TTW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| N3 | C2 | sing | 1.35Å | 1.33Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| C2 | N1 | sing | 1.35Å | 1.44Å | |
| C4 | C5 | sing | 1.42Å | 1.50Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| N1 | C6 | sing | 1.37Å | 1.36Å | |
| C5 | C6 | doub | 1.35Å | 1.39Å | |
| C5 | C5M | sing | 1.51Å | 1.54Å | |
| C1' | C2' | sing | 1.54Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.47Å | |
| C3' | C4' | sing | 1.55Å | 1.50Å | |
| C3' | O3' | sing | 1.43Å | 1.46Å | |
| C4' | C5' | sing | 1.53Å | 1.55Å | |
| O5' | C5' | sing | 1.43Å | 1.44Å | |
| O5' | PA | sing | 1.61Å | 1.64Å | |
| O1A | PA | doub | 1.48Å | 1.50Å | |
| O1B | PB | doub | 1.48Å | 1.52Å | |
| PA | O3A | sing | 1.61Å | 1.60Å | |
| PA | O2A | sing | 1.61Å | 1.51Å | |
| O3A | PB | sing | 1.61Å | 1.65Å | |
| PB | N3B | sing | 1.68Å | 1.62Å | |
| PB | O2B | sing | 1.61Å | 1.48Å | |
| N3B | PG | sing | 1.68Å | 1.68Å | |
| PG | O3G | doub | 1.48Å | 1.48Å | |
| PG | O2G | sing | 1.61Å | 1.51Å | |
| PG | O1G | sing | 1.61Å | 1.47Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C5M | H2 | sing | 1.09Å | 1.10Å | |
| C5M | H3 | sing | 1.09Å | 1.10Å | |
| C5M | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.08Å | 1.08Å | |
| C1' | H6 | sing | 1.09Å | 1.10Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| C2' | H8 | sing | 1.09Å | 1.10Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| O2A | H14 | sing | 0.97Å | 0.95Å | |
| O2B | H15 | sing | 0.97Å | 0.95Å | |
| N3B | H16 | sing | 1.01Å | 1.00Å | |
| O1G | H17 | sing | 0.97Å | 0.95Å | |
| O2G | H18 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 116.9° | 119.6° |
| O2 | C2 | N1 | 120.7° | 119.5° |
| C2 | N3 | C4 | 119.9° | 120.3° |
| N3 | C2 | N1 | 122.4° | 120.9° |
| C2 | N3 | H1 | 120.1° | 119.8° |
| N3 | C4 | O4 | 119.8° | 120.3° |
| N3 | C4 | C5 | 120.7° | 119.4° |
| C4 | N3 | H1 | 120.0° | 119.9° |
| O4 | C4 | C5 | 119.5° | 120.3° |
| C2 | N1 | C1' | 119.8° | 119.7° |
| C2 | N1 | C6 | 119.0° | 120.6° |
| C4 | C5 | C6 | 116.6° | 119.1° |
| C4 | C5 | C5M | 121.7° | 120.5° |
| C1' | N1 | C6 | 121.2° | 119.7° |
| N1 | C1' | C2' | 111.9° | 109.9° |
| N1 | C1' | O4' | 108.1° | 109.8° |
| N1 | C1' | H6 | 110.7° | 109.9° |
