40A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.22Å | |
| C | C5' | sing | 1.51Å | 1.51Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.32Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.36Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.31Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C8 | sing | 1.36Å | 1.37Å | Aromatic |
| N9 | C8' | sing | 1.47Å | 1.48Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | N | sing | 1.47Å | 1.42Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | C2M | sing | 1.53Å | 1.49Å | |
| C2M | H2MA | sing | 1.09Å | 1.10Å | |
| C3' | CA | sing | 1.53Å | 1.51Å | |
| N4' | C3' | sing | 1.46Å | 1.47Å | |
| N4' | C5' | sing | 1.46Å | 1.48Å | |
| C5' | H15' | sing | 1.09Å | 1.10Å | |
| C5' | H25' | sing | 1.09Å | 1.10Å | |
| C7' | N4' | sing | 1.35Å | 1.34Å | |
| O7' | C7' | doub | 1.21Å | 1.22Å | |
| C8' | C7' | sing | 1.51Å | 1.49Å | |
| C8' | H18' | sing | 1.09Å | 1.10Å | |
| H3 | C2 | sing | 1.08Å | 1.08Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| H13' | C3' | sing | 1.09Å | 1.10Å | |
| H23' | C3' | sing | 1.09Å | 1.10Å | |
| HN6 | N6 | sing | 0.97Å | 1.00Å | |
| H28' | C8' | sing | 1.09Å | 1.10Å | |
| H2M | C2M | sing | 1.09Å | 1.10Å | |
| H2MB | C2M | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C5' | 118.5° | 120.0° |
| O | C | OXT | 120.7° | 120.1° |
| C5' | C | OXT | 120.8° | 120.0° |
| C | C5' | N4' | 114.4° | 109.5° |
| C | C5' | H15' | 107.8° | 109.5° |
| C | C5' | H25' | 107.9° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| C2 | N1 | C6 | 117.7° | 121.1° |
| N1 | C2 | N3 | 127.9° | 122.5° |
| N1 | C2 | H3 | 116.1° | 118.7° |
| N1 | C6 | C5 | 121.9° | 118.5° |
| N1 | C6 | N6 | 113.0° | 120.7° |
| C2 | N3 | C4 | 112.0° | 120.7° |
| N3 | C2 | H3 | 116.0° | 118.8° |
| N3 | C4 | N9 | 127.0° | 134.9° |
| N3 | C4 | C5 | 127.1° | 119.0° |
| N9 | C4 | C5 | 105.8° | 106.0° |
| C4 | N9 | C8 | 105.2° | 107.4° |
| C4 | N9 | C8' | 126.9° | 126.3° |
| C4 | C5 | N7 | 111.3° | 107.1° |
| C4 | C5 | C6 | 113.4° | 118.2° |
| N7 | C5 | C6 | 135.2° | 134.7° |
| C5 | N7 | C8 | 102.9° | 109.4° |
| C5 | C6 | N6 | 125.2° | 120.8° |
| C6 | N6 | HN6A | 109.5° | 120.1° |
| C6 | N6 | HN6 | 109.4° | 120.0° |
| HN6A | N6 | HN6 | 109.5° | 120.0° |
| N7 | C8 | H8 | 122.7° | 125.0° |
| N7 | C8 | N9 | 114.6° | 110.0° |
| H8 | C8 | N9 | 122.7° | 125.0° |
| C8 | N9 | C8' | 127.7° | 126.3° |
| N9 | C8' | C7' | 111.1° | 109.5° |
| N9 | C8' | H18' | 108.9° | 109.4° |
| N9 | C8' | H28' | 108.9° | 109.5° |
| H2 | N | CA | 109.5° | 111.0° |
| H2 | N | H | 109.4° | 111.0° |
| N | CA | HA | 111.6° | 109.5° |
| N | CA | C2M | 105.5° | 109.5° |
| N | CA | C3' | 110.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| HA | CA | C2M | 111.8° | 109.5° |
| HA | CA | C3' | 106.6° | 109.5° |
| CA | C2M | H2MA | 109.5° | 109.5° |
| C2M | CA | C3' | 110.6° | 109.4° |
| CA | C2M | H2M | 109.4° | 109.4° |
| CA | C2M | H2MB | 109.5° | 109.5° |
