1.06 24.77 -0.33 0.93 0.14
18 C-G 11.62 2.76 26.99 -0.09 0.97 0.23
19 G-C 13.09 6.14 28.91 0.04 1.00 0.09
20 G-C 15.54 9.01 29.74 0.15 0.99 -0.03
21 C-A 17.50 11.90 29.30 0.20 0.97 -0.12
22 G-C 22.36 14.61 29.39 0.08 0.96 -0.26
23 C-G 22.49 17.31 27.04 0.08 0.97 -0.22
24 C-G 20.71 20.08 25.36 -0.00 0.98 -0.22
25 A+A 18.15 23.56 29.36 -0.16 0.98 0.09
26 A-U 16.83 26.36 26.27 -0.24 0.96 -0.12
27 G+C 15.91 29.49 29.72 -0.05 0.98 0.20
28 G-C 1.33 40.30 28.92 -0.92 -0.05 -0.39
****************************************************************************
Local base-pair parameters
bp Shear Stretch Stagger Buckle Propeller Opening
1 G-C -0.33 -0.17 -0.03 -11.68 0.51 -8.71
2 G-C -0.20 -0.19 0.16 -1.08 -5.75 3.23
3 G-C 0.01 -0.12 0.05 -9.05 -18.00 2.57
4 G-C -0.04 -0.04 -0.74 -22.89 -17.03 2.67
5 U-A -0.12 0.07 0.25 -17.26 -10.82 6.02
6 A-U 0.04 -0.06 0.23 8.83 -6.34 1.55
7 C-G -0.12 -0.26 0.02 5.91 -10.18 -0.94
8 G-C 0.14 -0.12 -0.05 -3.26 -15.09 3.46
9 A-U -0.17 -0.17 -0.08 4.49 -4.08 7.38
10 G-C -1.32 -0.31 -0.32 0.42 -8.20 2.10
11 G-C 0.03 0.07 -0.21 -14.97 -4.84 6.03
12 U-A 4.70 -2.72 0.77 0.91 14.42 -93.47
13 U+G 0.52 -5.90 0.50 25.12 7.36 -89.11
14 A-U -6.07 -4.60 -0.34 -7.31 22.55 -30.54
15 U-U -3.24 -1.18 0.23 7.93 17.36 -30.25
16 U-A 0.49 0.05 -1.49 17.30 -12.42 -1.48
17 C-G 2.73 0.45 0.39 -1.93 -12.44 29.13
18 C-G 0.03 -0.19 -0.54 6.77 -3.53 -3.45
19 G-C 0.84 0.26 -0.44 -12.65 -6.73 9.70
20 G-C 0.15 -0.05 -0.18 -9.62 -12.13 3.17
21 C-A 2.28 -0.10 -0.25 -4.12 -3.89 -3.27
22 G-C -0.83 -0.22 -0.50 -8.05 -6.16 4.91
23 C-G -0.24 -0.14 -0.02 -5.31 -2.77 3.73
24 C-G 0.30 -0.09 -0.22 2.30 5.12 -2.45
25 A+A -2.58 -0.56 -0.04 20.91 -15.85 169.87
26 A-U -4.18 -2.39 0.98 -0.08 8.16 -92.74
27 G+C 0.14 4.13 -0.37 -7.27 2.46 164.38
28 G-C 0.34 -0.05 -0.03 -18.87 -16.88 -0.79
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. -0.24 -0.52 -0.08 -1.95 -4.11 2.24
s.d. 2.01 1.73 0.47 11.57 10.63 55.82
****************************************************************************
Local base-pair step parameters
step Shift Slide Rise Tilt Roll Twist
1 GG/CC 0.54 -1.65 3.06 -1.53 6.52 34.75
