A1LXK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C2' | sing | 1.53Å | 1.55Å | |
| C1' | N9 | sing | 1.47Å | 1.46Å | |
| C1' | O9' | sing | 1.43Å | 1.43Å | |
| C2 | N1 | sing | 1.36Å | 1.32Å | |
| C2 | N2 | sing | 1.37Å | 1.44Å | |
| C2 | N3 | doub | 1.32Å | 1.30Å | |
| C2' | C3' | sing | 1.53Å | 1.56Å | |
| C3' | C4' | sing | 1.53Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.41Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | |
| C4 | N3 | sing | 1.34Å | 1.34Å | |
| C4 | N9 | sing | 1.38Å | 1.33Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.43Å | 1.40Å | |
| C5 | C6 | sing | 1.40Å | 1.40Å | |
| C5 | N7 | sing | 1.40Å | 1.35Å | |
| C5' | O5' | sing | 1.43Å | 1.40Å | |
| C6 | N1 | sing | 1.35Å | 1.32Å | |
| C6 | O6 | doub | 1.22Å | 1.38Å | |
| C8 | N7 | sing | 1.35Å | 1.33Å | |
| C8 | N9 | sing | 1.35Å | 1.34Å | |
| C8 | O8 | doub | 1.22Å | 1.37Å | |
| O2P | P | doub | 1.48Å | 1.50Å | |
| O3P | P | sing | 1.61Å | 1.51Å | |
| O5' | P | sing | 1.61Å | 1.64Å | |
| O3P | H2 | sing | 0.97Å | 0.95Å | |
| C2' | H3 | sing | 1.09Å | 1.10Å | |
| C2' | H4 | sing | 1.09Å | 1.10Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| O4' | H8 | sing | 0.97Å | 0.95Å | |
| C3' | H9 | sing | 1.09Å | 1.10Å | |
| C1' | H10 | sing | 1.09Å | 1.10Å | |
| O3' | H11 | sing | 0.97Å | 0.95Å | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N2 | H13 | sing | 0.97Å | 1.00Å | |
| O9' | H16 | sing | 0.97Å | 0.95Å | |
| P | O1P | sing | 1.61Å | 1.55Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| N7 | H14 | sing | 0.97Å | 1.00Å | |
| O1P | H15 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C1' | N9 | 111.8° | 109.4° |
| C2' | C1' | O9' | 104.6° | 109.5° |
| C1' | C2' | C3' | 112.0° | 109.4° |
| C1' | C2' | H3 | 108.9° | 109.5° |
| C1' | C2' | H4 | 108.9° | 109.4° |
| C2' | C1' | H10 | 108.8° | 109.5° |
| N9 | C1' | O9' | 111.1° | 109.5° |
| C1' | N9 | C4 | 122.0° | 125.6° |
| C1' | N9 | C8 | 130.2° | 125.6° |
| N9 | C1' | H10 | 110.0° | 109.4° |
| O9' | C1' | H10 | 110.4° | 109.5° |
| C1' | O9' | H16 | 109.5° | 114.0° |
| N1 | C2 | N2 | 121.2° | 119.2° |
| N1 | C2 | N3 | 122.1° | 121.7° |
| C2 | N1 | C6 | 119.9° | 120.1° |
| C2 | N1 | H1 | 120.1° | 120.0° |
| N2 | C2 | N3 | 116.7° | 119.1° |
| C2 | N2 | H12 | 120.0° | 120.0° |
| C2 | N2 | H13 | 120.0° | 120.1° |
| C2 | N3 | C4 | 119.8° | 121.1° |
| C2' | C3' | C4' | 108.6° | 109.4° |
| C2' | C3' | O3' | 112.9° | 109.5° |
