С помощью программы find_pair
и analyze провела анализ структур ДНК.
Значения конформационно важных торсионых углов: α, β,
γ, δ, ε, ζ, χ:
Из файла gta_b.out
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 --- 174.8 41.7 79.0 -147.8 -75.1 -157.2
2 A -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
3 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
4 C -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
5 G -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
6 A -51.7 174.8 41.7 79.0 -147.8 -75.1 -157.2
7 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
8 C -51.7 174.8 41.7 79.0 -147.8 -75.0 -157.2
9 G -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
10 A -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
11 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
12 C -51.7 174.8 41.7 79.1 -147.7 -75.1 -157.2
13 G -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
14 A -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
15 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
16 C -51.7 174.8 41.7 79.1 --- --- -157.2
Strand II
base alpha beta gamma delta epsilon zeta chi
1 C -51.7 174.8 41.7 79.0 --- --- -157.2
2 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
3 A -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
4 G -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
5 C -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
6 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
7 A -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
8 G -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
9 C -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
10 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
11 A -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
12 G -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
13 C -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
14 T -51.7 174.8 41.7 79.1 -147.8 -75.1 -157.2
15 A -51.7 174.8 41.7 79.0 -147.8 -75.1 -157.2
16 G --- 174.8 41.7 79.1 -147.7 -75.1 -157.2
Из файла gta_b.out
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 --- 136.4 31.1 143.4 -140.8 -160.5 -98.0
2 A -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
3 T -29.9 136.3 31.1 143.3 -140.8 -160.5 -97.9
4 C -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
5 G -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
6 A -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
7 T -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
8 C -29.9 136.3 31.1 143.3 -140.8 -160.5 -97.9
9 G -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
10 A -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
11 T -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
12 C -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
13 G -29.9 136.3 31.1 143.3 -140.8 -160.5 -98.0
14 A -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
15 T -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
16 C -29.9 136.4 31.1 143.4 --- --- -98.0
Strand II
base alpha beta gamma delta epsilon zeta chi
1 C -29.9 136.4 31.1 143.4 --- --- -98.0
2 T -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
3 A -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
4 G -29.9 136.3 31.1 143.3 -140.8 -160.5 -98.0
5 C -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
6 T -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
7 A -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
8 G -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
9 C -29.9 136.3 31.1 143.3 -140.8 -160.5 -97.9
10 T -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
11 A -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
12 G -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
13 C -29.9 136.4 31.1 143.4 -140.8 -160.5 -98.0
14 T -29.9 136.3 31.1 143.3 -140.8 -160.5 -97.9
15 A -29.9 136.3 31.2 143.3 -140.8 -160.5 -98.0
16 G --- 136.4 31.1 143.4 -140.8 -160.5 -98.0
Из файла dna23.out
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 C --- --- 62.1 82.1 -155.9 -66.2 -161.2
2 U -70.4 -166.0 42.4 82.9 -155.6 -67.6 -153.3
3 U -67.8 178.9 47.4 81.0 -160.4 -63.3 -154.5
4 G -64.1 -173.2 49.6 79.9 -166.4 -63.9 -156.0
5 C -74.3 179.8 54.3 82.9 -156.8 -68.7 -159.1
6 U -73.8 -176.5 50.0 79.3 -159.6 -60.9 -163.0
7 G -70.9 -167.3 48.0 78.2 --- --- -145.6
8 G --- -150.8 48.9 79.9 -158.2 -64.4 -168.8
9 G -77.2 -164.6 54.1 82.1 -141.0 -72.7 -176.3
10 U -68.9 177.9 49.1 80.7 -166.1 -64.5 -159.0
11 G -77.7 177.8 55.3 80.7 -153.2 -77.6 -164.0
12 C -54.4 170.5 51.3 80.8 -168.8 -60.3 -151.3
13 A -77.0 -173.8 50.3 80.8 -153.8 -74.5 -162.6
14 C -56.7 169.7 51.2 77.7 -165.2 -61.3 -161.3
15 A -72.4 -174.7 53.8 83.2 -150.7 -66.1 -166.5
16 C -57.9 170.1 53.6 81.2 -155.6 -65.3 -155.8
17 A -70.0 -174.3 44.5 81.1 -162.7 -70.2 -147.9
18 G -61.6 173.6 51.9 77.8 -153.5 -67.8 -158.8
19 C -63.9 170.4 52.3 79.5 -154.6 -67.5 -150.5
20 A -66.8 -174.3 49.6 82.9 -166.6 -68.8 -148.9
21 A -78.0 -172.3 52.1 83.2 -166.1 -56.5 -150.3
22 G -77.7 -171.9 49.3 73.6 --- --- -143.6
Strand II
base alpha beta gamma delta epsilon zeta chi
1 G -59.5 172.3 56.8 75.2 --- --- -165.4
2 A -71.1 177.3 50.2 80.9 -160.1 -69.4 -161.4
3 A -58.6 171.4 51.6 82.2 -139.7 -75.8 -168.1
4 C -62.4 159.0 56.7 78.7 -153.9 -74.3 -147.5
5 G -73.6 172.8 53.4 82.9 -141.0 -81.5 -162.7
6 A -63.1 178.9 51.1 81.8 -152.9 -71.2 -156.2
7 C -68.9 179.7 51.6 83.8 -159.7 -73.7 -158.5
8 A -65.8 176.8 48.1 82.9 -160.6 -61.1 -158.6
9 C -50.7 160.4 54.1 80.8 -150.8 -77.4 -161.1
10 A -57.8 163.2 46.1 78.9 -147.8 -78.2 -162.9
11 C -62.8 173.8 53.7 80.2 -149.9 -79.5 -161.7
12 G -58.8 169.8 55.8 79.1 -158.9 -68.6 -162.4
13 U -61.9 178.5 47.6 81.1 -144.8 -71.2 -162.3
14 G --- -155.0 45.5 81.5 -156.1 -72.9 -166.6
15 G --- -161.3 59.0 86.1 --- --- -176.9
16 G -80.7 -164.5 50.6 80.1 --- --- -147.9
17 U -62.2 172.1 52.2 81.1 -156.9 -65.6 -165.9
18 C -62.0 176.1 46.5 79.0 -153.9 -71.3 -160.6
19 G -68.8 177.9 57.1 83.3 -159.1 -70.5 -160.3
20 U -63.3 165.0 52.2 77.9 -157.5 -71.5 -160.2
21 U -72.9 -173.4 49.7 82.8 -150.2 -69.6 -163.8
22 C --- --- -54.2 85.0 -144.0 -73.2 -179.5
Для обеих цепей А-формы и В-формы, торсионные
углы совпадают. Как видно из данных значения соответствующих
торсионных углов у ДНК dna23 ближе к соответствующим
углам в А-форме.