2 GG/CC 0.38 -1.71 3.45 2.93 3.46 34.71
3 GG/CC 0.74 -2.06 3.60 10.36 13.39 28.83
4 GU/AC 0.04 -1.27 3.19 -3.92 6.32 29.90
5 UA/UA 0.48 -1.40 2.71 4.14 3.65 31.35
6 AC/GU -0.45 -1.74 3.32 1.79 0.89 37.66
7 CG/CG -0.42 -1.89 3.49 2.29 6.39 31.68
8 GA/UC 0.23 -1.06 3.09 -1.00 4.06 30.14
9 AG/CU 0.45 -1.73 3.35 2.86 7.58 26.31
10 GG/CC 0.98 -2.03 3.47 3.24 7.67 38.36
11 GU/AC -2.31 -2.40 2.99 -0.93 -2.56 87.14
12 UU/GA 1.62 -1.55 3.33 9.05 4.45 42.60
13 UA/UG ---- ---- ---- ---- ---- ----
14 AU/UU 0.21 -2.25 3.14 -10.95 1.45 51.24
15 UU/AU 1.24 -1.69 3.30 7.87 7.28 42.77
16 UC/GA 2.14 -1.62 3.89 -11.38 1.54 39.86
17 CC/GG -1.85 -1.55 2.47 7.59 13.31 24.81
18 CG/CG 0.32 -2.03 3.62 -1.55 10.91 33.40
19 GG/CC -0.05 -2.29 3.11 3.78 8.65 29.86
20 GC/AC -0.20 -1.42 3.22 4.21 4.10 37.39
21 CG/CA -4.23 -1.47 3.29 4.07 9.73 53.42
22 GC/GC -0.40 -1.57 3.19 -2.16 0.51 38.11
23 CC/GG 0.34 -2.13 3.00 3.76 3.41 29.00
24 CA/AG 4.70 0.91 3.41 -4.41 19.39 -34.01
25 AA/UA -3.12 -0.12 3.07 2.36 -13.05 135.23
26 AG/CU 2.17 -2.55 3.37 4.31 21.46 -73.96
27 GG/CC ---- ---- ---- ---- ---- ----
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. 0.14 -1.61 3.24 1.47 6.02 34.42
s.d. 1.77 0.72 0.29 5.36 6.89 35.66
****************************************************************************
Local base-pair helical parameters
step X-disp Y-disp h-Rise Incl. Tip h-Twist
1 GG/CC -3.57 -1.08 2.69 10.79 2.54 35.37
2 GG/CC -3.39 -0.18 3.29 5.76 -4.89 35.00
3 GG/CC -5.85 0.45 2.53 24.41 -18.88 33.34
4 GU/AC -3.54 -0.79 2.84 12.02 7.46 30.79
5 UA/UA -3.09 -0.26 2.57 6.68 -7.59 31.82
6 AC/GU -2.81 0.93 3.26 1.38 -2.78 37.71
7 CG/CG -4.52 1.15 3.02 11.55 -4.13 32.38
8 GA/UC -2.77 -0.63 2.92 7.75 1.91 30.42
9 AG/CU -5.42 -0.27 2.79 16.18 -6.09 27.51
10 GG/CC -3.96 -1.07 3.09 11.51 -4.86 39.22
11 GU/AC -1.69 1.66 3.07 -1.86 0.68 87.17
12 UU/GA -2.53 -1.27 3.42 6.03 -12.26 43.72
13 UA/UG ---- ---- ---- ---- ---- ----
14 AU/UU -2.64 -0.93 2.98 1.65 12.49 52.34
15 UU/AU -2.94 -0.91 3.16 9.80 -10.59 44.03
16 UC/GA -2.47 -4.35 3.13 2.20 16.29 41.42
17 CC/GG -4.72 4.61 0.94 27.84 -15.89 29.10
18 CG/CG -5.01 -0.77 2.82 18.37 2.62 35.12
