A1KB4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C7 | sing | 1.35Å | 1.50Å | |
| C7 | C1' | sing | 1.51Å | 1.50Å | |
| C7 | O7 | doub | 1.21Å | 1.19Å | |
| C1' | C2' | sing | 1.53Å | 1.53Å | |
| C1' | O5' | sing | 1.43Å | 1.48Å | |
| C2' | C3' | sing | 1.53Å | 1.46Å | |
| O3' | C3' | sing | 1.43Å | 1.48Å | |
| C4' | C3' | sing | 1.53Å | 1.48Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | O4' | sing | 1.43Å | 1.42Å | |
| O5' | C5' | sing | 1.43Å | 1.47Å | |
| C5' | C6' | sing | 1.53Å | 1.51Å | |
| C6' | O6' | sing | 1.43Å | 1.43Å | |
| C2' | O1 | sing | 1.43Å | 1.85Å | |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C4' | H2 | sing | 1.09Å | 1.10Å | |
| C3' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C1' | H5 | sing | 1.09Å | 1.10Å | |
| C6' | H6 | sing | 1.09Å | 1.10Å | |
| C6' | H7 | sing | 1.09Å | 1.10Å | |
| O6' | H8 | sing | 0.97Å | 0.95Å | |
| O4' | H9 | sing | 0.97Å | 0.95Å | |
| O3' | H10 | sing | 0.97Å | 0.95Å | |
| N1 | H11 | sing | 0.97Å | 1.00Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| O1 | H13 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C7 | C1' | 119.2° | 120.0° |
| N1 | C7 | O7 | 120.1° | 120.0° |
| C7 | N1 | H11 | 120.0° | 120.0° |
| C7 | N1 | H12 | 120.0° | 120.0° |
| C1' | C7 | O7 | 120.6° | 120.0° |
| C7 | C1' | C2' | 111.3° | 109.5° |
| C7 | C1' | O5' | 111.0° | 109.5° |
| C7 | C1' | H5 | 108.2° | 109.5° |
| C2' | C1' | O5' | 110.0° | 109.4° |
| C1' | C2' | C3' | 113.1° | 109.2° |
| C1' | C2' | O1 | 111.6° | 109.5° |
| C1' | C2' | H4 | 109.9° | 109.6° |
| C2' | C1' | H5 | 107.8° | 109.5° |
| C1' | O5' | C5' | 111.7° | 114.1° |
| O5' | C1' | H5 | 108.5° | 109.5° |
| C2' | C3' | O3' | 105.6° | 109.6° |
| C2' | C3' | C4' | 111.3° | 109.0° |
| C3' | C2' | O1 | 104.6° | 109.5° |
| C2' | C3' | H3 | 109.4° | 109.6° |
| C3' | C2' | H4 | 110.9° | 109.5° |
| O3' | C3' | C4' | 112.0° | 109.6° |
| O3' | C3' | H3 | 109.2° | 109.5° |
| C3' | O3' | H10 | 109.5° | 114.1° |
| C3' | C4' | C5' | 109.9° | 109.2° |
| C3' | C4' | O4' | 109.7° | 109.5° |
| C3' | C4' | H2 | 109.3° | 109.5° |
| C4' | C3' | H3 | 109.2° | 109.5° |
| C5' | C4' | O4' | 109.4° | 109.5° |
| C4' | C5' | O5' | 112.5° | 109.4° |
| C4' | C5' | C6' | 109.2° | 109.5° |
| C4' | C5' | H1 | 108.5° | 109.4° |
| C5' | C4' | H2 | 108.5° | 109.5° |
| O4' | C4' | H2 | 110.1° | 109.5° |
