40G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C5' | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N1 | C2 | sing | 1.36Å | 1.32Å | |
| C2 | N3 | doub | 1.31Å | 1.31Å | |
| N2 | C2 | sing | 1.37Å | 1.28Å | |
| N2 | HN2 | sing | 0.97Å | 1.00Å | |
| C4 | N3 | sing | 1.34Å | 1.35Å | |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.37Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| C6 | N1 | sing | 1.35Å | 1.35Å | |
| C6 | C5 | sing | 1.41Å | 1.42Å | |
| O6 | C6 | doub | 1.22Å | 1.22Å | |
| N7 | C8 | doub | 1.30Å | 1.30Å | Aromatic |
| C8 | N9 | sing | 1.37Å | 1.36Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N9 | C8' | sing | 1.46Å | 1.47Å | |
| N | CA | sing | 1.47Å | 1.42Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | C2M | sing | 1.53Å | 1.49Å | |
| C2M | H2MA | sing | 1.09Å | 1.10Å | |
| C2M | H2M | sing | 1.09Å | 1.10Å | |
| C3' | CA | sing | 1.53Å | 1.52Å | |
| C3' | H23' | sing | 1.09Å | 1.10Å | |
| N4' | C3' | sing | 1.46Å | 1.46Å | |
| N4' | C5' | sing | 1.47Å | 1.46Å | |
| C5' | H25' | sing | 1.09Å | 1.10Å | |
| C7' | N4' | sing | 1.35Å | 1.34Å | |
| O7' | C7' | doub | 1.21Å | 1.23Å | |
| C8' | C7' | sing | 1.51Å | 1.52Å | |
| C8' | H28' | sing | 1.09Å | 1.10Å | |
| C8' | H18' | sing | 1.09Å | 1.10Å | |
| HN1 | N1 | sing | 0.97Å | 1.00Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| HN2A | N2 | sing | 0.97Å | 1.00Å | |
| H13' | C3' | sing | 1.09Å | 1.10Å | |
| H15' | C5' | 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) |
| C5' | C | O | 118.4° | 120.0° |
| C5' | C | OXT | 120.8° | 120.0° |
| C | C5' | N4' | 114.2° | 109.5° |
| C | C5' | H25' | 108.0° | 109.4° |
| C | C5' | H15' | 108.0° | 109.5° |
| O | C | OXT | 120.8° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| N1 | C2 | N3 | 126.5° | 121.9° |
| N1 | C2 | N2 | 115.1° | 119.1° |
| C2 | N1 | C6 | 123.1° | 120.4° |
| C2 | N1 | HN1 | 118.4° | 119.7° |
| N3 | C2 | N2 | 118.2° | 119.0° |
| C2 | N3 | C4 | 111.6° | 121.1° |
| C2 | N2 | HN2 | 120.0° | 119.9° |
| C2 | N2 | HN2A | 120.0° | 120.1° |
| HN2 | N2 | HN2A | 120.0° | 120.0° |
| N3 | C4 | N9 | 126.8° | 134.2° |
| N3 | C4 | C5 | 127.5° | 119.7° |
| N9 | C4 | C5 | 105.8° | 106.1° |
| C4 | N9 | C8 | 105.8° | 107.5° |
| C4 | N9 | C8' | 126.8° | 126.3° |
| C4 | C5 | N7 | 110.9° | 107.3° |
| C4 | C5 | C6 | 117.0° | 118.6° |
| N7 | C5 | C6 | 132.1° | 134.1° |
| C5 | N7 | C8 | 103.2° | 109.3° |
| N1 | C6 | C5 | 114.4° | 118.4° |
| N1 | C6 | O6 | 116.1° | 120.8° |
| C6 | N1 | HN1 | 118.5° | 119.9° |
| C5 | C6 | O6 | 129.5° | 120.9° |
| N7 | C8 | N9 | 114.2° | 109.8° |
| N7 | C8 | H8 | 122.9° | 125.1° |
| N9 | C8 | H8 | 122.9° | 125.1° |
| C8 | N9 | C8' | 127.5° | 126.3° |
| N9 | C8' | C7' | 111.7° | 109.4° |
| N9 | C8' | H28' | 108.7° | 109.5° |
| N9 | C8' | H18' | 108.7° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 110.2° | 109.4° |
| N | CA | C2M | 105.8° | 109.5° |
| N | CA | C3' | 111.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| H2 | N | H | 109.5° | 111.0° |
| HA | CA | C2M | 113.1° | 109.5° |
| HA | CA | C3' | 107.2° | 109.4° |
| CA | C2M | H2MA | 109.5° | 109.5° |
