5AE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C4 | sing | 1.37Å | 1.35Å | |
| N3 | C4 | doub | 1.33Å | 1.34Å | |
| N3 | C2 | sing | 1.34Å | 1.35Å | |
| O2 | C2 | doub | 1.22Å | 1.24Å | |
| C4 | N5 | sing | 1.34Å | 1.36Å | |
| C2 | N1 | sing | 1.35Å | 1.35Å | |
| N5 | C6 | doub | 1.31Å | 1.34Å | |
| N1 | C6 | sing | 1.35Å | 1.35Å | |
| N1 | C1' | sing | 1.47Å | 1.47Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | C3' | sing | 1.54Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.44Å | |
| C2' | C3' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| N4 | H1 | sing | 0.97Å | 1.00Å | |
| N4 | H2 | sing | 0.97Å | 1.00Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C1' | H4 | sing | 1.09Å | 1.10Å | |
| C4' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C5' | H7 | sing | 1.09Å | 1.10Å | |
| O5' | H8 | sing | 0.97Å | 0.95Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| C2' | H11 | sing | 1.09Å | 1.10Å | |
| O2' | H12 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C4 | N3 | 118.9° | 119.8° |
| N4 | C4 | N5 | 121.2° | 119.8° |
| C4 | N4 | H1 | 120.0° | 120.0° |
| C4 | N4 | H2 | 120.0° | 120.0° |
| C4 | N3 | C2 | 119.9° | 120.0° |
| N3 | C4 | N5 | 119.9° | 120.5° |
| N3 | C2 | O2 | 118.1° | 120.2° |
| N3 | C2 | N1 | 120.4° | 119.5° |
| O2 | C2 | N1 | 121.5° | 120.2° |
| C4 | N5 | C6 | 119.7° | 120.4° |
| C2 | N1 | C6 | 119.4° | 119.6° |
| C2 | N1 | C1' | 120.1° | 120.2° |
| N5 | C6 | N1 | 120.8° | 120.0° |
| N5 | C6 | H3 | 119.6° | 119.9° |
| C6 | N1 | C1' | 120.5° | 120.2° |
| N1 | C6 | H3 | 119.6° | 120.0° |
| N1 | C1' | O4' | 112.4° | 110.6° |
| N1 | C1' | C2' | 112.8° | 110.6° |
| N1 | C1' | H4 | 108.7° | 110.5° |
| C1' | O4' | C4' | 106.1° | 107.0° |
| O4' | C1' | C2' | 105.6° | 103.5° |
| O4' | C1' | H4 | 109.2° | 110.8° |
| O4' | C4' | C5' | 111.0° | 109.9° |
| O4' | C4' | C3' | 104.5° | 107.3° |
| O4' | C4' | H5 | 109.7° | 109.9° |
| C1' | C2' | O2' | 111.9° | 111.0° |
| C1' | C2' | C3' | 104.2° | 102.1° |
| C2' | C1' | H4 | 108.0° | 110.6° |
| C1' | C2' | H11 | 109.1° | 110.9° |
| C5' | C4' | C3' | 114.8° | 109.9° |
| C4' | C5' | O5' | 110.8° | 109.5° |
| C5' | C4' | H5 | 108.4° | 109.8° |
| C4' | C5' | H6 | 109.1° | 109.5° |
| C4' | C5' | H7 | 109.2° | 109.4° |
| C4' | C3' | C2' | 104.5° | 104.2° |
| C4' | C3' | O3' | 111.8° | 110.5° |
| C3' | C4' | H5 | 108.4° | 110.0° |