| N1 | C6 | C5 | 121.4° | 119.7° |
| N1 | C6 | H5 | 119.3° | 120.1° |
| C6 | C5 | C5M | 121.8° | 120.4° |
| C5 | C6 | H5 | 119.3° | 120.2° |
| C5 | C5M | H2 | 109.5° | 109.5° |
| C5 | C5M | H3 | 109.5° | 109.5° |
| C5 | C5M | H4 | 109.5° | 109.4° |
| C2' | C1' | O4' | 104.8° | 107.3° |
| C1' | C2' | C3' | 105.9° | 104.2° |
| C2' | C1' | H6 | 109.7° | 109.9° |
| C1' | C2' | H7 | 110.4° | 110.4° |
| C1' | C2' | H8 | 110.4° | 110.5° |
| C1' | O4' | C4' | 110.5° | 107.0° |
| O4' | C1' | H6 | 111.4° | 110.0° |
| C2' | C3' | C4' | 100.1° | 102.1° |
| C2' | C3' | O3' | 113.5° | 110.9° |
| C3' | C2' | H7 | 110.4° | 110.5° |
| C3' | C2' | H8 | 110.4° | 110.5° |
| C2' | C3' | H9 | 109.0° | 110.9° |
| O4' | C4' | C3' | 106.7° | 103.5° |
| O4' | C4' | C5' | 111.7° | 110.6° |
| O4' | C4' | H11 | 109.2° | 110.6° |
| C4' | C3' | O3' | 114.2° | 110.9° |
| C3' | C4' | C5' | 112.2° | 110.7° |
| C4' | C3' | H9 | 109.4° | 110.9° |
| C3' | C4' | H11 | 108.8° | 110.6° |
| O3' | C3' | H9 | 110.1° | 110.8° |
| C3' | O3' | H10 | 109.5° | 114.1° |
| C4' | C5' | O5' | 105.9° | 109.5° |
| C5' | C4' | H11 | 108.2° | 110.7° |
| C4' | C5' | H12 | 110.3° | 109.5° |
| C4' | C5' | H13 | 110.4° | 109.5° |
| C5' | O5' | PA | 124.4° | 123.0° |
| O5' | C5' | H12 | 110.4° | 109.4° |
| O5' | C5' | H13 | 110.4° | 109.4° |
| O5' | PA | O1A | 106.8° | 109.5° |
| O5' | PA | O3A | 107.5° | 109.5° |
| O5' | PA | O2A | 111.9° | 109.5° |
| O1A | PA | O3A | 111.2° | 109.5° |
| O1A | PA | O2A | 108.3° | 109.5° |
| O1B | PB | O3A | 110.8° | 109.4° |
| O1B | PB | N3B | 109.8° | 109.5° |
| O1B | PB | O2B | 109.4° | 109.5° |
| O3A | PA | O2A | 111.1° | 109.4° |
| PA | O3A | PB | 127.8° | 134.0° |
| PA | O2A | H14 | 109.5° | 114.1° |
| O3A | PB | N3B | 103.3° | 109.5° |
| O3A | PB | O2B | 110.2° | 109.5° |
| N3B | PB | O2B | 113.2° | 109.5° |
| PB | N3B | PG | 122.3° | 111.0° |
| PB | N3B | H16 | 106.2° | 111.0° |
| PB | O2B | H15 | 109.5° | 114.0° |
| N3B | PG | O3G | 112.0° | 109.5° |
| N3B | PG | O2G | 105.4° | 109.5° |
| N3B | PG | O1G | 105.4° | 109.4° |
| PG | N3B | H16 | 106.2° | 111.0° |
| O3G | PG | O2G | 115.9° | 109.5° |
| O3G | PG | O1G | 107.8° | 109.5° |
| O2G | PG | O1G | 109.9° | 109.5° |
| PG | O2G | H18 | 109.5° | 114.0° |
| PG | O1G | H17 | 109.5° | 113.9° |