19 GG/CC -5.64 0.69 2.35 16.28 -7.11 31.28
20 GC/AC -2.70 0.82 3.01 6.34 -6.51 37.84
21 CG/CA -2.16 4.86 2.70 10.71 -4.47 54.38
22 GC/GC -2.47 0.35 3.19 0.77 3.31 38.17
23 CC/GG -4.84 0.04 2.76 6.75 -7.45 29.43
24 CA/AG -3.82 6.45 3.04 -30.17 -6.85 -39.25
25 AA/UA 0.01 1.70 3.04 -7.05 -1.28 135.54
26 AG/CU 1.36 1.89 3.77 -17.47 3.51 -76.68
27 GG/CC ---- ---- ---- ---- ---- ----
~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
ave. -3.25 0.52 2.89 6.33 -2.83 35.09
s.d. 1.66 2.23 0.51 12.09 8.10 36.47
****************************************************************************
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 48.8 51.2 10.9 9.1 9.8
2 G-C 56.5 56.8 10.4 8.8 9.8
3 G-C 57.0 54.9 10.5 8.9 9.9
4 G-C 56.1 54.7 10.6 8.9 9.8
5 U-A 58.4 56.7 10.4 8.8 9.9
6 A-U 55.5 55.8 10.5 8.9 9.9
7 C-G 52.1 54.8 10.6 8.8 9.8
8 G-C 56.6 54.0 10.6 8.9 9.9
9 A-U 57.7 59.5 10.2 8.6 9.8
10 G-C 48.8 61.7 10.5 8.8 9.8
11 G-C 59.5 56.8 10.5 8.9 10.0
12 U-A 38.3 20.8 9.5 7.1 6.3
13 U+G 111.4 30.9 8.8 8.3 9.7
14 A-U 4.3 80.4 9.3 7.8 7.9
15 U-U 23.8 55.9 10.9 8.8 9.1
16 U-A 56.9 51.8 10.9 9.2 10.0
17 C-G 83.4 53.7 10.1 9.0 10.5
18 C-G 51.8 52.4 10.8 9.0 9.8
19 G-C 65.1 54.3 10.6 9.1 10.2
20 G-C 57.4 54.0 10.6 9.0 10.0
21 C-A 64.1 41.9 11.0 9.3 10.1
22 G-C 52.5 61.3 10.4 8.8 9.8
23 C-G 54.9 58.3 10.5 8.8 9.9
24 C-G 54.3 51.9 10.8 9.1 9.9
25 A+A 30.4 41.7 14.1 11.8 12.3
26 A-U 17.9 35.1 9.6 7.1 6.2
27 G+C 45.2 57.8 10.5 9.0 10.6
28 G-C 57.4 50.5 10.7 9.0 9.9
****************************************************************************
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 GG/CC -1.28 8.21 2.64 -4.69 7.61 4.08 A
2 GG/CC -1.76 8.01 2.71 -4.98 7.71 3.46 A
3 GG/CC -2.27 8.58 1.95 -7.37 7.13 4.97 A
4 GU/AC -1.75 8.51 1.98 -5.29 7.93 3.66 A
5 UA/UA -1.90 8.49 2.05 -4.77 8.21 2.93 A
6 AC/GU -1.85 7.63 3.33 -4.55 7.55 3.50 A
7 CG/CG -2.11 8.55 2.41 -6.46 7.92 4.02 A
8 GA/UC -1.65 8.42 2.18 -4.32 8.06 3.26 A
9 AG/CU -1.96 8.35 2.32 -7.21 7.42 4.45 A
10 GG/CC -2.02 7.85 2.89 -5.71 7.17 4.29 A
11 GU/AC -0.85 6.92 3.44 -2.08 7.00 3.25
12 UU/GA 3.53 4.49 0.36 0.65 4.40 1.47
13 UA/UG --- --- --- --- --- --- ---
