A1IT4
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 | 1.33Å | |
| C2 | N1 | sing | 1.35Å | 1.39Å | |
| O4 | C4 | doub | 1.22Å | 1.25Å | |
| C4 | N2 | sing | 1.35Å | 1.35Å | |
| N1 | C1' | sing | 1.46Å | 1.42Å | |
| N1 | C7 | sing | 1.35Å | 1.40Å | |
| C1' | O4' | sing | 1.44Å | 1.39Å | |
| C1' | C2' | sing | 1.55Å | 1.52Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| O2' | C2' | sing | 1.43Å | 1.43Å | |
| N2 | C7 | sing | 1.35Å | 1.32Å | |
| C7 | O71 | doub | 1.21Å | 1.25Å | |
| O3' | C3' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.51Å | |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| O5' | P | sing | 1.61Å | 1.58Å | |
| O1P | P | doub | 1.48Å | 1.51Å | |
| P | O2P | sing | 1.61Å | 1.51Å | |
| P | O3P | sing | 1.61Å | 1.47Å | |
| O2P | H1 | sing | 0.97Å | 0.95Å | |
| C5' | H5'2 | sing | 1.09Å | 1.10Å | |
| C5' | H5'1 | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| O3P | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C2 | N3 | 122.3° | 120.0° |
| O2 | C2 | N1 | 119.6° | 120.0° |
| C2 | N3 | C4 | 120.5° | 120.0° |
| N3 | C2 | N1 | 118.0° | 120.0° |
| C2 | N3 | HN3 | 119.7° | 120.0° |
| N3 | C4 | O4 | 119.7° | 120.0° |
| N3 | C4 | N2 | 122.2° | 120.0° |
| C4 | N3 | HN3 | 119.7° | 120.0° |
| C2 | N1 | C1' | 122.7° | 120.0° |
| C2 | N1 | C7 | 120.2° | 120.0° |
| O4 | C4 | N2 | 118.1° | 120.0° |
| C4 | N2 | C7 | 120.1° | 120.0° |
| C4 | N2 | HN2 | 120.0° | 120.0° |
| C1' | N1 | C7 | 116.8° | 120.0° |
| N1 | C1' | O4' | 112.9° | 110.4° |
| N1 | C1' | C2' | 120.8° | 110.4° |
| N1 | C1' | H1' | 103.9° | 110.4° |
| N1 | C7 | N2 | 118.7° | 120.0° |
| N1 | C7 | O71 | 121.1° | 120.0° |
| O4' | C1' | C2' | 109.9° | 104.8° |
| C1' | O4' | C4' | 109.4° | 105.3° |
| O4' | C1' | H1' | 104.3° | 110.4° |
| C1' | C2' | O2' | 112.7° | 110.5° |
| C1' | C2' | C3' | 103.0° | 104.1° |
| C2' | C1' | H1' | 103.0° | 110.4° |
| C1' | C2' | H2' | 109.0° | 110.5° |
| O4' | C4' | C3' | 106.4° | 104.8° |
| O4' | C4' | C5' | 112.1° | 110.3° |
| O4' | C4' | H4' | 108.7° | 110.5° |
| O2' | C2' | C3' | 112.6° | 110.5° |
| O2' | C2' | H2' | 110.3° | 110.6° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| N2 | C7 | O71 | 120.1° | 120.0° |
| C7 | N2 | HN2 | 120.0° | 120.0° |
| O3' | C3' | C2' | 108.1° | 110.5° |
| O3' | C3' | C4' | 110.5° | 110.5° |
| O3' | C3' | H3' | 112.6° | 110.5° |
| C3' | O3' | HO3' | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.2° | 104.1° |
| C3' | C2' | H2' | 109.0° | 110.5° |
| C2' | C3' | H3' | 111.0° | 110.5° |
| C3' | C4' | C5' | 113.9° | 110.4° |
| C3' | C4' | H4' | 107.7° | 110.4° |
| C4' | C3' | H3' | 111.0° | 110.6° |
| C4' | C5' | O5' | 107.7° | 109.5° |
| C4' | C5' | H5'2 | 109.9° | 109.5° |
| C4' | C5' | H5'1 | 109.9° | 109.5° |
| C5' | C4' | H4' | 107.9° | 110.3° |