| H2 | C5M | H3 | 109.5° | 109.5° |
| H2 | C5M | H4 | 109.5° | 109.5° |
| H3 | C5M | H4 | 109.4° | 109.5° |
| H7 | C2' | H8 | 109.4° | 110.5° |
| H12 | C5' | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 177.7° | 179.9° |
| O2 | C2 | N3 | C4 | 178.7° | 180.0° |
| O2 | C2 | N1 | C1' | 0.6° | 0.1° |
| O2 | C2 | N1 | C6 | 178.7° | 179.8° |
| O2 | C2 | N3 | H1 | 1.3° | 0.1° |
| C2 | N3 | C4 | H1 | 180.0° | 179.8° |
| C2 | N3 | C4 | O4 | 179.2° | 180.0° |
| C2 | N3 | C4 | C5 | 0.8° | 0.4° |
| N3 | C2 | N1 | C1' | 177.0° | 180.0° |
| N3 | C2 | N1 | C6 | 1.0° | 0.1° |
| N3 | C4 | O4 | C5 | 179.9° | 179.6° |
| C4 | N3 | C2 | N1 | 1.0° | 0.1° |
| N3 | C4 | C5 | C6 | 0.7° | 0.3° |
| N3 | C4 | C5 | C5M | 179.8° | 179.7° |
| O4 | C4 | C5 | C6 | 179.4° | 180.0° |
| O4 | C4 | C5 | C5M | 0.1° | 0.1° |
| O4 | C4 | N3 | H1 | 0.8° | 0.2° |
| C2 | N1 | C1' | C6 | 178.0° | 179.9° |
| C2 | N1 | C6 | C5 | 0.9° | 0.1° |
| C2 | N1 | C1' | C2' | 103.8° | 64.9° |
| C2 | N1 | C1' | O4' | 141.2° | 52.9° |
| N1 | C2 | N3 | H1 | 179.0° | 180.0° |
| C2 | N1 | C6 | H5 | 179.1° | 179.8° |
| C2 | N1 | C1' | H6 | 18.9° | 174.0° |
| C4 | C5 | C6 | N1 | 0.7° | 0.1° |
| C4 | C5 | C6 | C5M | 179.5° | 179.9° |
| C5 | C4 | N3 | H1 | 179.2° | 179.8° |
| C4 | C5 | C5M | H2 | 180.0° | 0.0° |
| C4 | C5 | C5M | H3 | 60.0° | 120.0° |
| C4 | C5 | C5M | H4 | 60.0° | 120.0° |
| C4 | C5 | C6 | H5 | 179.3° | 180.0° |
| C1' | N1 | C6 | C5 | 177.1° | 180.0° |
| N1 | C1' | C2' | O4' | 117.0° | 119.4° |
| N1 | C1' | C2' | H6 | 123.3° | 121.1° |
| N1 | C1' | O4' | H6 | 121.9° | 121.1° |
| N1 | C1' | C2' | C3' | 95.7° | 121.5° |
| N1 | C1' | O4' | C4' | 119.3° | 145.9° |
| C1' | N1 | C6 | H5 | 2.9° | 0.1° |
| N1 | C1' | C2' | H7 | 144.8° | 119.9° |
| N1 | C1' | C2' | H8 | 23.7° | 2.7° |
| N1 | C6 | C5 | H5 | 180.0° | 180.0° |
| N1 | C6 | C5 | C5M | 179.7° | 180.0° |
| C6 | N1 | C1' | C2' | 74.2° | 115.2° |
| C6 | N1 | C1' | O4' | 40.8° | 127.0° |
| C6 | N1 | C1' | H6 | 163.1° | 5.9° |
| C6 | C5 | C5M | H2 | 0.5° | 180.0° |
| C6 | C5 | C5M | H3 | 120.5° | 59.9° |
| C6 | C5 | C5M | H4 | 119.5° | 60.0° |
| C5 | C5M | H2 | H3 | 120.0° | 120.0° |
| C5 | C5M | H2 | H4 | 120.0° | 120.0° |
| C5 | C5M | H3 | H4 | 120.0° | 119.9° |
| C5M | C5 | C6 | H5 | 0.2° | 0.0° |
| C2' | C1' | O4' | H6 | 118.6° | 119.5° |