| C3' | C2' | H3 | 108.8° | 109.4° |
| C3' | C2' | H4 | 108.8° | 109.5° |
| C2' | C3' | H9 | 108.2° | 109.5° |
| C4' | C3' | O3' | 108.4° | 109.5° |
| C3' | C4' | C5' | 108.9° | 109.5° |
| C3' | C4' | O4' | 110.0° | 109.5° |
| C3' | C4' | H7 | 109.6° | 109.5° |
| C4' | C3' | H9 | 108.6° | 109.4° |
| O3' | C3' | H9 | 110.1° | 109.5° |
| C3' | O3' | H11 | 109.5° | 114.0° |
| C5 | C4 | N3 | 121.6° | 119.6° |
| C5 | C4 | N9 | 107.5° | 106.9° |
| C4 | C5 | C6 | 114.9° | 119.0° |
| C4 | C5 | N7 | 109.3° | 106.9° |
| N3 | C4 | N9 | 130.9° | 133.5° |
| C4 | N9 | C8 | 105.9° | 108.8° |
| C5' | C4' | O4' | 107.2° | 109.5° |
| C4' | C5' | O5' | 105.7° | 109.5° |
| C4' | C5' | H5 | 110.4° | 109.5° |
| C4' | C5' | H6 | 110.4° | 109.5° |
| C5' | C4' | H7 | 109.6° | 109.4° |
| O4' | C4' | H7 | 111.5° | 109.5° |
| C4' | O4' | H8 | 109.5° | 114.0° |
| C6 | C5 | N7 | 135.7° | 134.1° |
| C5 | C6 | N1 | 121.6° | 118.5° |
| C5 | C6 | O6 | 120.6° | 120.7° |
| C5 | N7 | C8 | 104.0° | 107.9° |
| C5 | N7 | H14 | 128.0° | 126.0° |
| C5' | O5' | P | 119.9° | 123.0° |
| O5' | C5' | H5 | 110.4° | 109.5° |
| O5' | C5' | H6 | 110.4° | 109.5° |
| N1 | C6 | O6 | 117.7° | 120.7° |
| C6 | N1 | H1 | 120.1° | 119.9° |
| N7 | C8 | N9 | 113.2° | 109.5° |
| N7 | C8 | O8 | 123.2° | 125.3° |
| C8 | N7 | H14 | 128.0° | 126.1° |
| N9 | C8 | O8 | 123.3° | 125.3° |
| O2P | P | O3P | 116.1° | 109.5° |
| O2P | P | O5' | 108.7° | 109.5° |
| O2P | P | O1P | 110.8° | 109.5° |
| O3P | P | O5' | 106.4° | 109.5° |
| P | O3P | H2 | 109.5° | 114.0° |
| O3P | P | O1P | 110.8° | 109.5° |
| O5' | P | O1P | 103.2° | 109.4° |
| H3 | C2' | H4 | 109.5° | 109.5° |
| H5 | C5' | H6 | 109.4° | 109.4° |
| H12 | N2 | H13 | 120.0° | 119.9° |
| P | O1P | H15 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C1' | N9 | O9' | 116.4° | 120.1° |
| C2' | C1' | N9 | H10 | 121.0° | 120.0° |
| C2' | C1' | O9' | H10 | 116.9° | 120.0° |
| C1' | C2' | C3' | H3 | 120.4° | 120.0° |
| C1' | C2' | C3' | H4 | 120.4° | 119.9° |
| C1' | C2' | C3' | C4' | 78.2° | 174.9° |
| C1' | C2' | C3' | O3' | 42.0° | 65.0° |
| C2' | C1' | N9 | C4 | 152.7° | 120.0° |
| C2' | C1' | N9 | C8 | 45.8° | 60.5° |
| C1' | C2' | H3 | H4 | 118.9° | 120.0° |
| C1' | C2' | C3' | H9 | 164.1° | 55.0° |
| C2' | C1' | O9' | H16 | 180.0° | 60.0° |
| N9 | C1' | O9' | H10 | 122.3° | 120.0° |
| N9 | C1' | C2' | C3' | 120.3° | 175.0° |
| C1' | N9 | C4 | C5 | 162.0° | 180.0° |
| C1' | N9 | C4 | N3 | 14.6° | 0.3° |
