TAT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | N1 | doub | 1.32Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| O3' | C3' | sing | 1.43Å | 1.43Å | |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| C1' | N9 | sing | 1.47Å | 1.47Å | |
| C1' | C2' | sing | 1.55Å | 1.51Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| N9 | C8 | sing | 1.36Å | 1.38Å | Aromatic |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| N7 | C8 | doub | 1.30Å | 1.31Å | Aromatic |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.47Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| O2A | PA | doub | 1.48Å | 1.48Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| O5' | PA | sing | 1.61Å | 1.60Å | |
| PA | O3A | sing | 1.61Å | 1.49Å | |
| PA | S1G | sing | 2.12Å | 1.86Å | |
| O3A | PB | sing | 1.61Å | 1.50Å | |
| O1B | PB | doub | 1.48Å | 1.48Å | |
| PB | O3B | sing | 1.61Å | 1.49Å | |
| PB | O2B | sing | 1.61Å | 1.49Å | |
| O3B | PG | sing | 1.61Å | 1.50Å | |
| O2G | PG | doub | 1.48Å | 1.49Å | |
| O1A | PG | sing | 1.61Å | 1.49Å | |
| PG | O3G | sing | 1.61Å | 1.48Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| N6 | H2 | sing | 0.97Å | 1.00Å | |
| N6 | H3 | sing | 0.97Å | 1.00Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| O1A | H6 | sing | 0.97Å | 0.95Å | |
| S1G | H7 | sing | 1.35Å | 1.30Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| O2' | H9 | sing | 0.97Å | 0.95Å | |
| O2B | H10 | sing | 0.97Å | 0.95Å | |
| C3' | H11 | sing | 1.09Å | 1.10Å | |
| O3' | H12 | sing | 0.97Å | 0.95Å | |
| O3G | H13 | sing | 0.97Å | 0.95Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C2 | N3 | 129.3° | 122.5° |
| C2 | N1 | C6 | 118.5° | 121.2° |
| N1 | C2 | H1 | 115.4° | 118.8° |
| C2 | N3 | C4 | 111.1° | 120.7° |
| N3 | C2 | H1 | 115.4° | 118.7° |
| N1 | C6 | N6 | 118.7° | 120.8° |
| N1 | C6 | C5 | 118.1° | 118.4° |
| N3 | C4 | C5 | 126.1° | 119.1° |
| N3 | C4 | N9 | 128.2° | 135.0° |
| O2' | C2' | C1' | 108.3° | 110.9° |
| O2' | C2' | C3' | 114.7° | 110.9° |
| O2' | C2' | H8 | 112.2° | 110.8° |
| C2' | O2' | H9 | 109.5° | 114.0° |
| O3' | C3' | C2' | 112.2° | 110.5° |
| O3' | C3' | C4' | 106.2° | 110.5° |
| O3' | C3' | H11 | 112.7° | 110.5° |
| C3' | O3' | H12 | 109.5° | 114.0° |
| N6 | C6 | C5 | 123.3° | 120.8° |
| C6 | N6 | H2 | 109.5° | 120.1° |
| C6 | N6 | H3 | 109.4° | 120.0° |
| C6 | C5 | C4 | 117.0° | 118.2° |
| C6 | C5 | N7 | 132.1° | 134.7° |
| C5 | C4 | N9 | 105.7° | 105.9° |
| C4 | C5 | N7 | 111.0° | 107.2° |
| C4 | N9 | C1' | 127.3° | 126.2° |
| C4 | N9 | C8 | 105.4° | 107.5° |
| C5 | N7 | C8 | 104.0° | 109.4° |
| N9 | C1' | C2' | 117.1° | 110.6° |
| N9 | C1' | O4' | 111.8° | 110.6° |
| C1' | N9 | C8 | 127.2° | 126.3° |
| N9 | C1' | H5 | 107.9° | 110.6° |
| C2' | C1' | O4' | 103.7° | 103.5° |