| CA | C2M | H2M | 109.5° | 109.4° |
| C2M | CA | C3' | 108.9° | 109.5° |
| CA | C2M | H2MB | 109.5° | 109.4° |
| H2MA | C2M | H2M | 109.4° | 109.5° |
| H2MA | C2M | H2MB | 109.5° | 109.5° |
| H2M | C2M | H2MB | 109.5° | 109.5° |
| CA | C3' | H23' | 108.5° | 109.5° |
| CA | C3' | N4' | 112.5° | 109.5° |
| CA | C3' | H13' | 108.5° | 109.5° |
| H23' | C3' | N4' | 108.5° | 109.4° |
| H23' | C3' | H13' | 110.5° | 109.4° |
| C3' | N4' | C5' | 114.8° | 120.0° |
| C3' | N4' | C7' | 125.1° | 120.0° |
| N4' | C3' | H13' | 108.5° | 109.5° |
| N4' | C5' | H25' | 107.9° | 109.5° |
| C5' | N4' | C7' | 119.8° | 120.0° |
| N4' | C5' | H15' | 107.9° | 109.5° |
| H25' | C5' | H15' | 110.9° | 109.5° |
| N4' | C7' | O7' | 121.2° | 120.0° |
| N4' | C7' | C8' | 119.1° | 120.0° |
| O7' | C7' | C8' | 119.7° | 120.0° |
| C7' | C8' | H28' | 108.7° | 109.5° |
| C7' | C8' | H18' | 108.7° | 109.4° |
| H28' | C8' | H18' | 110.2° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5' | C | O | OXT | 180.0° | 179.6° |
| C | C5' | N4' | C3' | 93.3° | 90.1° |
| C | C5' | N4' | H25' | 120.0° | 119.9° |
| C | C5' | N4' | H15' | 120.0° | 120.0° |
| C | C5' | H25' | H15' | 118.1° | 120.0° |
| C | C5' | N4' | C7' | 81.1° | 89.9° |
| C5' | C | OXT | HXT | 180.0° | 179.9° |
| O | C | C5' | N4' | 173.4° | 0.1° |
| O | C | C5' | H25' | 53.4° | 120.0° |
| O | C | C5' | H15' | 66.6° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| OXT | C | C5' | N4' | 6.6° | 179.7° |
| OXT | C | C5' | H25' | 126.6° | 60.3° |
| OXT | C | C5' | H15' | 113.4° | 59.7° |
| N1 | C2 | N3 | N2 | 174.6° | 179.9° |
| N1 | C2 | N2 | HN2 | 175.2° | 0.0° |
| N1 | C2 | N3 | C4 | 0.0° | 0.1° |
| C2 | N1 | C6 | HN1 | 180.0° | 179.8° |
| C2 | N1 | C6 | C5 | 1.7° | 0.1° |
| C2 | N1 | C6 | O6 | 178.9° | 179.9° |
| N1 | C2 | N2 | HN2A | 4.8° | 180.0° |
| N3 | C2 | N2 | HN2 | 0.0° | 179.9° |
| C2 | N3 | C4 | N9 | 177.9° | 179.9° |
| C2 | N3 | C4 | C5 | 0.9° | 0.1° |
| N3 | C2 | N1 | C6 | 0.5° | 0.1° |
| N3 | C2 | N1 | HN1 | 179.5° | 179.7° |
| N3 | C2 | N2 | HN2A | 180.0° | 0.1° |
| C2 | N2 | HN2 | HN2A | 180.0° | 180.0° |
| N2 | C2 | N3 | C4 | 174.6° | 180.0° |
| N2 | C2 | N1 | C6 | 175.3° | 180.0° |
| N2 | C2 | N1 | HN1 | 4.8° | 0.2° |
| N3 | C4 | N9 | C5 | 179.0° | 180.0° |
| N3 | C4 | C5 | N7 | 176.8° | 180.0° |
| N3 | C4 | C5 | C6 | 2.2° | 0.0° |
| N3 | C4 | N9 | C8 | 175.5° | 180.0° |
| N3 | C4 | N9 | C8' | 2.8° | 0.1° |
| N9 | C4 | C5 | N7 | 4.2° | 0.0° |
| N9 | C4 | C5 | C6 | 176.8° | 180.0° |
| C4 | N9 | C8 | N7 | 5.3° | 0.0° |
| C4 | N9 | C8 | C8' | 178.3° | 179.9° |
| C4 | N9 | C8 | H8 | 174.7° | 180.0° |
| C4 | N9 | C8' | C7' | 107.4° | 85.1° |
| C4 | N9 | C8' | H28' | 132.6° | 34.9° |
| C4 | N9 | C8' | H18' | 12.6° | 155.0° |
| C4 | C5 | N7 | C6 | 178.8° | 179.9° |
| C4 | C5 | C6 | N1 | 2.4° | 0.0° |
| C4 | C5 | C6 | O6 | 178.3° | 180.0° |
| C4 | C5 | N7 | C8 | 1.0° | 0.0° |
| C5 | C4 | N9 | C8 | 5.5° | 0.0° |
| C5 | C4 | N9 | C8' | 176.2° | 180.0° |
| N7 | C5 | C6 | N1 | 176.4° | 179.9° |
| N7 | C5 | C6 | O6 | 3.0° | 0.1° |
| C5 | N7 | C8 | N9 | 2.7° | 0.0° |
| C5 | N7 | C8 | H8 | 177.4° | 180.0° |