14 AU/UU 0.97 6.99 2.84 -1.35 6.91 3.42
15 UU/AU -0.22 8.37 2.28 -3.12 7.92 3.41
16 UC/GA -2.39 7.96 2.43 -4.44 7.87 2.42
17 CC/GG -2.63 7.93 2.56 -7.02 5.87 5.93
18 CG/CG -2.08 8.34 2.67 -6.84 7.14 5.05 A
19 GG/CC -2.07 8.10 2.48 -7.40 7.12 4.58 A
20 GC/AC -1.50 8.63 2.23 -3.93 8.35 3.15 A
21 CG/CA -3.66 7.08 3.61 -5.59 6.40 4.59
22 GC/GC -1.91 7.97 2.58 -4.26 7.94 2.70 A
23 CC/GG -1.65 8.39 2.65 -6.24 8.04 3.54 A
24 CA/AG -2.79 6.69 2.74 -6.40 7.06 -1.30
25 AA/UA 0.15 7.84 4.18 0.18 8.02 3.76
26 AG/CU 2.26 1.85 1.75 3.31 2.26 1.60
27 GG/CC --- --- --- --- --- --- ---
****************************************************************************
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 GG/CC --- --- --- ---
2 GG/CC --- --- --- ---
3 GG/CC 16.4 --- 16.8 ---
4 GU/AC 17.3 15.6 17.2 14.7
5 UA/UA 17.3 15.8 19.6 18.8
6 AC/GU 16.0 14.7 17.9 17.2
7 CG/CG 16.1 14.8 17.8 17.2
8 GA/UC 16.8 15.7 14.9 11.2
9 AG/CU 16.7 15.4 15.9 12.6
10 GG/CC 16.0 --- 15.1 ---
11 GU/AC --- --- --- ---
12 UU/GA --- --- --- ---
13 UA/UG --- --- --- ---
14 AU/UU --- --- --- ---
15 UU/AU --- --- --- ---
16 UC/GA 16.5 --- 15.6 ---
17 CC/GG 16.6 14.7 16.6 11.2
18 CG/CG 16.5 15.2 16.8 9.6
19 GG/CC 17.7 14.4 17.1 13.5
20 GC/AC 17.9 13.5 15.8 13.3
21 CG/CA 16.8 14.2 13.3 12.2
22 GC/GC 16.8 15.0 11.2 10.0
23 CC/GG 16.8 15.4 11.0 3.6
24 CA/AG 16.5 --- 8.9 ---
25 AA/UA --- --- --- ---
26 AG/CU --- --- --- ---
27 GG/CC --- --- --- ---
****************************************************************************
Global linear helical axis defined by equivalent C1' and RN9/YN1 atom pairs
Deviation from regular linear helix: 0.27(3.50)
****************************************************************************
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 --- --- -176.7 86.5 -135.0 -75.5 176.3
2 G -80.2 177.0 60.7 82.4 -159.9 -71.4 -167.4
3 G -47.6 172.5 47.1 82.9 -157.8 -61.2 -162.7
4 G 163.0 177.5 174.7 83.7 -143.5 -72.1 -171.5
5 U -59.2 179.0 48.6 82.3 -175.7 -62.0 -158.1
6 A -172.2 -178.4 172.6 145.4 --- --- -143.3
7 C --- 171.9 49.0 86.8 -147.8 -70.9 -169.6
8 G -60.2 -179.7 46.1 81.7 -158.2 -68.3 -156.6