| C4' | C3' | H9 | 108.9° | 110.5° |
| O5' | C5' | H6 | 109.2° | 109.5° |
| O5' | C5' | H7 | 109.1° | 109.5° |
| C5' | O5' | H8 | 109.5° | 114.0° |
| O2' | C2' | C3' | 111.8° | 110.9° |
| O2' | C2' | H11 | 110.4° | 110.8° |
| C2' | O2' | H12 | 109.5° | 114.0° |
| C2' | C3' | O3' | 112.1° | 110.5° |
| C2' | C3' | H9 | 109.0° | 110.6° |
| C3' | C2' | H11 | 109.2° | 110.9° |
| O3' | C3' | H9 | 110.3° | 110.4° |
| C3' | O3' | H10 | 109.5° | 114.0° |
| H1 | N4 | H2 | 120.0° | 120.1° |
| H6 | C5' | H7 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C4 | N3 | N5 | 179.6° | 179.9° |
| N4 | C4 | N3 | C2 | 179.9° | 180.0° |
| N4 | C4 | N5 | C6 | 179.8° | 180.0° |
| C4 | N4 | H1 | H2 | 180.0° | 179.8° |
| C4 | N3 | C2 | O2 | 179.1° | 180.0° |
| C4 | N3 | C2 | N1 | 0.3° | 0.2° |
| N3 | C4 | N5 | C6 | 0.1° | 0.1° |
| N3 | C4 | N4 | H1 | 0.0° | 0.2° |
| N3 | C4 | N4 | H2 | 180.0° | 180.0° |
| N3 | C2 | O2 | N1 | 179.4° | 179.8° |
| C2 | N3 | C4 | N5 | 0.2° | 0.1° |
| N3 | C2 | N1 | C6 | 0.2° | 0.4° |
| N3 | C2 | N1 | C1' | 179.6° | 179.7° |
| O2 | C2 | N1 | C6 | 179.2° | 179.7° |
| O2 | C2 | N1 | C1' | 0.2° | 0.1° |
| C4 | N5 | C6 | N1 | 0.1° | 0.2° |
| N5 | C4 | N4 | H1 | 179.6° | 179.9° |
| N5 | C4 | N4 | H2 | 0.4° | 0.1° |
| C4 | N5 | C6 | H3 | 179.9° | 180.0° |
| C2 | N1 | C6 | N5 | 0.1° | 0.5° |
| C2 | N1 | C6 | C1' | 179.4° | 179.8° |
| C2 | N1 | C1' | O4' | 133.3° | 130.9° |
| C2 | N1 | C1' | C2' | 107.5° | 115.0° |
| C2 | N1 | C6 | H3 | 179.9° | 179.7° |
| C2 | N1 | C1' | H4 | 12.2° | 7.9° |
| N5 | C6 | N1 | H3 | 180.0° | 179.8° |
| N5 | C6 | N1 | C1' | 179.5° | 179.7° |
| C6 | N1 | C1' | O4' | 47.4° | 49.3° |
| C6 | N1 | C1' | C2' | 71.9° | 64.8° |
| C6 | N1 | C1' | H4 | 168.4° | 172.3° |
| N1 | C1' | O4' | C2' | 123.3° | 118.5° |
| N1 | C1' | O4' | H4 | 120.7° | 122.9° |
| N1 | C1' | O4' | C4' | 159.6° | 158.6° |
| N1 | C1' | C2' | H4 | 120.1° | 122.8° |
| N1 | C1' | C2' | O2' | 98.0° | 86.3° |
| N1 | C1' | C2' | C3' | 141.0° | 155.5° |
| C1' | N1 | C6 | H3 | 0.5° | 0.1° |
| N1 | C1' | C2' | H11 | 24.4° | 37.3° |
| O4' | C1' | C2' | H4 | 116.8° | 118.7° |
| C1' | O4' | C4' | C5' | 164.0° | 146.0° |
| C1' | O4' | C4' | C3' | 39.7° | 26.6° |
| O4' | C1' | C2' | O2' | 138.9° | 155.2° |
| O4' | C1' | C2' | C3' | 17.9° | 37.0° |
| C1' | O4' | C4' | H5 | 76.3° | 93.1° |
| O4' | C1' | C2' | H11 | 98.7° | 81.2° |
| C4' | O4' | C1' | C2' | 36.3° | 40.1° |