| C1' | C2' | C3' | 99.9° | 102.1° |
| C2' | C1' | H5 | 107.5° | 110.6° |
| C1' | C2' | H8 | 110.7° | 110.9° |
| C1' | O4' | C4' | 109.0° | 107.0° |
| O4' | C1' | H5 | 108.6° | 110.7° |
| N9 | C8 | N7 | 113.8° | 110.0° |
| N9 | C8 | H4 | 123.1° | 125.0° |
| C2' | C3' | C4' | 102.7° | 104.2° |
| C3' | C2' | H8 | 110.4° | 110.9° |
| C2' | C3' | H11 | 111.1° | 110.5° |
| N7 | C8 | H4 | 123.1° | 125.0° |
| C3' | C4' | O4' | 104.8° | 107.3° |
| C3' | C4' | C5' | 117.5° | 109.9° |
| C4' | C3' | H11 | 111.3° | 110.5° |
| C3' | C4' | H14 | 107.1° | 109.9° |
| O4' | C4' | C5' | 112.3° | 109.9° |
| O4' | C4' | H14 | 107.7° | 110.0° |
| C4' | C5' | O5' | 110.8° | 109.5° |
| C5' | C4' | H14 | 107.0° | 109.9° |
| C4' | C5' | H15 | 109.1° | 109.4° |
| C4' | C5' | H16 | 109.1° | 109.5° |
| O2A | PA | O5' | 109.5° | 109.5° |
| O2A | PA | O3A | 108.6° | 109.5° |
| O2A | PA | S1G | 123.2° | 109.5° |
| C5' | O5' | PA | 124.7° | 123.0° |
| O5' | C5' | H15 | 109.1° | 109.5° |
| O5' | C5' | H16 | 109.1° | 109.5° |
| O5' | PA | O3A | 108.2° | 109.4° |
| O5' | PA | S1G | 85.0° | 109.5° |
| O3A | PA | S1G | 118.5° | 109.5° |
| PA | O3A | PB | 135.7° | 134.0° |
| PA | S1G | H7 | 102.0° | 103.0° |
| O3A | PB | O1B | 107.3° | 109.5° |
| O3A | PB | O3B | 107.4° | 109.4° |
| O3A | PB | O2B | 107.6° | 109.4° |
| O1B | PB | O3B | 107.9° | 109.5° |
| O1B | PB | O2B | 118.8° | 109.5° |
| O3B | PB | O2B | 107.4° | 109.5° |
| PB | O3B | PG | 127.5° | 134.0° |
| PB | O2B | H10 | 109.5° | 114.0° |
| O3B | PG | O2G | 106.1° | 109.5° |
| O3B | PG | O1A | 107.9° | 109.5° |
| O3B | PG | O3G | 107.9° | 109.5° |
| O2G | PG | O1A | 108.5° | 109.5° |
| O2G | PG | O3G | 106.8° | 109.5° |
| O1A | PG | O3G | 118.9° | 109.5° |
| PG | O1A | H6 | 109.5° | 114.1° |
| PG | O3G | H13 | 109.5° | 114.0° |
| H2 | N6 | H3 | 109.5° | 119.9° |
| H15 | C5' | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C2 | N3 | H1 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.5° | 0.1° |
| C2 | N1 | C6 | N6 | 178.3° | 180.0° |
| C2 | N1 | C6 | C5 | 1.1° | 0.0° |
| N3 | C2 | N1 | C6 | 0.2° | 0.1° |
| C2 | N3 | C4 | C5 | 0.3° | 0.1° |
| C2 | N3 | C4 | N9 | 177.8° | 180.0° |
| N1 | C6 | N6 | C5 | 179.4° | 180.0° |
| N1 | C6 | C5 | C4 | 1.3° | 0.0° |
| N1 | C6 | C5 | N7 | 179.3° | 180.0° |
| C6 | N1 | C2 | H1 | 179.8° | 180.0° |
| N1 | C6 | N6 | H2 | 0.0° | 0.0° |
| N1 | C6 | N6 | H3 | 120.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.6° | 0.0° |
| N3 | C4 | C5 | N9 | 178.0° | 179.9° |
| N3 | C4 | C5 | N7 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 4.6° | 0.1° |
| N3 | C4 | N9 | C8 | 179.2° | 180.0° |
| C4 | N3 | C2 | H1 | 179.5° | 180.0° |
| O2' | C2' | C3' | O3' | 41.8° | 20.4° |
| O2' | C2' | C1' | N9 | 72.7° | 86.4° |
| O2' | C2' | C1' | C3' | 120.3° | 118.2° |