9 A -63.9 -178.5 46.4 83.4 -169.2 -77.6 -150.6
10 G 158.1 -165.5 167.8 82.7 -135.7 -69.0 -176.0
11 G -53.8 174.4 50.0 81.6 -157.8 -66.7 -170.0
12 U -61.8 -175.8 51.6 84.5 -144.5 -66.7 -159.3
13 U -72.5 178.4 51.4 85.5 --- --- -148.9
14 A --- -164.8 48.3 83.3 -148.3 -57.1 -173.6
15 U -62.6 -179.0 52.5 83.7 -140.3 -65.6 -174.8
16 U -60.7 168.5 52.5 86.6 -153.0 -57.4 -155.8
17 C -62.1 171.2 55.1 86.8 -110.9 -147.9 -175.0
18 C 116.1 -118.6 167.3 83.8 -137.2 -72.2 -174.8
19 G -62.4 172.1 44.6 79.5 -148.6 -76.9 -175.6
20 G -54.8 179.5 51.9 82.4 -157.3 -62.5 -156.4
21 C -64.7 -178.5 48.7 83.5 --- --- -143.8
22 G --- 177.5 55.3 89.4 -149.1 -70.1 179.9
23 C -68.8 -172.2 48.7 84.5 -160.2 -68.1 -158.6
24 C 149.6 -173.8 179.0 84.8 -136.7 -59.2 -171.1
25 A -52.3 172.5 49.6 82.9 179.8 -79.0 -155.8
26 A 172.2 -178.1 171.9 88.4 -125.5 -52.4 -174.9
27 G -45.7 169.2 46.0 146.2 --- --- -114.2
28 G --- 159.6 58.3 145.9 --- --- -94.0

Strand II
base alpha beta gamma delta epsilon zeta chi
1 C -61.2 177.3 50.1 84.3 --- --- -151.8
2 C -70.3 -176.9 51.7 84.2 -151.7 -77.8 -161.7
3 C -69.2 -179.2 51.8 83.0 -153.5 -75.4 -164.0
4 C -60.7 165.7 56.1 84.1 -159.0 -71.7 -149.0
5 A -60.8 178.4 48.3 84.9 -151.4 -75.2 -150.3
6 U -56.5 167.5 50.2 82.9 -153.1 -80.2 -169.0
7 G 150.7 -162.9 175.3 84.0 -136.3 -78.3 177.8
8 C -48.3 159.5 51.8 84.5 -165.1 -70.1 -155.8
9 U -64.2 -178.5 45.7 83.0 -154.1 -83.7 -159.4
10 C -62.5 -178.1 48.4 85.9 -151.6 -76.6 -166.3
11 C --- -175.3 42.9 81.5 -152.2 -75.0 -171.7
12 A --- -130.5 58.6 149.4 --- --- -76.8
13 G --- -145.1 -53.6 145.9 --- --- -104.0
14 U -63.7 172.2 48.4 83.2 --- --- -156.2
15 U 158.2 -155.3 172.9 84.7 -123.6 -70.2 174.2
16 A -58.3 -169.9 45.8 81.8 -158.3 -82.8 -156.5
17 G -66.9 166.0 50.1 82.1 -164.0 -72.3 -172.9
18 G 164.1 -169.6 167.5 85.2 -124.8 -82.7 176.6
19 C -69.0 -166.8 46.1 82.9 -165.3 -73.1 -155.5
20 C -57.1 169.9 50.3 81.3 -154.5 -69.0 -166.7
21 A -61.6 176.0 51.7 80.3 -150.7 -71.1 -166.5
22 C -59.3 167.9 50.1 81.4 -137.7 -60.7 -163.4
23 G -59.8 175.2 53.2 83.1 -146.1 -77.1 -170.4
24 G --- 161.8 50.5 81.9 -151.6 -75.8 -176.4