| C1' | C2' | C3' | H7 | 119.5° | 118.7° |
| C1' | C2' | C3' | H8 | 119.5° | 118.7° |
| C2' | C1' | O4' | C4' | 0.3° | 26.5° |
| C1' | C2' | C3' | C4' | 32.7° | 20.8° |
| C1' | C2' | C3' | O3' | 154.8° | 139.1° |
| C1' | C2' | H7 | H8 | 121.6° | 122.6° |
| C1' | C2' | C3' | H9 | 82.1° | 97.4° |
| O4' | C1' | C2' | C3' | 21.2° | 2.1° |
| C1' | O4' | C4' | C3' | 21.4° | 40.1° |
| C1' | O4' | C4' | C5' | 144.4° | 158.6° |
| O4' | C1' | C2' | H7 | 98.2° | 120.8° |
| O4' | C1' | C2' | H8 | 140.7° | 116.6° |
| C1' | O4' | C4' | H11 | 96.0° | 78.4° |
| C2' | C3' | C4' | O4' | 32.6° | 37.0° |
| C2' | C3' | C4' | O3' | 121.6° | 118.2° |
| C2' | C3' | C4' | H9 | 114.4° | 118.2° |
| C2' | C3' | O3' | H9 | 122.4° | 123.6° |
| C2' | C3' | C4' | C5' | 155.2° | 155.5° |
| C3' | C2' | C1' | H6 | 141.0° | 117.5° |
| C3' | C2' | H7 | H8 | 121.6° | 122.6° |
| C2' | C3' | O3' | H10 | 125.8° | 61.4° |
| C2' | C3' | C4' | H11 | 85.0° | 81.5° |
| O4' | C4' | C3' | C5' | 122.6° | 118.5° |
| O4' | C4' | C3' | H11 | 117.7° | 118.5° |
| O4' | C4' | C3' | O3' | 154.2° | 155.2° |
| O4' | C4' | C5' | H11 | 120.2° | 123.0° |
| O4' | C4' | C5' | O5' | 60.2° | 66.5° |
| C4' | O4' | C1' | H6 | 118.9° | 93.0° |
| O4' | C4' | C3' | H9 | 81.8° | 81.2° |
| O4' | C4' | C5' | H12 | 59.2° | 173.5° |
| O4' | C4' | C5' | H13 | 179.7° | 53.6° |
| C4' | C3' | O3' | H9 | 123.6° | 123.6° |
| C3' | C4' | C5' | H11 | 120.1° | 123.0° |
| C3' | C4' | C5' | O5' | 59.5° | 179.5° |
| C4' | C3' | C2' | H7 | 86.8° | 97.8° |
| C4' | C3' | C2' | H8 | 152.1° | 139.6° |
| C4' | C3' | O3' | H10 | 120.3° | 174.2° |
| C3' | C4' | C5' | H12 | 178.9° | 59.5° |
| C3' | C4' | C5' | H13 | 60.0° | 60.5° |
| O3' | C3' | C4' | C5' | 83.2° | 86.3° |
| O3' | C3' | C2' | H7 | 35.3° | 20.4° |
| O3' | C3' | C2' | H8 | 85.7° | 102.2° |
| O3' | C3' | C4' | H11 | 36.5° | 36.8° |
| C4' | C5' | O5' | H12 | 119.4° | 120.0° |
| C4' | C5' | O5' | H13 | 119.4° | 120.0° |
| C4' | C5' | O5' | PA | 143.7° | 180.0° |
| C5' | C4' | C3' | H9 | 40.8° | 37.3° |
| C4' | C5' | H12 | H13 | 121.6° | 120.0° |
| C5' | O5' | PA | O1A | 149.9° | 55.0° |
| C5' | O5' | PA | O3A | 90.7° | 175.0° |
| C5' | O5' | PA | O2A | 31.6° | 65.0° |
| O5' | C5' | C4' | H11 | 179.6° | 56.5° |
| O5' | C5' | H12 | H13 | 121.7° | 119.9° |