| C4' | O4' | H9 | 109.5° | 114.1° |
| O5' | C5' | C6' | 108.2° | 109.5° |
| O5' | C5' | H1 | 109.5° | 109.5° |
| C5' | C6' | O6' | 108.5° | 109.5° |
| C6' | C5' | H1 | 108.8° | 109.4° |
| C5' | C6' | H6 | 109.7° | 109.5° |
| C5' | C6' | H7 | 109.7° | 109.4° |
| O6' | C6' | H6 | 109.7° | 109.5° |
| O6' | C6' | H7 | 109.7° | 109.4° |
| C6' | O6' | H8 | 109.5° | 114.0° |
| O1 | C2' | H4 | 106.4° | 109.5° |
| C2' | O1 | H13 | 109.5° | 114.0° |
| H6 | C6' | H7 | 109.5° | 109.5° |
| H11 | N1 | H12 | 119.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C7 | C1' | O7 | 180.0° | 179.7° |
| N1 | C7 | C1' | C2' | 83.4° | 65.3° |
| N1 | C7 | C1' | O5' | 153.7° | 174.8° |
| N1 | C7 | C1' | H5 | 34.8° | 54.8° |
| C7 | N1 | H11 | H12 | 180.0° | 180.0° |
| C7 | C1' | C2' | O5' | 123.4° | 120.0° |
| C7 | C1' | C2' | H5 | 118.5° | 120.0° |
| C7 | C1' | O5' | H5 | 118.7° | 120.0° |
| C7 | C1' | C2' | C3' | 155.5° | 177.6° |
| C7 | C1' | O5' | C5' | 173.5° | 178.9° |
| C7 | C1' | C2' | O1 | 37.8° | 57.7° |
| C7 | C1' | C2' | H4 | 79.9° | 62.5° |
| C1' | C7 | N1 | H11 | 180.0° | 0.0° |
| C1' | C7 | N1 | H12 | 0.1° | 180.0° |
| O7 | C7 | C1' | C2' | 96.6° | 115.0° |
| O7 | C7 | C1' | O5' | 26.2° | 4.9° |
| O7 | C7 | C1' | H5 | 145.1° | 124.9° |
| O7 | C7 | N1 | H11 | 0.0° | 179.7° |
| O7 | C7 | N1 | H12 | 180.0° | 0.3° |
| C2' | C1' | O5' | H5 | 117.7° | 120.0° |
| C1' | C2' | C3' | O1 | 121.6° | 119.9° |
| C1' | C2' | C3' | H4 | 124.0° | 120.0° |
| C1' | C2' | C3' | O3' | 151.5° | 62.9° |
| C1' | C2' | C3' | C4' | 29.7° | 57.0° |
| C2' | C1' | O5' | C5' | 62.9° | 61.2° |
| C1' | C2' | O1 | H4 | 119.9° | 120.2° |
| C1' | C2' | C3' | H3 | 91.1° | 176.8° |
| C1' | C2' | O1 | H13 | 180.0° | 60.3° |
| O5' | C1' | C2' | C3' | 32.1° | 57.6° |
| C1' | O5' | C5' | C4' | 28.7° | 61.1° |
| C1' | O5' | C5' | C6' | 149.4° | 178.8° |
| O5' | C1' | C2' | O1 | 85.6° | 62.3° |
| C1' | O5' | C5' | H1 | 92.1° | 58.8° |
| O5' | C1' | C2' | H4 | 156.6° | 177.6° |
| C2' | C3' | O3' | C4' | 121.3° | 119.6° |
| C2' | C3' | O3' | H3 | 117.6° | 120.3° |
| C2' | C3' | C4' | H3 | 120.9° | 119.9° |
| C2' | C3' | C4' | C5' | 64.0° | 57.0° |
| C2' | C3' | C4' | O4' | 175.7° | 63.0° |
| C3' | C2' | O1 | H4 | 117.5° | 120.1° |
| C2' | C3' | C4' | H2 | 55.0° | 176.9° |
| C3' | C2' | C1' | H5 | 86.0° | 62.4° |
| C2' | C3' | O3' | H10 | 180.0° | 60.4° |
