Main chain and chi torsion angles: Для А-формы ДНК (последовательность gatc, файл gatc-a.pdb) 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 *************************************************************** Для B-формы ДНК (последовательность gatc, файл gatc-b.pdb) 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 *************************************************************** Для фрагмента ДНК из файла dna34.pdb 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 --- --- 160.9 113.2 -153.7 -96.6 -127.1 2 G -55.8 178.3 31.1 146.0 -152.9 -141.1 -86.2 3 C -51.6 144.5 50.1 88.9 -172.6 -94.8 -123.6 4 G -75.1 165.2 73.2 144.9 -176.4 -117.9 -107.6 5 A -59.3 174.7 52.3 149.5 -171.4 -111.5 -101.4 6 A -49.2 178.2 34.9 129.0 174.2 -93.0 -103.9 7 T -49.7 169.3 44.9 99.1 152.8 -65.4 -115.2 8 T -100.8 -165.9 75.1 138.7 -146.1 -152.5 -112.4 9 a -5.0 156.9 -8.5 121.8 -172.1 -86.6 71.3 10 G -57.9 163.7 41.4 140.0 -119.3 159.7 -98.3 11 C -42.8 130.7 33.2 116.8 -175.8 -94.4 -121.5 12 G -58.0 179.6 53.3 114.6 --- --- -117.6 Strand II base alpha beta gamma delta epsilon zeta chi 1 G -50.0 155.9 38.0 89.4 --- --- -116.0 2 C -72.7 145.5 36.6 124.3 -156.4 -106.4 -111.7 3 G -68.5 167.5 55.2 141.9 -91.8 166.3 -100.4 4 a -44.1 -177.4 25.9 127.4 -173.1 -92.7 68.9 5 T -18.8 149.3 36.9 119.8 -174.4 -100.7 -117.3 6 T -40.2 157.7 48.8 117.0 -168.0 -125.9 -121.3 7 A -31.4 171.5 25.1 137.6 -174.8 -106.5 -97.6 8 A -20.2 151.7 9.1 151.3 -171.0 -117.7 -106.7 9 G -56.3 149.8 65.1 164.3 -142.5 -174.5 -93.7 10 C -49.2 151.4 52.3 98.0 -149.6 -118.1 -132.6 11 G -51.3 128.9 35.8 121.3 -159.6 -110.1 -125.2 12 C --- --- 76.9 134.0 -100.2 164.4 -119.0 ***************************************************************