| C5' | O5' | P | 122.1° | 123.0° |
| O5' | C5' | H5'2 | 109.9° | 109.5° |
| O5' | C5' | H5'1 | 109.9° | 109.4° |
| O5' | P | O1P | 107.8° | 109.5° |
| O5' | P | O2P | 107.9° | 109.5° |
| O5' | P | O3P | 106.3° | 109.5° |
| O1P | P | O2P | 110.5° | 109.5° |
| O1P | P | O3P | 114.4° | 109.4° |
| O2P | P | O3P | 109.7° | 109.5° |
| P | O2P | H1 | 109.5° | 114.0° |
| P | O3P | H2 | 109.5° | 114.0° |
| H5'2 | C5' | H5'1 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C2 | N3 | N1 | 177.5° | 180.0° |
| O2 | C2 | N3 | C4 | 178.2° | 179.9° |
| O2 | C2 | N1 | C1' | 1.7° | 0.0° |
| O2 | C2 | N1 | C7 | 176.3° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.7° | 0.0° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | O4 | 177.4° | 179.7° |
| C2 | N3 | C4 | N2 | 1.5° | 0.1° |
| N3 | C2 | N1 | C1' | 179.3° | 180.0° |
| N3 | C2 | N1 | C7 | 6.1° | 0.0° |
| C4 | N3 | C2 | N1 | 4.2° | 0.1° |
| N3 | C4 | O4 | N2 | 178.9° | 179.8° |
| N3 | C4 | N2 | C7 | 0.5° | 0.0° |
| N3 | C4 | N2 | HN2 | 179.5° | 180.0° |
| C2 | N1 | C1' | C7 | 174.8° | 180.0° |
| C2 | N1 | C1' | O4' | 104.1° | 53.6° |
| C2 | N1 | C1' | C2' | 122.9° | 61.8° |
| C2 | N1 | C7 | N2 | 5.2° | 0.0° |
| C2 | N1 | C7 | O71 | 177.6° | 180.0° |
| C2 | N1 | C1' | H1' | 8.2° | 175.9° |
| N1 | C2 | N3 | HN3 | 175.8° | 180.0° |
| O4 | C4 | N2 | C7 | 178.4° | 179.8° |
| O4 | C4 | N3 | HN3 | 2.5° | 0.2° |
| O4 | C4 | N2 | HN2 | 1.6° | 0.2° |
| C4 | N2 | C7 | N1 | 2.3° | 0.0° |
| C4 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C4 | N2 | C7 | O71 | 179.6° | 180.0° |
| N2 | C4 | N3 | HN3 | 178.6° | 180.0° |
| N1 | C1' | O4' | C2' | 138.1° | 118.8° |
| N1 | C1' | O4' | H1' | 112.1° | 122.4° |
| N1 | C1' | C2' | H1' | 115.1° | 122.3° |
| N1 | C1' | O4' | C4' | 136.5° | 159.3° |
| N1 | C1' | C2' | O2' | 88.1° | 98.5° |
| C1' | N1 | C7 | N2 | 179.9° | 180.0° |
| C1' | N1 | C7 | O71 | 2.7° | 0.0° |
| N1 | C1' | C2' | C3' | 150.3° | 142.8° |
| N1 | C1' | C2' | H2' | 34.7° | 24.2° |
| C7 | N1 | C1' | O4' | 70.6° | 126.4° |
| C7 | N1 | C1' | C2' | 62.3° | 118.2° |
| N1 | C7 | N2 | O71 | 177.2° | 180.0° |
| C7 | N1 | C1' | H1' | 177.0° | 4.1° |
| N1 | C7 | N2 | HN2 | 177.6° | 180.0° |
| O4' | C1' | C2' | H1' | 110.7° | 118.8° |
| O4' | C1' | C2' | O2' | 137.7° | 142.6° |
| O4' | C1' | C2' | C3' | 16.1° | 24.0° |
| C1' | O4' | C4' | C3' | 18.9° | 40.5° |
| C1' | O4' | C4' | C5' | 106.2° | 159.3° |
| C1' | O4' | C4' | H4' | 134.6° | 78.4° |
| O4' | C1' | C2' | H2' | 99.6° | 94.7° |
| C2' | C1' | O4' | C4' | 1.6° | 40.5° |
| C1' | C2' | O2' | C3' | 116.0° | 114.6° |
| C1' | C2' | O2' | H2' | 122.0° | 122.6° |
| C1' | C2' | C3' | O3' | 91.0° | 118.7° |
| C1' | C2' | C3' | H2' | 115.7° | 118.6° |
| C1' | C2' | C3' | C4' | 26.1° | 0.0° |
