5IU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.39Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| N1 | C1' | sing | 1.46Å | 1.51Å | |
| C2 | N3 | sing | 1.35Å | 1.36Å | |
| C2 | O2 | doub | 1.22Å | 1.22Å | |
| N3 | C4 | sing | 1.35Å | 1.38Å | |
| N3 | HN3 | sing | 0.97Å | 1.02Å | |
| C4 | C5 | sing | 1.42Å | 1.43Å | |
| C4 | O4 | doub | 1.22Å | 1.25Å | |
| C5 | C6 | doub | 1.35Å | 1.43Å | |
| C5 | I5 | sing | 2.10Å | 2.12Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.45Å | |
| C1' | H1' | sing | 1.09Å | 1.12Å | |
| C2' | C3' | sing | 1.55Å | 1.51Å | |
| C2' | H2' | sing | 1.09Å | 1.12Å | |
| C2' | H2'' | sing | 1.09Å | 1.12Å | |
| C3' | C4' | sing | 1.54Å | 1.49Å | |
| C3' | O3' | sing | 1.43Å | 1.42Å | |
| C3' | H3' | sing | 1.09Å | 1.11Å | |
| C4' | O4' | sing | 1.45Å | 1.45Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | H4' | sing | 1.09Å | 1.11Å | |
| O3' | HO3' | sing | 0.97Å | 0.95Å | |
| C5' | O5' | sing | 1.43Å | 1.45Å | |
| C5' | H5' | sing | 1.09Å | 1.12Å | |
| C5' | H5'' | sing | 1.09Å | 1.11Å | |
| O5' | P | sing | 1.61Å | 1.64Å | |
| P | OP1 | doub | 1.48Å | 1.48Å | |
| P | OP2 | sing | 1.61Å | 1.49Å | |
| P | OP3 | sing | 1.61Å | 1.46Å | |
| OP2 | HOP2 | sing | 0.97Å | 0.95Å | |
| OP3 | HOP3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | C6 | 121.0° | 120.6° |
| C2 | N1 | C1' | 119.6° | 119.7° |
| N1 | C2 | N3 | 118.9° | 120.9° |
| N1 | C2 | O2 | 122.6° | 119.5° |
| C6 | N1 | C1' | 119.3° | 119.7° |
| N1 | C6 | C5 | 120.1° | 119.7° |
| N1 | C6 | H6 | 117.9° | 120.1° |
| N1 | C1' | C2' | 115.3° | 110.4° |
| N1 | C1' | O4' | 104.4° | 110.5° |
| N1 | C1' | H1' | 107.6° | 110.3° |
| N3 | C2 | O2 | 118.5° | 119.5° |
| C2 | N3 | C4 | 123.6° | 120.3° |
| C2 | N3 | HN3 | 117.6° | 119.8° |
| C4 | N3 | HN3 | 118.9° | 119.8° |
| N3 | C4 | C5 | 117.8° | 119.4° |
| N3 | C4 | O4 | 119.3° | 120.4° |
| C5 | C4 | O4 | 122.9° | 120.3° |
| C4 | C5 | C6 | 118.6° | 119.1° |
| C4 | C5 | I5 | 119.5° | 120.4° |
| C6 | C5 | I5 | 121.8° | 120.5° |
| C5 | C6 | H6 | 122.0° | 120.1° |
| C2' | C1' | O4' | 104.3° | 104.8° |
| C2' | C1' | H1' | 107.6° | 110.4° |
| C1' | C2' | C3' | 101.0° | 104.0° |
| C1' | C2' | H2' | 115.4° | 110.5° |
| C1' | C2' | H2'' | 115.4° | 110.5° |
| O4' | C1' | H1' | 118.0° | 110.4° |
| C1' | O4' | C4' | 109.9° | 105.4° |
| C3' | C2' | H2' | 115.4° | 110.6° |
| C3' | C2' | H2'' | 115.5° | 110.6° |
| C2' | C3' | C4' | 102.6° | 104.2° |
| C2' | C3' | O3' | 114.0° | 110.5° |
| C2' | C3' | H3' | 110.6° | 110.5° |
| H2' | C2' | H2'' | 95.0° | 110.5° |
| C4' | C3' | O3' | 107.7° | 110.5° |
| C4' | C3' | H3' | 116.6° | 110.5° |
| C3' | C4' | O4' | 104.4° | 104.7° |
| C3' | C4' | C5' | 115.8° | 110.7° |
| C3' | C4' | H4' | 108.7° | 110.3° |
| O3' | C3' | H3' | 105.6° | 110.5° |
| C3' | O3' | HO3' | 114.1° | 106.8° |