| C1' | N9 | C4 | C8 | 165.4° | 179.5° |
| C1' | N9 | C8 | N7 | 161.3° | 180.0° |
| C1' | N9 | C8 | O8 | 12.9° | 0.2° |
| N9 | C1' | C2' | H3 | 119.3° | 55.0° |
| N9 | C1' | C2' | H4 | 0.0° | 65.1° |
| N9 | C1' | O9' | H16 | 59.2° | 60.0° |
| O9' | C1' | C2' | C3' | 119.4° | 65.0° |
| O9' | C1' | N9 | C4 | 90.9° | 0.0° |
| O9' | C1' | N9 | C8 | 70.6° | 179.4° |
| O9' | C1' | C2' | H3 | 1.0° | 175.1° |
| O9' | C1' | C2' | H4 | 120.2° | 55.0° |
| N1 | C2 | N2 | N3 | 179.8° | 179.8° |
| N1 | C2 | N3 | C4 | 2.8° | 0.1° |
| C2 | N1 | C6 | C5 | 0.5° | 0.6° |
| C2 | N1 | C6 | H1 | 180.0° | 180.0° |
| C2 | N1 | C6 | O6 | 179.9° | 180.0° |
| N1 | C2 | N2 | H12 | 179.8° | 0.1° |
| N1 | C2 | N2 | H13 | 0.2° | 180.0° |
| N2 | C2 | N3 | C4 | 177.0° | 179.7° |
| N2 | C2 | N1 | C6 | 178.2° | 180.0° |
| C2 | N2 | H12 | H13 | 180.0° | 179.9° |
| N2 | C2 | N1 | H1 | 1.8° | 0.0° |
| C2 | N3 | C4 | C5 | 2.9° | 0.1° |
| C2 | N3 | C4 | N9 | 179.1° | 179.5° |
| N3 | C2 | N1 | C6 | 1.6° | 0.2° |
| N3 | C2 | N2 | H12 | 0.0° | 179.7° |
| N3 | C2 | N2 | H13 | 180.0° | 0.2° |
| N3 | C2 | N1 | H1 | 178.4° | 179.8° |
| C2' | C3' | C4' | O3' | 123.0° | 120.0° |
| C2' | C3' | C4' | H9 | 117.4° | 120.0° |
| C2' | C3' | O3' | H9 | 121.0° | 120.0° |
| C2' | C3' | C4' | C5' | 73.7° | 180.0° |
| C2' | C3' | C4' | O4' | 43.5° | 60.0° |
| C3' | C2' | H3 | H4 | 118.8° | 120.0° |
| C2' | C3' | C4' | H7 | 166.4° | 60.0° |
| C3' | C2' | C1' | H10 | 1.4° | 55.0° |
| C2' | C3' | O3' | H11 | 180.0° | 60.0° |
| C4' | C3' | O3' | H9 | 118.7° | 120.0° |
| C3' | C4' | C5' | O4' | 118.9° | 120.1° |
| C3' | C4' | C5' | H7 | 119.9° | 120.0° |
| C3' | C4' | O4' | H7 | 121.8° | 120.0° |
| C3' | C4' | C5' | O5' | 165.6° | 175.0° |
| C4' | C3' | C2' | H3 | 161.4° | 65.1° |
| C4' | C3' | C2' | H4 | 42.2° | 55.0° |
| C3' | C4' | C5' | H5 | 46.2° | 65.0° |
| C3' | C4' | C5' | H6 | 74.9° | 54.9° |
| C3' | C4' | O4' | H8 | 180.0° | 60.0° |
| C4' | C3' | O3' | H11 | 59.7° | 60.0° |
| O3' | C3' | C4' | C5' | 163.3° | 59.9° |
| O3' | C3' | C4' | O4' | 79.5° | 180.0° |
| O3' | C3' | C2' | H3 | 78.3° | 55.0° |
| O3' | C3' | C2' | H4 | 162.4° | 175.0° |
| O3' | C3' | C4' | H7 | 43.4° | 60.0° |
| C5 | C4 | N3 | N9 | 176.2° | 179.6° |
| C4 | C5 | C6 | N7 | 177.1° | 179.7° |
| C4 | C5 | C6 | N1 | 0.7° | 0.6° |
| C4 | C5 | C6 | O6 | 180.0° | 180.0° |
| C4 | C5 | N7 | C8 | 1.8° | 0.0° |
| C5 | C4 | N9 | C8 | 3.4° | 0.5° |
| C4 | C5 | N7 | H14 | 178.2° | 180.0° |