| C1' | C2' | C3' | H3' | 145.1° | 118.7° |
| C1' | C2' | O2' | HO2' | 180.0° | 179.9° |
| O4' | C4' | C3' | O3' | 87.2° | 142.6° |
| O4' | C4' | C3' | C2' | 28.1° | 24.0° |
| O4' | C4' | C3' | C5' | 124.0° | 118.8° |
| O4' | C4' | C3' | H4' | 116.4° | 119.0° |
| O4' | C4' | C5' | H4' | 119.6° | 122.4° |
| O4' | C4' | C5' | O5' | 173.9° | 69.6° |
| O4' | C4' | C5' | H5'2 | 66.4° | 50.4° |
| O4' | C4' | C5' | H5'1 | 54.2° | 170.4° |
| C4' | O4' | C1' | H1' | 111.4° | 78.3° |
| O4' | C4' | C3' | H3' | 147.1° | 94.6° |
| O2' | C2' | C3' | O3' | 30.7° | 0.1° |
| O2' | C2' | C3' | H2' | 122.7° | 122.8° |
| O2' | C2' | C3' | C4' | 147.7° | 118.6° |
| O2' | C2' | C1' | H1' | 27.0° | 23.8° |
| O2' | C2' | C3' | H3' | 93.3° | 122.7° |
| O71 | C7 | N2 | HN2 | 0.4° | 0.0° |
| O3' | C3' | C2' | C4' | 117.1° | 118.7° |
| O3' | C3' | C2' | H3' | 124.0° | 122.6° |
| O3' | C3' | C4' | H3' | 125.7° | 122.7° |
| O3' | C3' | C4' | C5' | 148.8° | 98.6° |
| O3' | C3' | C4' | H4' | 29.2° | 23.7° |
| O3' | C3' | C2' | H2' | 153.3° | 122.7° |
| C2' | C3' | C4' | H3' | 119.0° | 118.6° |
| C2' | C3' | C4' | C5' | 95.9° | 142.8° |
| C2' | C3' | C4' | H4' | 144.5° | 95.0° |
| C3' | C2' | C1' | H1' | 94.5° | 94.9° |
| C2' | C3' | O3' | HO3' | 180.0° | 65.3° |
| C3' | C2' | O2' | HO2' | 64.0° | 65.4° |
| C3' | C4' | C5' | H4' | 119.5° | 122.3° |
| C3' | C4' | C5' | O5' | 65.2° | 175.0° |
| C3' | C4' | C5' | H5'2 | 54.5° | 65.0° |
| C3' | C4' | C5' | H5'1 | 175.1° | 55.0° |
| C4' | C3' | C2' | H2' | 89.6° | 118.6° |
| C4' | C3' | O3' | HO3' | 67.7° | 180.0° |
| C4' | C5' | O5' | H5'2 | 119.7° | 120.1° |
| C4' | C5' | O5' | H5'1 | 119.7° | 120.0° |
| C4' | C5' | O5' | P | 170.8° | 180.0° |
| C4' | C5' | H5'2 | H5'1 | 120.9° | 120.0° |
| C5' | C4' | C3' | H3' | 23.1° | 24.2° |
| C5' | O5' | P | O1P | 62.7° | 55.0° |
| C5' | O5' | P | O2P | 56.6° | 65.0° |
| C5' | O5' | P | O3P | 174.2° | 175.0° |
| O5' | C5' | H5'2 | H5'1 | 120.8° | 119.9° |
| O5' | C5' | C4' | H4' | 54.2° | 52.7° |
| O5' | P | O1P | O2P | 117.6° | 120.0° |
| O5' | P | O1P | O3P | 118.0° | 120.0° |
| O5' | P | O2P | O3P | 115.4° | 120.0° |
| O5' | P | O2P | H1 | 117.6° | 60.0° |
| P | O5' | C5' | H5'2 | 69.5° | 59.9° |
| P | O5' | C5' | H5'1 | 51.1° | 60.0° |
| O5' | P | O3P | H2 | 118.9° | 180.0° |
| O1P | P | O2P | O3P | 127.1° | 120.0° |
| O1P | P | O2P | H1 | 0.0° | 180.0° |
| O1P | P | O3P | H2 | 0.0° | 60.1° |
| O2P | P | O3P | H2 | 124.8° | 59.9° |
| O3P | P | O2P | H1 | 127.1° | 60.0° |
| H5'2 | C5' | C4' | H4' | 173.9° | 172.8° |
| H5'1 | C5' | C4' | H4' | 65.4° | 67.3° |
| H4' | C4' | C3' | H3' | 96.5° | 146.4° |
| H1' | C1' | C2' | H2' | 149.8° | 146.5° |
| H2' | C2' | C3' | H3' | 29.4° | 0.1° |
| H2' | C2' | O2' | HO2' | 58.0° | 57.3° |
| H3' | C3' | O3' | HO3' | 57.0° | 57.2° |
