TTI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3P | P | sing | 1.61Å | 1.61Å | |
| O3P | HO3P | sing | 0.97Å | 0.95Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C6 | sing | 1.47Å | 1.38Å | |
| N1 | C1' | sing | 1.46Å | 1.47Å | |
| N3 | C2 | sing | 1.34Å | 1.37Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.34Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O4 | C4 | doub | 1.22Å | 1.23Å | |
| C4 | C5 | sing | 1.41Å | 1.45Å | |
| C5 | TE5 | doub | 1.92Å | 2.14Å | |
| C5 | C6 | sing | 1.52Å | 1.34Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C1' | O4' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C4' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | P | sing | 1.61Å | 1.60Å | |
| O1P | P | doub | 1.48Å | 1.48Å | |
| P | O2P | sing | 1.61Å | 1.48Å | |
| O2P | HO2P | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3P | HO3P | 109.5° | 114.0° |
| O3P | P | O5' | 104.4° | 109.5° |
| O3P | P | O1P | 108.0° | 109.4° |
| O3P | P | O2P | 107.6° | 109.5° |
| C2 | N1 | C6 | 121.3° | 118.8° |
| C2 | N1 | C1' | 118.1° | 120.6° |
| N1 | C2 | N3 | 114.5° | 122.9° |
| N1 | C2 | O2 | 123.3° | 118.6° |
| C6 | N1 | C1' | 120.6° | 120.6° |
| N1 | C6 | C5 | 123.5° | 116.6° |
| N1 | C6 | H6 | 105.0° | 108.0° |
| N1 | C6 | H6A | 101.7° | 108.0° |
| N1 | C1' | O4' | 107.6° | 110.4° |
| N1 | C1' | C2' | 114.3° | 110.4° |
| N1 | C1' | H1' | 106.7° | 110.4° |
| N3 | C2 | O2 | 122.2° | 118.5° |
| C2 | N3 | C4 | 127.3° | 124.0° |
| C2 | N3 | HN3 | 116.3° | 118.0° |
| C4 | N3 | HN3 | 116.3° | 118.0° |
| N3 | C4 | O4 | 119.8° | 119.7° |
| N3 | C4 | C5 | 115.2° | 120.6° |
| O4 | C4 | C5 | 125.0° | 119.7° |
| C4 | C5 | TE5 | 118.9° | 121.4° |
| C4 | C5 | C6 | 118.1° | 117.1° |
| TE5 | C5 | C6 | 123.0° | 121.4° |
| C5 | C6 | H6 | 105.0° | 107.8° |
| C5 | C6 | H6A | 101.7° | 108.2° |
| H6 | C6 | H6A | 121.3° | 107.8° |
| O4' | C1' | C2' | 107.0° | 104.8° |
| O4' | C1' | H1' | 114.1° | 110.4° |
| C1' | O4' | C4' | 109.8° | 105.3° |
| C2' | C1' | H1' | 107.4° | 110.5° |
| C1' | C2' | C3' | 102.9° | 104.1° |
| C1' | C2' | H2' | 111.7° | 110.5° |
| C1' | C2' | H2'A | 113.1° | 110.5° |
| C3' | C2' | H2' | 111.7° | 110.5° |
| C3' | C2' | H2'A | 113.2° | 110.6° |
| C2' | C3' | C4' | 102.2° | 104.1° |
| C2' | C3' | O3' | 111.5° | 110.5° |
| C2' | C3' | H3' | 113.1° | 110.5° |
| H2' | C2' | H2'A | 104.5° | 110.6° |
| C4' | C3' | O3' | 110.2° | 110.5° |
| C4' | C3' | H3' | 114.4° | 110.6° |
| C3' | C4' | O4' | 104.7° | 104.8° |
| C3' | C4' | C5' | 114.9° | 110.4° |
| C3' | C4' | H4' | 109.4° | 110.4° |
| O3' | C3' | H3' | 105.5° | 110.4° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| O4' | C4' | C5' | 110.0° | 110.4° |
| O4' | C4' | H4' | 114.3° | 110.5° |
| C5' | C4' | H4' | 104.0° | 110.3° |
| C4' | C5' | O5' | 110.3° | 109.4° |