| N1 | C6 | C5 | O6 | 179.3° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 179.9° |
| C5 | C6 | N1 | HN1 | 178.3° | 179.7° |
| O6 | C6 | N1 | HN1 | 1.1° | 0.3° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C8' | 176.4° | 179.9° |
| C8 | N9 | C8' | C7' | 70.6° | 95.0° |
| C8 | N9 | C8' | H28' | 49.4° | 145.0° |
| C8 | N9 | C8' | H18' | 169.4° | 24.9° |
| H8 | C8 | N9 | C8' | 3.6° | 0.1° |
| N9 | C8' | C7' | N4' | 175.0° | 180.0° |
| N9 | C8' | C7' | O7' | 6.9° | 0.0° |
| N9 | C8' | C7' | H28' | 120.0° | 120.0° |
| N9 | C8' | C7' | H18' | 120.0° | 120.0° |
| N9 | C8' | H28' | H18' | 119.1° | 120.1° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | HA | C2M | 118.1° | 120.0° |
| N | CA | HA | C3' | 121.9° | 120.0° |
| N | CA | C2M | C3' | 120.3° | 120.0° |
| N | CA | C2M | H2MA | 180.0° | 60.0° |
| N | CA | C2M | H2M | 60.0° | 60.0° |
| N | CA | C3' | H23' | 172.1° | 65.0° |
| N | CA | C3' | N4' | 68.0° | 54.9° |
| N | CA | C3' | H13' | 52.0° | 175.0° |
| N | CA | C2M | H2MB | 60.0° | 180.0° |
| H2 | N | CA | HA | 57.5° | 56.1° |
| H2 | N | CA | C2M | 180.0° | 63.9° |
| H2 | N | CA | C3' | 61.6° | 176.0° |
| HA | CA | C2M | C3' | 119.0° | 120.0° |
| HA | CA | C2M | H2MA | 59.3° | NaN° |
| HA | CA | C2M | H2M | 60.7° | 60.0° |
| HA | CA | C3' | H23' | 67.1° | 175.0° |
| HA | CA | C3' | N4' | 52.9° | 65.0° |
| HA | CA | N | H | 177.5° | 180.0° |
| HA | CA | C3' | H13' | 172.9° | 55.0° |
| HA | CA | C2M | H2MB | 179.3° | 60.0° |
| CA | C2M | H2MA | H2M | 120.0° | 120.0° |
| CA | C2M | H2MA | H2MB | 120.0° | 120.0° |
| CA | C2M | H2M | H2MB | 120.0° | 120.0° |
| C2M | CA | C3' | H23' | 55.6° | 55.0° |
| C2M | CA | C3' | N4' | 175.5° | 175.0° |
| C2M | CA | N | H | 60.0° | 60.0° |
| C2M | CA | C3' | H13' | 64.5° | 65.0° |
| H2MA | C2M | H2M | H2MB | 120.0° | 120.1° |
| H2MA | C2M | CA | C3' | 59.7° | 60.0° |
| H2M | C2M | CA | C3' | 179.7° | 180.0° |
| CA | C3' | H23' | N4' | 122.5° | 120.0° |
| CA | C3' | H23' | H13' | 118.8° | 120.0° |
| CA | C3' | N4' | H13' | 120.0° | 120.0° |
| CA | C3' | N4' | C5' | 71.4° | 90.0° |
| CA | C3' | N4' | C7' | 114.6° | 90.0° |
| C3' | CA | N | H | 58.4° | 60.0° |
| C3' | CA | C2M | H2MB | 60.3° | 60.0° |
| H23' | C3' | N4' | H13' | 120.0° | 119.9° |
| H23' | C3' | N4' | C5' | 48.6° | 150.0° |
| H23' | C3' | N4' | C7' | 125.4° | 30.0° |
| C3' | N4' | C5' | C7' | 174.4° | 180.0° |
| C3' | N4' | C5' | H25' | 26.7° | 150.0° |
| C3' | N4' | C7' | O7' | 172.7° | 0.0° |
| C3' | N4' | C7' | C8' | 5.4° | 180.0° |
| C3' | N4' | C5' | H15' | 146.7° | 30.0° |
| N4' | C5' | H25' | H15' | 118.0° | 120.1° |
| C5' | N4' | C7' | O7' | 1.1° | 180.0° |
| C5' | N4' | C7' | C8' | 179.2° | 0.0° |
| C5' | N4' | C3' | H13' | 168.6° | 30.0° |
| H25' | C5' | N4' | C7' | 158.9° | 30.0° |
| N4' | C7' | O7' | C8' | 178.1° | 180.0° |
| N4' | C7' | C8' | H28' | 54.9° | 60.0° |
| N4' | C7' | C8' | H18' | 65.0° | 60.0° |
| C7' | N4' | C3' | H13' | 5.4° | 150.0° |
| C7' | N4' | C5' | H15' | 39.0° | 150.0° |
| O7' | C7' | C8' | H28' | 126.9° | 120.0° |
| O7' | C7' | C8' | H18' | 113.1° | 120.0° |
| C7' | C8' | H28' | H18' | 119.0° | 120.0° |