| O4' | C4' | C5' | C3' | 118.2° | 117.8° |
| O4' | C4' | C5' | H5 | 120.5° | 121.0° |
| O4' | C4' | C3' | H5 | 116.9° | 119.6° |
| O4' | C4' | C5' | O5' | 59.9° | 66.5° |
| O4' | C4' | C3' | C2' | 27.0° | 2.1° |
| O4' | C4' | C3' | O3' | 148.5° | 120.7° |
| C4' | O4' | C1' | H4 | 79.6° | 78.5° |
| O4' | C4' | C5' | H6 | 60.3° | 173.5° |
| O4' | C4' | C5' | H7 | 179.9° | 53.5° |
| O4' | C4' | C3' | H9 | 89.3° | 116.8° |
| C1' | C2' | C3' | C4' | 5.4° | 20.8° |
| C1' | C2' | O2' | C3' | 116.5° | 112.7° |
| C1' | C2' | O2' | H11 | 121.7° | 123.6° |
| C1' | C2' | C3' | H11 | 116.5° | 118.2° |
| C1' | C2' | C3' | O3' | 126.7° | 97.8° |
| C1' | C2' | C3' | H9 | 110.9° | 139.6° |
| C1' | C2' | O2' | H12 | 180.0° | 180.0° |
| C5' | C4' | C3' | H5 | 121.3° | 121.0° |
| C4' | C5' | O5' | H6 | 120.2° | 120.0° |
| C4' | C5' | O5' | H7 | 120.2° | 120.0° |
| C5' | C4' | C3' | C2' | 148.9° | 121.5° |
| C5' | C4' | C3' | O3' | 89.6° | 119.9° |
| C4' | C5' | H6 | H7 | 119.4° | 120.0° |
| C4' | C5' | O5' | H8 | 180.0° | 179.9° |
| C5' | C4' | C3' | H9 | 32.5° | 2.6° |
| C3' | C4' | C5' | O5' | 58.3° | 175.7° |
| C4' | C3' | C2' | O2' | 115.7° | 139.1° |
| C4' | C3' | C2' | O3' | 121.3° | 118.6° |
| C4' | C3' | C2' | H9 | 116.3° | 118.8° |
| C4' | C3' | O3' | H9 | 121.4° | 122.5° |
| C3' | C4' | C5' | H6 | 178.6° | 55.7° |
| C3' | C4' | C5' | H7 | 61.9° | 64.3° |
| C4' | C3' | O3' | H10 | 180.0° | 61.5° |
| C4' | C3' | C2' | H11 | 121.9° | 97.4° |
| O5' | C5' | C4' | H5 | 179.6° | 54.6° |
| O5' | C5' | H6 | H7 | 119.4° | 120.0° |
| O2' | C2' | C3' | H11 | 122.4° | 123.6° |
| O2' | C2' | C3' | O3' | 5.6° | 20.4° |
| O2' | C2' | C1' | H4 | 22.1° | 36.6° |
| O2' | C2' | C3' | H9 | 128.0° | 102.1° |
| C2' | C3' | O3' | H9 | 121.7° | 122.7° |
| C3' | C2' | C1' | H4 | 98.9° | 81.7° |
| C2' | C3' | C4' | H5 | 89.9° | 117.4° |
| C2' | C3' | O3' | H10 | 63.0° | 176.2° |
| C3' | C2' | O2' | H12 | 63.5° | 67.3° |
| O3' | C3' | C4' | H5 | 31.7° | 1.2° |
| O3' | C3' | C2' | H11 | 116.8° | 144.0° |
| H4 | C1' | C2' | H11 | 144.6° | 160.2° |
| H5 | C4' | C5' | H6 | 60.2° | 65.5° |
| H5 | C4' | C5' | H7 | 59.4° | 174.5° |
| H5 | C4' | C3' | H9 | 153.8° | 123.7° |
| H6 | C5' | O5' | H8 | 59.8° | 60.0° |
| H7 | C5' | O5' | H8 | 59.8° | 60.0° |
| H9 | C3' | O3' | H10 | 58.6° | 61.1° |
| H9 | C3' | C2' | H11 | 5.6° | 21.4° |
| H11 | C2' | O2' | H12 | 58.3° | 56.4° |