| O5' | PA | O1A | O3A | 117.0° | 120.0° |
| O5' | PA | O1A | O2A | 120.7° | 120.0° |
| O5' | PA | O3A | O2A | 122.8° | 120.0° |
| O5' | PA | O3A | PB | 75.4° | 164.9° |
| PA | O5' | C5' | H12 | 96.9° | 60.0° |
| PA | O5' | C5' | H13 | 24.2° | 60.0° |
| O5' | PA | O2A | H14 | 117.4° | 60.0° |
| O1A | PA | O3A | O2A | 120.7° | 120.0° |
| O1A | PA | O3A | PB | 168.0° | 44.9° |
| O1A | PA | O2A | H14 | 0.0° | 180.0° |
| O1B | PB | O3A | PA | 110.3° | 60.0° |
| O1B | PB | O3A | N3B | 117.6° | 120.0° |
| O1B | PB | O3A | O2B | 121.2° | 120.0° |
| O1B | PB | N3B | O2B | 122.6° | 120.0° |
| O1B | PB | N3B | PG | 161.8° | 60.0° |
| O1B | PB | O2B | H15 | 0.0° | 180.0° |
| O1B | PB | N3B | H16 | 40.1° | 63.9° |
| PA | O3A | PB | N3B | 132.1° | 180.0° |
| PA | O3A | PB | O2B | 10.9° | 59.9° |
| O3A | PA | O2A | H14 | 122.4° | 60.0° |
| O2A | PA | O3A | PB | 47.3° | 75.1° |
| O3A | PB | N3B | O2B | 119.1° | 120.0° |
| O3A | PB | N3B | PG | 79.9° | 180.0° |
| O3A | PB | O2B | H15 | 122.1° | 60.1° |
| O3A | PB | N3B | H16 | 158.4° | 56.0° |
| PB | N3B | PG | H16 | 121.7° | 124.0° |
| PB | N3B | PG | O3G | 139.4° | 60.0° |
| PB | N3B | PG | O2G | 12.5° | 60.0° |
| PB | N3B | PG | O1G | 103.7° | 180.0° |
| N3B | PB | O2B | H15 | 122.8° | 60.0° |
| O2B | PB | N3B | PG | 39.3° | 60.0° |
| O2B | PB | N3B | H16 | 82.5° | 176.0° |
| N3B | PG | O3G | O2G | 120.9° | 120.0° |
| N3B | PG | O3G | O1G | 115.5° | 120.0° |
| N3B | PG | O2G | O1G | 113.2° | 120.0° |
| N3B | PG | O1G | H17 | 119.7° | 180.0° |
| N3B | PG | O2G | H18 | 124.4° | 60.0° |
| O3G | PG | O2G | O1G | 122.4° | 120.0° |
| O3G | PG | N3B | H16 | 98.9° | 64.0° |
| O3G | PG | O1G | H17 | 0.0° | 60.0° |
| O3G | PG | O2G | H18 | 0.0° | 180.0° |
| O2G | PG | N3B | H16 | 134.3° | 176.0° |
| O2G | PG | O1G | H17 | 127.2° | 60.0° |
| O1G | PG | N3B | H16 | 18.0° | 56.1° |
| O1G | PG | O2G | H18 | 122.4° | 60.0° |
| H2 | C5M | H3 | H4 | 120.0° | 120.0° |
| H6 | C1' | C2' | H7 | 21.5° | 1.2° |
| H6 | C1' | C2' | H8 | 99.6° | 123.8° |
| H7 | C2' | C3' | H9 | 158.4° | 144.0° |
| H8 | C2' | C3' | H9 | 37.4° | 21.4° |
| H9 | C3' | O3' | H10 | 3.4° | 62.2° |
| H9 | C3' | C4' | H11 | 160.5° | 160.3° |
| H11 | C4' | C5' | H12 | 61.0° | 63.5° |
| H11 | C4' | C5' | H13 | 60.1° | 176.5° |