| H2MA | C2M | H2M | 109.5° | 109.5° |
| H2MA | C2M | H2MB | 109.5° | 109.5° |
| CA | C3' | N4' | 112.6° | 109.5° |
| CA | C3' | H13' | 108.4° | 109.4° |
| CA | C3' | H23' | 108.4° | 109.5° |
| C3' | N4' | C5' | 113.8° | 120.1° |
| C3' | N4' | C7' | 125.4° | 120.0° |
| N4' | C3' | H13' | 108.5° | 109.5° |
| N4' | C3' | H23' | 108.4° | 109.5° |
| N4' | C5' | H15' | 107.9° | 109.4° |
| N4' | C5' | H25' | 107.9° | 109.5° |
| C5' | N4' | C7' | 120.4° | 119.9° |
| H15' | C5' | H25' | 111.0° | 109.4° |
| N4' | C7' | O7' | 121.8° | 120.0° |
| N4' | C7' | C8' | 118.8° | 120.0° |
| O7' | C7' | C8' | 119.3° | 120.0° |
| C7' | C8' | H18' | 108.9° | 109.4° |
| C7' | C8' | H28' | 108.9° | 109.5° |
| H18' | C8' | H28' | 110.0° | 109.5° |
| H13' | C3' | H23' | 110.5° | 109.5° |
| H2M | C2M | H2MB | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C5' | OXT | 180.0° | 179.8° |
| O | C | C5' | N4' | 166.2° | 0.1° |
| O | C | C5' | H15' | 46.2° | 120.0° |
| O | C | C5' | H25' | 73.8° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | C5' | N4' | C3' | 87.6° | 90.0° |
| C | C5' | N4' | H15' | 120.0° | 120.0° |
| C | C5' | N4' | H25' | 120.0° | 120.1° |
| C | C5' | H15' | H25' | 118.0° | 120.0° |
| C | C5' | N4' | C7' | 85.5° | 90.0° |
| C5' | C | OXT | HXT | 180.0° | 179.8° |
| OXT | C | C5' | N4' | 13.8° | 179.7° |
| OXT | C | C5' | H15' | 133.8° | 59.8° |
| OXT | C | C5' | H25' | 106.2° | 60.2° |
| N1 | C2 | N3 | H3 | 180.0° | 180.0° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| C2 | N1 | C6 | N6 | 179.2° | 180.0° |
| C6 | N1 | C2 | N3 | 0.9° | 0.0° |
| N1 | C6 | C5 | C4 | 1.5° | 0.0° |
| N1 | C6 | C5 | N7 | 176.6° | 180.0° |
| N1 | C6 | C5 | N6 | 178.8° | 180.0° |
| N1 | C6 | N6 | HN6A | 0.0° | 0.0° |
| C6 | N1 | C2 | H3 | 179.1° | 180.0° |
| N1 | C6 | N6 | HN6 | 120.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.2° | 179.9° |
| C2 | N3 | C4 | C5 | 0.9° | 0.0° |
| N3 | C4 | N9 | C5 | 179.9° | 179.9° |
| N3 | C4 | C5 | N7 | 176.6° | 179.9° |
| N3 | C4 | C5 | C6 | 1.9° | 0.1° |
| N3 | C4 | N9 | C8 | 175.9° | 179.9° |
| N3 | C4 | N9 | C8' | 1.2° | 0.1° |
| C4 | N3 | C2 | H3 | 179.4° | 179.9° |
| N9 | C4 | C5 | N7 | 3.2° | 0.0° |
| N9 | C4 | C5 | C6 | 178.2° | 180.0° |
| C4 | N9 | C8 | N7 | 3.6° | 0.0° |
| C4 | N9 | C8 | H8 | 176.4° | 180.0° |
| C4 | N9 | C8 | C8' | 174.7° | 180.0° |
| C4 | N9 | C8' | C7' | 96.0° | 85.0° |
| C4 | N9 | C8' | H18' | 144.0° | 155.0° |
| C4 | N9 | C8' | H28' | 24.0° | 35.0° |
| C4 | C5 | N7 | C6 | 178.2° | 180.0° |
| C4 | C5 | C6 | N6 | 179.7° | 180.0° |
| C4 | C5 | N7 | C8 | 1.1° | 0.0° |
| C5 | C4 | N9 | C8 | 3.9° | 0.0° |
| C5 | C4 | N9 | C8' | 178.7° | 180.0° |
| N7 | C5 | C6 | N6 | 2.2° | 0.0° |
| C5 | N7 | C8 | H8 | 178.4° | 180.0° |
| C5 | N7 | C8 | N9 | 1.6° | 0.0° |
| C5 | C6 | N6 | HN6A | 178.9° | 180.0° |
| C6 | C5 | N7 | C8 | 179.2° | 180.0° |
| C5 | C6 | N6 | HN6 | 61.1° | 0.1° |
| C6 | N6 | HN6A | HN6 | 120.0° | 180.0° |