| O4' | C4' | C5' | 109.4° | 110.4° |
| O4' | C4' | H4' | 115.3° | 110.3° |
| C5' | C4' | H4' | 103.7° | 110.3° |
| C4' | C5' | O5' | 110.6° | 109.5° |
| C4' | C5' | H5' | 111.7° | 109.5° |
| C4' | C5' | H5'' | 111.7° | 109.5° |
| O5' | C5' | H5' | 111.8° | 109.4° |
| O5' | C5' | H5'' | 111.8° | 109.5° |
| C5' | O5' | P | 122.7° | 106.8° |
| H5' | C5' | H5'' | 98.6° | 109.5° |
| O5' | P | OP1 | 108.2° | 109.5° |
| O5' | P | OP2 | 109.8° | 109.5° |
| O5' | P | OP3 | 109.8° | 109.5° |
| OP1 | P | OP2 | 109.8° | 109.5° |
| OP1 | P | OP3 | 109.6° | 109.5° |
| OP2 | P | OP3 | 109.6° | 109.5° |
| P | OP2 | HOP2 | 109.9° | 106.8° |
| P | OP3 | HOP3 | 109.8° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | C6 | C1' | 177.0° | 179.7° |
| N1 | C2 | N3 | O2 | 179.4° | 179.3° |
| N1 | C2 | N3 | C4 | 1.1° | 0.6° |
| N1 | C2 | N3 | HN3 | 178.9° | 179.7° |
| C2 | N1 | C6 | C5 | 1.7° | 0.3° |
| C2 | N1 | C6 | H6 | 178.3° | 179.8° |
| C2 | N1 | C1' | C2' | 103.1° | 60.3° |
| C2 | N1 | C1' | O4' | 143.1° | 55.2° |
| C2 | N1 | C1' | H1' | 17.0° | 177.5° |
| C6 | N1 | C2 | N3 | 0.2° | 0.6° |
| C6 | N1 | C2 | O2 | 179.6° | 179.9° |
| N1 | C6 | C5 | C4 | 1.9° | 0.0° |
| N1 | C6 | C5 | H6 | 180.0° | 179.9° |
| N1 | C6 | C5 | I5 | 178.6° | 180.0° |
| C6 | N1 | C1' | C2' | 79.9° | 120.0° |
| C6 | N1 | C1' | O4' | 33.9° | 124.5° |
| C6 | N1 | C1' | H1' | 160.1° | 2.3° |
| C1' | N1 | C2 | N3 | 177.2° | 179.6° |
| C1' | N1 | C2 | O2 | 3.4° | 0.3° |
| C1' | N1 | C6 | C5 | 178.7° | 179.9° |
| C1' | N1 | C6 | H6 | 1.3° | 0.0° |
| N1 | C1' | C2' | O4' | 113.8° | 119.0° |
| N1 | C1' | C2' | H1' | 120.0° | 122.2° |
| N1 | C1' | O4' | H1' | 119.3° | 122.2° |
| N1 | C1' | C2' | C3' | 146.4° | 142.9° |
| N1 | C1' | C2' | H2' | 88.4° | 24.3° |
| N1 | C1' | C2' | H2'' | 21.1° | 98.4° |
| N1 | C1' | O4' | C4' | 132.6° | 159.3° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.6° |
| C2 | N3 | C4 | C5 | 0.8° | 0.3° |
| C2 | N3 | C4 | O4 | 179.1° | 179.6° |
| O2 | C2 | N3 | C4 | 178.3° | 180.0° |
| O2 | C2 | N3 | HN3 | 1.7° | 0.4° |
| N3 | C4 | C5 | O4 | 179.9° | 180.0° |
| N3 | C4 | C5 | C6 | 0.7° | 0.0° |
| N3 | C4 | C5 | I5 | 179.8° | 180.0° |
| HN3 | N3 | C4 | C5 | 179.2° | 180.0° |
| HN3 | N3 | C4 | O4 | 0.9° | 0.0° |
| C4 | C5 | C6 | I5 | 179.5° | 180.0° |
| C4 | C5 | C6 | H6 | 178.1° | 179.9° |
| O4 | C4 | C5 | C6 | 179.4° | 179.9° |
| O4 | C4 | C5 | I5 | 0.1° | 0.0° |
| I5 | C5 | C6 | H6 | 1.4° | 0.1° |
| C2' | C1' | O4' | H1' | 119.3° | 118.8° |
| C1' | C2' | C3' | H2' | 125.2° | 118.6° |
| C1' | C2' | C3' | H2'' | 125.3° | 118.7° |
| C1' | C2' | H2' | H2'' | 121.3° | 122.7° |
| C1' | C2' | C3' | C4' | 41.8° | 0.1° |
| C1' | C2' | C3' | O3' | 74.3° | 118.7° |
| C1' | C2' | C3' | H3' | 166.8° | 118.8° |
| C2' | C1' | O4' | C4' | 11.2° | 40.4° |
| O4' | C1' | C2' | C3' | 32.6° | 23.9° |