| O2' | C2' | C1' | H8 | 123.3° | 123.6° |
| O2' | C2' | C1' | O4' | 163.7° | 155.2° |
| O2' | C2' | C3' | H8 | 127.9° | 123.6° |
| O2' | C2' | C3' | C4' | 155.5° | 139.1° |
| O2' | C2' | C1' | H5 | 48.8° | 36.6° |
| O2' | C2' | C3' | H11 | 85.4° | 102.2° |
| O3' | C3' | C2' | C1' | 73.7° | 97.8° |
| O3' | C3' | C2' | C4' | 113.6° | 118.7° |
| O3' | C3' | C2' | H11 | 127.2° | 122.6° |
| O3' | C3' | C4' | H11 | 123.0° | 122.6° |
| O3' | C3' | C4' | O4' | 95.1° | 120.7° |
| O3' | C3' | C4' | C5' | 139.4° | 119.8° |
| O3' | C3' | C2' | H8 | 169.8° | 144.0° |
| O3' | C3' | C4' | H14 | 19.1° | 1.2° |
| N6 | C6 | C5 | C4 | 178.1° | 180.0° |
| N6 | C6 | C5 | N7 | 1.3° | 0.0° |
| C6 | N6 | H2 | H3 | 120.0° | 180.0° |
| C6 | C5 | C4 | N7 | 179.5° | 180.0° |
| C6 | C5 | C4 | N9 | 177.3° | 180.0° |
| C6 | C5 | N7 | C8 | 178.9° | 180.0° |
| C5 | C6 | N6 | H2 | 179.5° | 180.0° |
| C5 | C6 | N6 | H3 | 59.5° | 0.0° |
| C5 | C4 | N9 | C1' | 173.3° | 180.0° |
| C5 | C4 | N9 | C8 | 2.9° | 0.1° |
| C4 | C5 | N7 | C8 | 0.5° | 0.0° |
| N9 | C4 | C5 | N7 | 2.2° | 0.0° |
| C4 | N9 | C1' | C8 | 175.4° | 180.0° |
| C4 | N9 | C1' | C2' | 38.1° | 85.0° |
| C4 | N9 | C1' | O4' | 157.5° | 161.0° |
| C4 | N9 | C8 | N7 | 2.9° | 0.0° |
| C4 | N9 | C8 | H4 | 177.1° | 180.0° |
| C4 | N9 | C1' | H5 | 83.2° | 37.9° |
| C5 | N7 | C8 | N9 | 1.5° | 0.0° |
| C5 | N7 | C8 | H4 | 178.5° | 180.0° |
| N9 | C1' | C2' | O4' | 123.6° | 118.4° |
| N9 | C1' | C2' | H5 | 121.5° | 122.9° |
| N9 | C1' | O4' | H5 | 118.9° | 123.0° |
| N9 | C1' | C2' | C3' | 167.0° | 155.5° |
| C1' | N9 | C8 | N7 | 173.3° | 180.0° |
| N9 | C1' | O4' | C4' | 157.5° | 158.5° |
| C1' | N9 | C8 | H4 | 6.7° | 0.0° |
| N9 | C1' | C2' | H8 | 50.6° | 37.3° |
| C2' | C1' | O4' | H5 | 114.1° | 118.6° |
| C2' | C1' | N9 | C8 | 146.6° | 95.0° |
| C1' | C2' | C3' | H8 | 116.6° | 118.2° |
| C1' | C2' | C3' | C4' | 40.0° | 20.9° |
| C2' | C1' | O4' | C4' | 30.5° | 40.1° |
| C1' | C2' | O2' | H9 | 180.0° | 180.0° |
| C1' | C2' | C3' | H11 | 159.1° | 139.6° |
| O4' | C1' | N9 | C8 | 27.2° | 19.1° |
| O4' | C1' | C2' | C3' | 43.4° | 37.1° |
| C1' | O4' | C4' | C3' | 4.5° | 26.5° |
| C1' | O4' | C4' | C5' | 133.1° | 146.0° |
| O4' | C1' | C2' | H8 | 73.0° | 81.2° |
| C1' | O4' | C4' | H14 | 109.3° | 93.0° |
| N9 | C8 | N7 | H4 | 180.0° | 180.0° |
| C8 | N9 | C1' | H5 | 92.2° | 142.1° |
| C2' | C3' | C4' | H11 | 119.0° | 118.7° |
| C2' | C3' | C4' | O4' | 22.9° | 2.0° |
| C2' | C3' | C4' | C5' | 102.6° | 121.4° |
| C3' | C2' | C1' | H5 | 71.5° | 81.6° |
| C3' | C2' | O2' | H9 | 69.5° | 67.3° |
| C2' | C3' | O3' | H12 | 180.0° | 61.4° |
| C2' | C3' | C4' | H14 | 137.1° | 117.5° |
| C3' | C4' | O4' | C5' | 128.7° | 119.4° |
| C3' | C4' | O4' | H14 | 113.8° | 119.5° |
| C3' | C4' | C5' | H14 | 120.4° | 121.0° |