25 A --- -160.0 62.0 86.6 --- --- -102.8
26 U --- -152.4 53.6 80.7 --- --- -160.0
27 C --- 142.1 36.4 141.0 --- --- -151.3
28 C --- 150.6 49.7 83.7 --- --- -170.3
****************************************************************************
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 G 4.2 -24.7 34.8 -33.4 18.3 35.6 12.0 C3'-endo
2 G 2.2 -25.4 37.6 -37.3 22.1 39.0 15.3 C3'-endo
3 G 1.3 -23.9 36.4 -36.7 22.2 38.0 16.7 C3'-endo
4 G 5.3 -26.3 36.3 -34.4 18.3 36.9 10.7 C3'-endo
5 U 1.0 -23.8 36.1 -36.5 22.5 37.8 17.1 C3'-endo
6 A -19.2 32.4 -32.4 22.3 -2.3 33.5 164.8 C2'-endo
7 C 3.5 -24.0 34.1 -33.2 18.8 35.1 13.2 C3'-endo
8 G 1.1 -22.9 34.9 -35.3 21.6 36.5 17.1 C3'-endo
9 A 1.5 -23.1 34.8 -35.0 21.1 36.3 16.4 C3'-endo
10 G 6.3 -27.0 36.5 -34.0 17.3 37.0 9.1 C3'-endo
11 G 0.5 -23.2 35.7 -36.4 22.6 37.5 17.8 C3'-endo
12 U 1.7 -22.6 33.9 -34.0 20.3 35.3 16.0 C3'-endo
13 U 1.6 -23.0 34.3 -34.4 20.7 35.7 16.2 C3'-endo
14 A 3.4 -25.4 36.5 -35.6 20.3 37.6 13.5 C3'-endo
15 U 2.5 -24.4 35.7 -35.4 20.8 37.0 14.9 C3'-endo
16 U 4.0 -24.9 35.1 -33.8 18.7 35.9 12.4 C3'-endo
17 C 4.4 -24.3 33.9 -32.4 17.7 34.6 11.6 C3'-endo
18 C 1.6 -22.3 33.5 -33.6 20.1 34.9 16.1 C3'-endo
19 G 1.2 -23.7 35.9 -36.4 22.2 37.6 17.0 C3'-endo
20 G -1.1 -21.4 34.5 -36.2 23.5 36.8 20.4 C3'-endo
21 C -2.9 -19.5 33.0 -35.8 24.4 35.9 23.2 C3'-endo
22 G 3.3 -23.4 33.5 -32.7 18.5 34.5 13.4 C3'-endo
23 C 2.4 -23.9 35.2 -34.9 20.5 36.4 15.1 C3'-endo
24 C 5.5 -26.8 36.8 -34.7 18.4 37.4 10.4 C3'-endo
25 A -0.3 -21.9 34.4 -35.6 22.6 36.4 19.1 C3'-endo
26 A 3.0 -23.0 33.0 -32.6 18.7 34.0 14.0 C3'-endo
27 G -29.3 41.6 -36.8 21.2 4.9 40.9 154.3 C2'-endo
28 G -17.3 31.2 -32.6 23.6 -4.2 33.3 168.3 C2'-endo

Strand II
base v0 v1 v2 v3 v4 tm P Puckering
1 C 1.2 -23.0 34.8 -35.2 21.5 36.3 16.9 C3'-endo
2 C 1.5 -23.9 36.0 -36.2 21.9 37.5 16.4 C3'-endo
3 C -0.9 -22.3 35.7 -37.2 23.9 37.9 19.9 C3'-endo
4 C 0.4 -22.9 35.3 -36.1 22.5 37.1 18.1 C3'-endo
5 A 4.6 -25.9 36.2 -34.6 18.9 36.9 11.7 C3'-endo
6 U 1.0 -23.3 35.7 -36.1 22.0 37.3 17.2 C3'-endo
7 G 2.8 -24.1 35.1 -34.5 20.0 36.2 14.3 C3'-endo
8 C 1.0 -22.1 33.6 -34.2 20.9 35.2 17.2 C3'-endo