| C4' | C5' | H5' | 109.2° | 109.4° |
| C4' | C5' | H5'A | 109.0° | 109.4° |
| O5' | C5' | H5' | 109.2° | 109.5° |
| O5' | C5' | H5'A | 109.0° | 109.5° |
| C5' | O5' | P | 121.1° | 123.0° |
| H5' | C5' | H5'A | 110.2° | 109.5° |
| O5' | P | O1P | 107.8° | 109.5° |
| O5' | P | O2P | 108.7° | 109.5° |
| O1P | P | O2P | 119.4° | 109.5° |
| P | O2P | HO2P | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3P | P | O5' | C5' | 62.9° | 65.0° |
| O3P | P | O5' | O1P | 114.7° | 120.0° |
| O3P | P | O5' | O2P | 114.6° | 120.0° |
| O3P | P | O1P | O2P | 123.2° | 120.0° |
| O3P | P | O2P | HO2P | 63.2° | 60.0° |
| HO3P | O3P | P | O5' | 50.2° | 60.0° |
| HO3P | O3P | P | O1P | 64.3° | 179.9° |
| HO3P | O3P | P | O2P | 165.5° | 60.0° |
| C2 | N1 | C6 | C1' | 179.5° | 179.8° |
| N1 | C2 | N3 | O2 | 179.5° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.0° |
| N1 | C2 | N3 | HN3 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.1° | 0.1° |
| C2 | N1 | C6 | H6 | 120.1° | 121.6° |
| C2 | N1 | C6 | H6A | 112.7° | 122.1° |
| C2 | N1 | C1' | O4' | 157.4° | 53.8° |
| C2 | N1 | C1' | C2' | 84.0° | 61.6° |
| C2 | N1 | C1' | H1' | 34.5° | 176.1° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| C6 | N1 | C2 | O2 | 179.3° | 179.9° |
| N1 | C6 | C5 | C4 | 0.2° | 0.0° |
| N1 | C6 | C5 | TE5 | 179.9° | 179.9° |
| N1 | C6 | C5 | H6 | 120.0° | 121.6° |
| N1 | C6 | C5 | H6A | 112.7° | 122.0° |
| N1 | C6 | H6 | H6A | 114.2° | 116.5° |
| C6 | N1 | C1' | O4' | 22.2° | 126.4° |
| C6 | N1 | C1' | C2' | 96.4° | 118.2° |
| C6 | N1 | C1' | H1' | 145.0° | 4.1° |
| C1' | N1 | C2 | N3 | 179.3° | 179.7° |
| C1' | N1 | C2 | O2 | 1.2° | 0.3° |
| C1' | N1 | C6 | C5 | 179.5° | 179.7° |
| C1' | N1 | C6 | H6 | 59.4° | 58.2° |
| C1' | N1 | C6 | H6A | 67.8° | 58.1° |
| N1 | C1' | O4' | C2' | 123.2° | 118.8° |
| N1 | C1' | O4' | H1' | 118.2° | 122.3° |
| N1 | C1' | C2' | H1' | 118.2° | 122.3° |
| N1 | C1' | C2' | C3' | 97.1° | 142.8° |
| N1 | C1' | C2' | H2' | 142.9° | 98.5° |
| N1 | C1' | C2' | H2'A | 25.3° | 24.1° |
| N1 | C1' | O4' | C4' | 123.7° | 159.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 180.0° |
| C2 | N3 | C4 | O4 | 179.6° | 180.0° |
| C2 | N3 | C4 | C5 | 0.1° | 0.0° |
| O2 | C2 | N3 | C4 | 179.4° | 180.0° |
| O2 | C2 | N3 | HN3 | 0.6° | 0.0° |
| N3 | C4 | O4 | C5 | 179.5° | 180.0° |
| N3 | C4 | C5 | TE5 | 180.0° | 180.0° |
| N3 | C4 | C5 | C6 | 0.2° | 0.0° |
| HN3 | N3 | C4 | O4 | 0.3° | 0.0° |
| HN3 | N3 | C4 | C5 | 179.9° | 180.0° |
| O4 | C4 | C5 | TE5 | 0.4° | 0.0° |
| O4 | C4 | C5 | C6 | 179.8° | 180.0° |
| C4 | C5 | TE5 | C6 | 179.8° | 180.0° |
| C4 | C5 | C6 | H6 | 119.9° | 121.7° |
| C4 | C5 | C6 | H6A | 112.9° | 122.0° |
| TE5 | C5 | C6 | H6 | 59.9° | 58.3° |
| TE5 | C5 | C6 | H6A | 67.3° | 58.1° |
| C5 | C6 | H6 | H6A | 114.2° | 116.6° |
| O4' | C1' | C2' | H1' | 122.9° | 118.9° |