| O4' | C1' | C2' | H2' | 157.8° | 94.7° |
| O4' | C1' | C2' | H2'' | 92.8° | 142.6° |
| C1' | O4' | C4' | C3' | 15.3° | 40.3° |
| C1' | O4' | C4' | C5' | 109.2° | 159.5° |
| C1' | O4' | C4' | H4' | 134.5° | 78.4° |
| H1' | C1' | C2' | C3' | 93.6° | 94.9° |
| H1' | C1' | C2' | H2' | 31.7° | 146.4° |
| H1' | C1' | C2' | H2'' | 141.1° | 23.8° |
| H1' | C1' | O4' | C4' | 108.1° | 78.5° |
| C3' | C2' | H2' | H2'' | 121.3° | 122.7° |
| C2' | C3' | C4' | O3' | 120.6° | 118.7° |
| C2' | C3' | C4' | H3' | 121.0° | 118.7° |
| C2' | C3' | O3' | H3' | 121.6° | 122.5° |
| C2' | C3' | C4' | O4' | 35.7° | 23.8° |
| C2' | C3' | C4' | C5' | 84.5° | 142.7° |
| C2' | C3' | C4' | H4' | 159.2° | 94.9° |
| C2' | C3' | O3' | HO3' | 179.9° | 63.3° |
| H2' | C2' | C3' | C4' | 167.0° | 118.5° |
| H2' | C2' | C3' | O3' | 50.9° | 122.7° |
| H2' | C2' | C3' | H3' | 67.9° | 0.2° |
| H2'' | C2' | C3' | C4' | 83.5° | 118.7° |
| H2'' | C2' | C3' | O3' | 160.4° | 0.0° |
| H2'' | C2' | C3' | H3' | 41.5° | 122.5° |
| C4' | C3' | O3' | H3' | 125.3° | 122.6° |
| C3' | C4' | O4' | C5' | 124.5° | 119.2° |
| C3' | C4' | O4' | H4' | 119.2° | 118.6° |
| C3' | C4' | C5' | H4' | 119.0° | 122.3° |
| C4' | C3' | O3' | HO3' | 67.0° | 178.1° |
| C3' | C4' | C5' | O5' | 76.3° | 176.9° |
| C3' | C4' | C5' | H5' | 49.0° | 63.1° |
| C3' | C4' | C5' | H5'' | 158.4° | 56.9° |
| O3' | C3' | C4' | O4' | 84.9° | 142.5° |
| O3' | C3' | C4' | C5' | 154.9° | 98.6° |
| O3' | C3' | C4' | H4' | 38.6° | 23.8° |
| H3' | C3' | C4' | O4' | 156.7° | 94.9° |
| H3' | C3' | C4' | C5' | 36.4° | 24.0° |
| H3' | C3' | C4' | H4' | 79.8° | 146.4° |
| H3' | C3' | O3' | HO3' | 58.3° | 59.2° |
| O4' | C4' | C5' | H4' | 123.5° | 122.2° |
| O4' | C4' | C5' | O5' | 166.2° | 61.4° |
| O4' | C4' | C5' | H5' | 68.5° | 178.6° |
| O4' | C4' | C5' | H5'' | 40.9° | 58.6° |
| C4' | C5' | O5' | H5' | 125.2° | 120.0° |
| C4' | C5' | O5' | H5'' | 125.2° | 120.0° |
| C4' | C5' | H5' | H5'' | 117.6° | 120.0° |
| C4' | C5' | O5' | P | 134.8° | 180.0° |
| H4' | C4' | C5' | O5' | 42.7° | 60.7° |
| H4' | C4' | C5' | H5' | 168.0° | 59.2° |
| H4' | C4' | C5' | H5'' | 82.6° | 179.2° |
| O5' | C5' | H5' | H5'' | 117.8° | 120.0° |
| C5' | O5' | P | OP1 | 25.8° | 60.0° |
| C5' | O5' | P | OP2 | 94.0° | 180.0° |
| C5' | O5' | P | OP3 | 145.4° | 60.1° |
| H5' | C5' | O5' | P | 9.6° | 60.0° |
| H5'' | C5' | O5' | P | 99.9° | 60.0° |
| O5' | P | OP1 | OP2 | 119.9° | 120.0° |
| O5' | P | OP1 | OP3 | 119.7° | 120.0° |
| O5' | P | OP2 | OP3 | 120.7° | 120.0° |
| O5' | P | OP2 | HOP2 | 180.0° | 180.0° |
| O5' | P | OP3 | HOP3 | 180.0° | 60.0° |
| OP1 | P | OP2 | OP3 | 120.4° | 120.0° |
| OP1 | P | OP2 | HOP2 | 61.1° | 60.0° |
| OP1 | P | OP3 | HOP3 | 61.3° | 180.0° |
| OP2 | P | OP3 | HOP3 | 59.2° | 60.0° |
| OP3 | P | OP2 | HOP2 | 59.3° | 60.0° |