| C3' | C2' | O1 | H13 | 57.4° | 180.0° |
| O3' | C3' | C4' | H3 | 121.1° | 120.1° |
| O3' | C3' | C4' | C5' | 178.1° | 63.0° |
| O3' | C3' | C4' | O4' | 57.8° | 177.1° |
| O3' | C3' | C2' | O1 | 86.9° | 177.1° |
| O3' | C3' | C4' | H2 | 63.0° | 56.9° |
| O3' | C3' | C2' | H4 | 27.5° | 57.0° |
| C3' | C4' | C5' | O4' | 120.5° | 119.9° |
| C3' | C4' | C5' | H2 | 119.4° | 119.9° |
| C3' | C4' | O4' | H2 | 120.3° | 120.1° |
| C3' | C4' | C5' | O5' | 33.1° | 57.6° |
| C3' | C4' | C5' | C6' | 87.1° | 177.6° |
| C4' | C3' | C2' | O1 | 151.3° | 63.0° |
| C3' | C4' | C5' | H1 | 154.4° | 62.4° |
| C4' | C3' | C2' | H4 | 94.4° | 177.0° |
| C3' | C4' | O4' | H9 | 180.0° | 60.0° |
| C4' | C3' | O3' | H10 | 58.6° | 180.0° |
| C5' | C4' | O4' | H2 | 119.1° | 120.2° |
| C4' | C5' | O5' | C6' | 120.7° | 120.0° |
| C4' | C5' | O5' | H1 | 120.8° | 120.0° |
| C4' | C5' | C6' | H1 | 118.3° | 120.0° |
| C4' | C5' | C6' | O6' | 105.9° | 175.0° |
| C5' | C4' | C3' | H3 | 56.9° | 176.9° |
| C4' | C5' | C6' | H6 | 13.9° | 55.0° |
| C4' | C5' | C6' | H7 | 134.2° | 65.0° |
| C5' | C4' | O4' | H9 | 59.4° | 179.7° |
| O4' | C4' | C5' | O5' | 153.6° | 62.3° |
| O4' | C4' | C5' | C6' | 33.4° | 57.7° |
| O4' | C4' | C5' | H1 | 85.1° | 177.7° |
| O4' | C4' | C3' | H3 | 63.4° | 56.9° |
| O5' | C5' | C6' | H1 | 118.9° | 120.0° |
| O5' | C5' | C6' | O6' | 131.3° | 65.0° |
| O5' | C5' | C4' | H2 | 86.3° | 177.5° |
| C5' | O5' | C1' | H5 | 54.7° | 58.8° |
| O5' | C5' | C6' | H6 | 108.9° | 175.0° |
| O5' | C5' | C6' | H7 | 11.4° | 55.0° |
| C5' | C6' | O6' | H6 | 119.9° | 120.1° |
| C5' | C6' | O6' | H7 | 119.8° | 119.9° |
| C6' | C5' | C4' | H2 | 153.5° | 62.4° |
| C5' | C6' | H6 | H7 | 120.4° | 120.0° |
| C5' | C6' | O6' | H8 | 180.0° | 179.9° |
| O6' | C6' | C5' | H1 | 12.4° | 55.1° |
| O6' | C6' | H6 | H7 | 120.4° | 120.0° |
| O1 | C2' | C3' | H3 | 30.5° | 56.9° |
| O1 | C2' | C1' | H5 | 156.3° | 177.7° |
| H1 | C5' | C4' | H2 | 35.0° | 57.5° |
| H1 | C5' | C6' | H6 | 132.2° | 65.0° |
| H1 | C5' | C6' | H7 | 107.5° | 175.0° |
| H2 | C4' | C3' | H3 | 175.8° | 63.2° |
| H2 | C4' | O4' | H9 | 59.7° | 60.1° |
| H3 | C3' | C2' | H4 | 144.9° | 63.2° |
| H3 | C3' | O3' | H10 | 62.4° | 59.9° |
| H4 | C2' | C1' | H5 | 38.6° | 57.5° |
| H4 | C2' | O1 | H13 | 60.1° | 59.9° |
| H6 | C6' | O6' | H8 | 60.1° | 60.0° |
| H7 | C6' | O6' | H8 | 60.2° | 60.0° |