9 U 2.5 -24.0 35.2 -34.9 20.5 36.4 14.9 C3'-endo
10 C 1.6 -22.0 32.9 -33.0 19.8 34.2 16.1 C3'-endo
11 C 0.8 -22.9 35.2 -35.9 22.1 37.0 17.6 C3'-endo
12 A -20.0 34.4 -34.9 24.4 -3.0 36.0 165.9 C2'-endo
13 G -21.0 34.1 -33.4 22.3 -1.0 34.9 162.8 C2'-endo
14 U 1.6 -23.6 35.3 -35.4 21.3 36.7 16.2 C3'-endo
15 U 5.0 -25.5 35.4 -33.6 18.1 36.1 11.0 C3'-endo
16 A 2.5 -24.5 36.0 -35.7 20.8 37.3 14.9 C3'-endo
17 G 2.3 -24.5 36.2 -35.9 21.2 37.5 15.2 C3'-endo
18 G 4.7 -24.8 34.4 -32.9 17.8 35.1 11.3 C3'-endo
19 C 1.4 -22.9 34.3 -34.7 21.0 35.8 16.5 C3'-endo
20 C 2.2 -24.8 36.8 -36.6 21.7 38.2 15.4 C3'-endo
21 A -0.2 -22.5 35.4 -36.6 23.3 37.4 19.0 C3'-endo
22 C 2.4 -25.4 37.6 -37.2 21.9 38.9 15.1 C3'-endo
23 G 2.4 -24.8 36.4 -36.2 21.3 37.7 15.1 C3'-endo
24 G 2.7 -24.6 36.0 -35.5 20.7 37.2 14.6 C3'-endo
25 A -8.5 -12.5 27.3 -33.2 26.3 32.8 33.4 C3'-endo
26 U -0.6 -22.7 36.1 -37.3 23.9 38.3 19.4 C3'-endo
27 C -24.2 36.2 -33.6 20.5 2.2 36.2 157.9 C2'-endo
28 C 1.7 -23.2 34.8 -34.8 20.9 36.2 16.1 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/G --- 6.0 1 C/C 5.6 5.7
2 G/G 6.1 5.2 2 C/C 5.7 5.8
3 G/G 5.7 5.6 3 C/C 6.2 5.5
4 G/U 6.7 5.7 4 C/A 5.6 5.1
5 U/A 6.1 5.7 5 A/U 5.8 5.7
6 A/C 8.9 6.0 6 U/G 6.6 5.6
7 C/G 5.7 5.8 7 G/C 6.2 5.2
8 G/A 5.7 5.4 8 C/U 5.5 5.1
9 A/G 5.9 5.3 9 U/C 5.6 5.8
10 G/G 6.6 5.6 10 C/C 5.4 5.8
11 G/U 5.9 5.6 11 C/A 13.6 7.8
12 U/U 5.5 5.5 12 A/G 14.5 6.8
13 U/A --- --- 13 G/U --- ---
14 A/U 5.3 5.4 14 U/U 6.4 5.8
15 U/U 5.5 5.2 15 U/A 5.4 5.5
16 U/C 5.9 4.9 16 A/G 6.1 5.9
17 C/C 5.3 6.0 17 G/G 6.4 5.8
18 C/G 6.7 5.6 18 G/C 5.6 5.5
19 G/G 5.6 5.9 19 C/C 5.9 6.1
20 G/C 5.9 5.4 20 C/A 5.8 5.2
21 C/G 15.5 11.9 21 A/C 5.5 5.5
22 G/C 5.7 6.0 22 C/G 5.7 5.3
23 C/C 5.6 5.4 23 G/G 5.9 5.6
24 C/A 6.6 5.4 24 G/A 11.3 14.5
25 A/A 6.3 5.8 25 A/U 17.4 8.9
26 A/G 6.4 5.4 26 U/C 11.5 4.4
27 G/G --- --- 27 C/C --- ---
****************************************************************************
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 GG/CC 8.1 7.9 7.4 9.8 9.4 8.6
2 GG/CC 9.1 8.5 7.9 9.3 8.8 8.0
3 GG/CC 12.3 10.6 10.1 8.2 9.3 8.9
4 GU/AC 9.1 8.4 7.7 10.0 9.3 8.6