| C3' | C4' | C5' | O5' | 33.1° | 175.0° |
| C4' | C3' | C2' | H8 | 76.6° | 97.3° |
| C4' | C3' | O3' | H12 | 68.5° | 176.2° |
| C3' | C4' | C5' | H15 | 87.1° | 55.0° |
| C3' | C4' | C5' | H16 | 153.3° | 64.9° |
| O4' | C4' | C5' | H14 | 118.0° | 121.2° |
| O4' | C4' | C5' | O5' | 154.8° | 67.2° |
| C4' | O4' | C1' | H5 | 83.6° | 78.5° |
| O4' | C4' | C3' | H11 | 141.9° | 116.7° |
| O4' | C4' | C5' | H15 | 34.6° | 172.8° |
| O4' | C4' | C5' | H16 | 85.0° | 52.8° |
| C4' | C5' | O5' | H15 | 120.2° | 120.0° |
| C4' | C5' | O5' | H16 | 120.2° | 120.0° |
| C4' | C5' | O5' | PA | 94.8° | 180.0° |
| C5' | C4' | C3' | H11 | 16.4° | 2.7° |
| C4' | C5' | H15 | H16 | 119.4° | 119.9° |
| O2A | PA | O5' | C5' | 74.6° | 55.0° |
| O2A | PA | O5' | O3A | 118.1° | 120.0° |
| O2A | PA | O5' | S1G | 123.5° | 120.0° |
| O2A | PA | O3A | S1G | 147.1° | 120.0° |
| O2A | PA | O3A | PB | 116.2° | 60.1° |
| O2A | PA | S1G | H7 | 0.0° | 180.0° |
| C5' | O5' | PA | O3A | 43.5° | 175.0° |
| C5' | O5' | PA | S1G | 161.9° | 65.0° |
| O5' | C5' | C4' | H14 | 87.3° | 54.0° |
| O5' | C5' | H15 | H16 | 119.4° | 120.1° |
| O5' | PA | O3A | S1G | 94.2° | 120.0° |
| O5' | PA | O3A | PB | 125.1° | 180.0° |
| O5' | PA | S1G | H7 | 110.0° | 60.0° |
| PA | O5' | C5' | H15 | 145.0° | 60.0° |
| PA | O5' | C5' | H16 | 25.4° | 60.0° |
| PA | O3A | PB | O1B | 141.6° | 45.0° |
| PA | O3A | PB | O3B | 25.9° | 165.0° |
| PA | O3A | PB | O2B | 89.4° | 75.1° |
| O3A | PA | S1G | H7 | 142.0° | 60.0° |
| S1G | PA | O3A | PB | 30.9° | 60.0° |
| O3A | PB | O1B | O3B | 115.4° | 120.0° |
| O3A | PB | O1B | O2B | 122.2° | 120.0° |
| O3A | PB | O3B | O2B | 115.5° | 120.0° |
| O3A | PB | O3B | PG | 127.0° | 160.0° |
| O3A | PB | O2B | H10 | 122.1° | 60.0° |
| O1B | PB | O3B | O2B | 129.2° | 120.0° |
| O1B | PB | O3B | PG | 117.7° | 40.0° |
| O1B | PB | O2B | H10 | 0.0° | 180.0° |
| PB | O3B | PG | O2G | 161.2° | 40.0° |
| PB | O3B | PG | O1A | 82.7° | 160.0° |
| PB | O3B | PG | O3G | 47.0° | 80.0° |
| O3B | PB | O2B | H10 | 122.6° | 60.0° |
| O2B | PB | O3B | PG | 11.5° | 80.0° |
| O3B | PG | O2G | O1A | 115.7° | 120.0° |
| O3B | PG | O2G | O3G | 114.9° | 120.0° |
| O3B | PG | O1A | O3G | 123.2° | 120.0° |
| O3B | PG | O1A | H6 | 114.6° | 180.0° |
| O3B | PG | O3G | H13 | 113.7° | 60.0° |
| O2G | PG | O1A | O3G | 122.3° | 120.0° |
| O2G | PG | O1A | H6 | 0.0° | 60.0° |
| O2G | PG | O3G | H13 | 0.0° | 180.0° |
| O1A | PG | O3G | H13 | 123.1° | 60.0° |
| O3G | PG | O1A | H6 | 122.2° | 60.0° |
| H5 | C1' | C2' | H8 | 172.2° | 160.2° |
| H8 | C2' | O2' | H9 | 57.5° | 56.4° |
| H8 | C2' | C3' | H11 | 42.5° | 21.4° |
| H11 | C3' | O3' | H12 | 53.6° | 61.2° |
| H11 | C3' | C4' | H14 | 103.9° | 123.8° |
| H14 | C4' | C5' | H15 | 152.5° | 66.0° |
| H14 | C4' | C5' | H16 | 33.0° | 174.0° |