| N7 | C8 | H8 | N9 | 180.0° | 180.0° |
| N7 | C8 | N9 | C8' | 178.3° | 180.0° |
| H8 | C8 | N9 | C8' | 1.7° | 0.0° |
| C8 | N9 | C8' | C7' | 77.6° | 95.0° |
| C8 | N9 | C8' | H18' | 42.4° | 25.0° |
| C8 | N9 | C8' | H28' | 162.4° | 145.0° |
| N9 | C8' | C7' | N4' | 180.0° | 180.0° |
| N9 | C8' | C7' | O7' | 3.0° | 0.1° |
| N9 | C8' | C7' | H18' | 120.0° | 120.0° |
| N9 | C8' | C7' | H28' | 120.0° | 120.0° |
| N9 | C8' | H18' | H28' | 119.3° | 120.0° |
| H2 | N | CA | H | 120.0° | 123.9° |
| H2 | N | CA | HA | 58.3° | 56.1° |
| H2 | N | CA | C2M | 180.0° | 64.0° |
| H2 | N | CA | C3' | 60.3° | 176.1° |
| N | CA | HA | C2M | 117.9° | 120.0° |
| N | CA | HA | C3' | 121.1° | 120.0° |
| N | CA | C2M | C3' | 119.8° | 120.0° |
| N | CA | C2M | H2MA | 180.0° | 60.0° |
| N | CA | C3' | N4' | 70.1° | 55.0° |
| N | CA | C3' | H13' | 169.8° | 175.0° |
| N | CA | C3' | H23' | 49.9° | 65.0° |
| N | CA | C2M | H2M | 60.0° | 60.0° |
| N | CA | C2M | H2MB | 60.0° | 180.0° |
| HA | CA | C2M | C3' | 118.6° | 120.0° |
| HA | CA | C2M | H2MA | 58.5° | 180.0° |
| HA | CA | C3' | N4' | 51.5° | 65.0° |
| HA | CA | N | H | 178.3° | 180.0° |
| HA | CA | C3' | H13' | 68.5° | 55.0° |
| HA | CA | C3' | H23' | 171.5° | 175.0° |
| HA | CA | C2M | H2M | 61.5° | 60.0° |
| HA | CA | C2M | H2MB | 178.5° | 59.9° |
| CA | C2M | H2MA | H2M | 120.0° | 120.0° |
| CA | C2M | H2MA | H2MB | 120.0° | 120.1° |
| C2M | CA | C3' | N4' | 173.3° | 175.0° |
| C2M | CA | N | H | 60.0° | 59.9° |
| C2M | CA | C3' | H13' | 53.2° | 65.0° |
| C2M | CA | C3' | H23' | 66.7° | 55.0° |
| CA | C2M | H2M | H2MB | 120.0° | 120.0° |
| H2MA | C2M | CA | C3' | 60.2° | 60.0° |
| H2MA | C2M | H2M | H2MB | 120.0° | 120.0° |
| CA | C3' | N4' | H13' | 120.0° | 120.0° |
| CA | C3' | N4' | H23' | 120.0° | 120.0° |
| CA | C3' | N4' | C5' | 77.2° | 90.0° |
| CA | C3' | N4' | C7' | 110.1° | 90.0° |
| C3' | CA | N | H | 59.7° | 60.0° |
| CA | C3' | H13' | H23' | 118.7° | 120.0° |
| C3' | CA | C2M | H2M | 179.8° | 180.0° |
| C3' | CA | C2M | H2MB | 59.9° | 60.0° |
| C3' | N4' | C5' | C7' | 173.1° | 180.0° |
| C3' | N4' | C5' | H15' | 32.4° | 30.0° |
| C3' | N4' | C5' | H25' | 152.4° | 150.0° |
| C3' | N4' | C7' | O7' | 172.9° | 0.1° |
| C3' | N4' | C7' | C8' | 4.0° | 180.0° |
| N4' | C3' | H13' | H23' | 118.7° | 120.0° |
| N4' | C5' | H15' | H25' | 118.0° | 120.0° |
| C5' | N4' | C7' | O7' | 0.7° | 180.0° |
| C5' | N4' | C7' | C8' | 176.2° | 0.1° |
| C5' | N4' | C3' | H13' | 42.8° | 30.0° |
| C5' | N4' | C3' | H23' | 162.8° | 150.0° |
| H15' | C5' | N4' | C7' | 154.5° | 150.0° |
| H25' | C5' | N4' | C7' | 34.5° | 30.1° |
| N4' | C7' | O7' | C8' | 176.9° | 179.9° |
| N4' | C7' | C8' | H18' | 60.0° | 60.0° |
| C7' | N4' | C3' | H13' | 129.9° | 150.0° |
| C7' | N4' | C3' | H23' | 9.9° | 30.0° |
| N4' | C7' | C8' | H28' | 60.0° | 60.0° |
| O7' | C7' | C8' | H18' | 123.0° | 120.0° |
| O7' | C7' | C8' | H28' | 117.0° | 120.0° |
| C7' | C8' | H18' | H28' | 119.3° | 120.0° |