5 UA/UA 10.0 8.2 7.6 9.0 8.6 7.8
6 AC/GU 9.3 9.0 8.2 8.3 7.5 6.8
7 CG/CG 10.9 10.2 9.5 9.6 8.5 8.1
8 GA/UC 8.7 7.8 7.1 9.6 8.8 8.0
9 AG/CU 10.8 10.2 9.8 9.9 9.9 9.3
10 GG/CC 8.9 8.6 8.1 9.5 9.6 8.8
11 GU/AC 10.1 8.3 7.3 7.4 5.1 4.4
12 UU/GA 4.8 3.3 2.2 6.6 7.9 7.4
13 UA/UG ---- ---- ---- ---- ---- ----
14 AU/UU 6.5 7.1 6.8 8.0 6.5 5.5
15 UU/AU 7.6 7.4 6.9 9.8 8.4 7.6
16 UC/GA 4.6 5.0 4.8 13.6 12.3 11.3
17 CC/GG 13.3 12.7 11.9 6.5 7.8 8.1
18 CG/CG 8.9 9.0 8.6 10.9 10.4 9.8
19 GG/CC 11.2 10.7 10.1 9.4 10.0 9.6
20 GC/AC 10.5 8.5 7.7 8.0 7.9 7.3
21 CG/CA 12.8 12.2 11.1 4.3 4.9 5.0
22 GC/GC 9.6 8.5 7.8 8.5 7.7 6.9
23 CC/GG 11.2 9.6 9.1 9.2 9.5 9.0
24 CA/AG 15.9 12.7 11.9 3.2 7.4 7.9
25 AA/UA 9.3 7.3 6.4 9.8 7.1 6.4
26 AG/CU 9.5 6.2 5.5 11.3 7.7 6.5
27 GG/CC ---- ---- ---- ---- ---- ----
****************************************************************************
Position (Px, Py, Pz) and local helical axis vector (Hx, Hy, Hz)
for each dinucleotide step

bp Px Py Pz Hx Hy Hz
1 GG/CC 41.10 39.26 36.55 -0.97 0.17 -0.19
2 GG/CC 38.52 38.73 35.79 -0.99 0.05 -0.09
3 GG/CC 36.76 39.24 38.24 -0.91 0.42 0.04
4 GU/AC 31.92 39.02 35.93 -0.99 -0.05 -0.08
5 UA/UA 30.02 38.60 36.26 -0.98 0.18 0.05
6 AC/GU 27.11 39.27 37.83 -0.98 0.14 0.17
7 CG/CG 23.84 40.59 36.88 -1.00 0.00 0.06
8 GA/UC 20.67 38.98 39.01 -0.98 0.07 0.16
9 AG/CU 18.18 37.83 36.93 -0.98 -0.13 0.12
10 GG/CC 15.17 38.36 38.65 -1.00 -0.07 0.06
11 GU/AC 12.03 40.13 35.48 -0.98 -0.00 -0.18
12 UU/GA 9.46 43.31 35.91 -0.99 0.15 0.03
13 UA/UG ---- ---- ---- ---- ---- ----
14 AU/UU 17.30 -5.42 21.85 -0.35 0.93 -0.08
15 UU/AU 16.88 -3.75 22.33 -0.18 0.93 0.31
16 UC/GA 16.79 1.75 20.64 -0.58 0.81 0.07
17 CC/GG 17.74 3.21 29.50 -0.02 0.95 -0.32
18 CG/CG 15.54 5.09 24.38 -0.25 0.97 -0.05
19 GG/CC 16.63 7.03 24.39 -0.13 0.98 -0.17
20 GC/AC 16.52 10.05 26.88 0.04 0.99 -0.15
21 CG/CA 20.21 12.88 24.64 0.00 1.00 -0.08
22 GC/GC 20.13 16.38 28.57 0.14 0.96 -0.25
23 CC/GG 18.71 19.05 29.86 0.05 1.00 -0.05
24 CA/AG 13.52 17.98 26.92 -0.51 0.82 -0.27
25 AA/UA 16.88 24.81 27.94 -0.24 0.97 0.00
26 AG/CU 14.68 27.26 28.15 -0.35 0.92 0.16
27 GG/CC ---- ---- ---- ---- ---- ----