| N3 | C4 | C5 | C6 | 1.9° | 0.2° |
| N3 | C4 | C5 | N7 | 179.7° | 180.0° |
| N3 | C4 | N9 | C8 | 180.0° | 179.9° |
| N9 | C4 | C5 | C6 | 178.8° | 180.0° |
| N9 | C4 | C5 | N7 | 3.4° | 0.3° |
| C4 | N9 | C8 | N7 | 2.5° | 0.5° |
| C4 | N9 | C8 | O8 | 176.6° | 179.7° |
| C4 | N9 | C1' | H10 | 31.7° | 120.0° |
| C5' | C4' | O4' | H7 | 120.0° | 119.9° |
| C4' | C5' | O5' | H5 | 119.4° | 120.0° |
| C4' | C5' | O5' | H6 | 119.4° | 120.1° |
| C4' | C5' | O5' | P | 144.9° | 180.0° |
| C4' | C5' | H5 | H6 | 121.8° | 120.0° |
| C5' | C4' | O4' | H8 | 61.8° | 60.1° |
| C5' | C4' | C3' | H9 | 43.7° | 60.1° |
| O4' | C4' | C5' | O5' | 75.4° | 64.9° |
| O4' | C4' | C5' | H5 | 165.1° | 55.0° |
| O4' | C4' | C5' | H6 | 44.0° | 175.0° |
| O4' | C4' | C3' | H9 | 160.9° | 60.0° |
| C5 | C6 | N1 | O6 | 179.4° | 179.5° |
| C6 | C5 | N7 | C8 | 179.0° | 179.7° |
| C5 | C6 | N1 | H1 | 179.5° | 179.5° |
| C6 | C5 | N7 | H14 | 1.0° | 0.3° |
| N7 | C5 | C6 | N1 | 177.7° | 179.8° |
| N7 | C5 | C6 | O6 | 2.9° | 0.3° |
| C5 | N7 | C8 | H14 | 180.0° | 180.0° |
| C5 | N7 | C8 | N9 | 0.4° | 0.3° |
| C5 | N7 | C8 | O8 | 174.5° | 179.9° |
| C5' | O5' | P | O2P | 62.4° | 55.0° |
| C5' | O5' | P | O3P | 171.9° | 65.0° |
| O5' | C5' | H5 | H6 | 121.8° | 120.0° |
| O5' | C5' | C4' | H7 | 45.7° | 55.0° |
| C5' | O5' | P | O1P | 55.2° | 175.0° |
| O6 | C6 | N1 | H1 | 0.1° | 0.0° |
| N7 | C8 | N9 | O8 | 174.1° | 179.8° |
| C8 | N9 | C1' | H10 | 166.8° | 59.4° |
| N9 | C8 | N7 | H14 | 179.6° | 179.7° |
| O8 | C8 | N7 | H14 | 5.5° | 0.1° |
| O2P | P | O3P | O5' | 121.1° | 120.0° |
| O2P | P | O3P | O1P | 127.4° | 120.0° |
| O2P | P | O5' | O1P | 117.6° | 120.0° |
| O2P | P | O3P | H2 | 0.0° | 180.0° |
| O2P | P | O1P | H15 | 0.0° | 60.0° |
| O3P | P | O5' | O1P | 116.7° | 120.0° |
| O3P | P | O1P | H15 | 130.3° | 60.0° |
| O5' | P | O3P | H2 | 121.1° | 60.0° |
| P | O5' | C5' | H5 | 25.5° | 60.0° |
| P | O5' | C5' | H6 | 95.7° | 59.9° |
| O5' | P | O1P | H15 | 116.1° | 180.0° |
| H2 | O3P | P | O1P | 127.4° | 59.9° |
| H3 | C2' | C3' | H9 | 43.7° | 175.0° |
| H3 | C2' | C1' | H10 | 119.0° | 64.9° |
| H4 | C2' | C3' | H9 | 75.5° | 64.9° |
| H4 | C2' | C1' | H10 | 121.7° | 175.0° |
| H5 | C5' | C4' | H7 | 73.7° | 175.0° |
| H6 | C5' | C4' | H7 | 165.2° | 65.1° |
| H7 | C4' | O4' | H8 | 58.2° | 180.0° |
| H7 | C4' | C3' | H9 | 76.2° | 180.0° |
| H9 | C3' | O3' | H11 | 59.0° | 180.0° |
| H10 | C1' | O9' | H16 | 63.1° | 179.9° |