| O4' | C1' | C2' | C3' | 21.8° | 24.0° |
| O4' | C1' | C2' | H2' | 98.2° | 142.6° |
| O4' | C1' | C2' | H2'A | 144.2° | 94.7° |
| C1' | O4' | C4' | C3' | 22.7° | 40.5° |
| C1' | O4' | C4' | C5' | 146.6° | 159.3° |
| C1' | O4' | C4' | H4' | 96.9° | 78.4° |
| C1' | C2' | C3' | H2' | 120.0° | 118.6° |
| C1' | C2' | C3' | H2'A | 122.4° | 118.7° |
| C1' | C2' | H2' | H2'A | 122.7° | 122.6° |
| C1' | C2' | C3' | C4' | 34.3° | 0.0° |
| C1' | C2' | C3' | O3' | 152.0° | 118.7° |
| C1' | C2' | C3' | H3' | 89.1° | 118.8° |
| C2' | C1' | O4' | C4' | 0.5° | 40.5° |
| H1' | C1' | C2' | C3' | 144.7° | 94.9° |
| H1' | C1' | C2' | H2' | 24.7° | 23.8° |
| H1' | C1' | C2' | H2'A | 92.9° | 146.4° |
| H1' | C1' | O4' | C4' | 118.1° | 78.4° |
| C3' | C2' | H2' | H2'A | 122.7° | 122.7° |
| C2' | C3' | C4' | O3' | 118.7° | 118.7° |
| C2' | C3' | C4' | H3' | 122.6° | 118.7° |
| C2' | C3' | O3' | H3' | 123.2° | 122.6° |
| C2' | C3' | O3' | HO3' | 153.2° | 61.5° |
| C2' | C3' | C4' | O4' | 35.4° | 24.0° |
| C2' | C3' | C4' | C5' | 156.2° | 142.8° |
| C2' | C3' | C4' | H4' | 87.4° | 95.0° |
| H2' | C2' | C3' | C4' | 85.7° | 118.6° |
| H2' | C2' | C3' | O3' | 32.0° | 0.0° |
| H2' | C2' | C3' | H3' | 150.9° | 122.6° |
| H2'A | C2' | C3' | C4' | 156.7° | 118.6° |
| H2'A | C2' | C3' | O3' | 85.6° | 122.7° |
| H2'A | C2' | C3' | H3' | 33.3° | 0.1° |
| C4' | C3' | O3' | H3' | 124.0° | 122.7° |
| C4' | C3' | O3' | HO3' | 40.4° | 176.1° |
| C3' | C4' | O4' | C5' | 123.9° | 118.8° |
| C3' | C4' | O4' | H4' | 119.6° | 118.9° |
| C3' | C4' | C5' | H4' | 119.5° | 122.2° |
| C3' | C4' | C5' | O5' | 53.9° | 175.0° |
| C3' | C4' | C5' | H5' | 173.9° | 55.0° |
| C3' | C4' | C5' | H5'A | 65.7° | 65.0° |
| O3' | C3' | C4' | O4' | 154.1° | 142.6° |
| O3' | C3' | C4' | C5' | 85.1° | 98.5° |
| O3' | C3' | C4' | H4' | 31.3° | 23.7° |
| H3' | C3' | O3' | HO3' | 83.6° | 61.2° |
| H3' | C3' | C4' | O4' | 87.2° | 94.8° |
| H3' | C3' | C4' | C5' | 33.6° | 24.1° |
| H3' | C3' | C4' | H4' | 150.0° | 146.3° |
| O4' | C4' | C5' | H4' | 122.8° | 122.4° |
| O4' | C4' | C5' | O5' | 63.8° | 69.6° |
| O4' | C4' | C5' | H5' | 56.2° | 170.4° |
| O4' | C4' | C5' | H5'A | 176.5° | 50.4° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 119.6° | 119.9° |
| C4' | C5' | H5' | H5'A | 119.7° | 119.9° |
| C4' | C5' | O5' | P | 177.1° | 180.0° |
| H4' | C4' | C5' | O5' | 173.4° | 52.8° |
| H4' | C4' | C5' | H5' | 66.6° | 67.3° |
| H4' | C4' | C5' | H5'A | 53.8° | 172.8° |
| O5' | C5' | H5' | H5'A | 119.7° | 120.1° |
| C5' | O5' | P | O1P | 177.6° | 55.0° |
| C5' | O5' | P | O2P | 51.7° | 175.0° |
| H5' | C5' | O5' | P | 62.9° | 60.0° |
| H5'A | C5' | O5' | P | 57.4° | 60.1° |
| O5' | P | O1P | O2P | 124.5° | 120.0° |
| O5' | P | O2P | HO2P | 49.3° | 180.0° |
| O1P | P | O2P | HO2P | 173.4° | 60.0° |
