40T
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 | C8' | sing | 1.46Å | 1.49Å | |
| N1 | C6 | sing | 1.37Å | 1.37Å | |
| C2 | N1 | sing | 1.34Å | 1.40Å | |
| O2 | C2 | doub | 1.22Å | 1.22Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | |
| N3 | C4 | sing | 1.35Å | 1.35Å | |
| C4 | C5 | sing | 1.42Å | 1.46Å | |
| O4 | C4 | doub | 1.22Å | 1.22Å | |
| C5 | C6 | doub | 1.35Å | 1.36Å | |
| C5 | C7 | sing | 1.51Å | 1.52Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7B | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | C2M | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C2M | H2MB | sing | 1.09Å | 1.10Å | |
| C3' | CA | sing | 1.53Å | 1.53Å | |
| N4' | C3' | sing | 1.47Å | 1.47Å | |
| N4' | C5' | sing | 1.47Å | 1.47Å | |
| C5' | H15' | sing | 1.09Å | 1.10Å | |
| C5' | H25' | sing | 1.09Å | 1.10Å | |
| C7' | N4' | sing | 1.35Å | 1.35Å | |
| O7' | C7' | doub | 1.21Å | 1.23Å | |
| C8' | C7' | sing | 1.51Å | 1.52Å | |
| C8' | HXT' | sing | 1.09Å | 1.10Å | |
| HN3 | N3 | sing | 0.97Å | 1.00Å | |
| H | N | sing | 1.01Å | 1.00Å | |
| H13' | C3' | sing | 1.09Å | 1.10Å | |
| H23' | C3' | sing | 1.09Å | 1.10Å | |
| H7 | C7 | sing | 1.09Å | 1.10Å | |
| H7A | C7 | sing | 1.09Å | 1.10Å | |
| H28' | C8' | sing | 1.09Å | 1.10Å | |
| H2M | C2M | sing | 1.09Å | 1.10Å | |
| H2MA | 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' | 118.0° | 120.0° |
| O | C | OXT | 121.0° | 120.0° |
| C5' | C | OXT | 121.1° | 120.0° |
| C | C5' | N4' | 116.5° | 109.5° |
| C | C5' | H15' | 107.2° | 109.5° |
| C | C5' | H25' | 107.2° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| C8' | N1 | C6 | 119.5° | 119.6° |
| C8' | N1 | C2 | 119.4° | 119.7° |
| N1 | C8' | C7' | 113.3° | 109.5° |
| N1 | C8' | HXT' | 108.2° | 109.5° |
| N1 | C8' | H28' | 108.2° | 109.5° |
| C6 | N1 | C2 | 121.1° | 120.6° |
| N1 | C6 | C5 | 120.1° | 119.7° |
| N1 | C6 | H6 | 119.9° | 120.2° |
| N1 | C2 | O2 | 124.3° | 119.5° |
| N1 | C2 | N3 | 117.3° | 121.0° |
| O2 | C2 | N3 | 118.4° | 119.5° |
| C2 | N3 | C4 | 125.4° | 120.3° |
| C2 | N3 | HN3 | 117.3° | 119.8° |
| N3 | C4 | C5 | 115.6° | 119.4° |
| N3 | C4 | O4 | 117.1° | 120.3° |
| C4 | N3 | HN3 | 117.3° | 119.9° |
| C5 | C4 | O4 | 127.3° | 120.3° |
| C4 | C5 | C6 | 120.3° | 119.1° |
| C4 | C5 | C7 | 121.1° | 120.4° |
| C6 | C5 | C7 | 118.5° | 120.5° |
| C5 | C6 | H6 | 120.0° | 120.1° |
| C5 | C7 | H7B | 109.5° | 109.5° |
| C5 | C7 | H7 | 109.4° | 109.5° |
| C5 | C7 | H7A | 109.5° | 109.5° |
| H7B | C7 | H7 | 109.5° | 109.5° |
| H7B | C7 | H7A | 109.5° | 109.5° |
| H2 | N | CA | 109.5° | 111.0° |
| H2 | N | H | 109.5° | 111.0° |
| N | CA | C2M | 106.7° | 109.4° |
| N | CA | HA | 109.1° | 109.5° |
| N | CA | C3' | 112.6° | 109.5° |
| CA | N | H | 109.4° | 111.1° |
| C2M | CA | HA | 112.6° | 109.5° |
| CA | C2M | H2MB | 109.5° | 109.5° |
| C2M | CA | C3' | 109.2° | 109.5° |
| CA | C2M | H2M | 109.5° | 109.4° |
| CA | C2M | H2MA | 109.5° | 109.5° |
| HA | CA | C3' | 106.7° | 109.5° |
| H2MB | C2M | H2M | 109.5° | 109.5° |
| H2MB | C2M | H2MA | 109.5° | 109.5° |
| CA | C3' | N4' | 113.7° | 109.5° |
| CA | C3' | H13' | 108.1° | 109.5° |
| CA | C3' | H23' | 108.1° | 109.5° |
| C3' | N4' | C5' | 114.6° | 120.0° |
| C3' | N4' | C7' | 124.9° | 120.0° |
| N4' | C3' | H13' | 108.1° | 109.5° |
| N4' | C3' | H23' | 108.1° | 109.5° |
| N4' | C5' | H15' | 107.2° | 109.5° |
| N4' | C5' | H25' | 107.2° | 109.5° |
| C5' | N4' | C7' | 120.4° | 120.0° |
| H15' | C5' | H25' | 111.7° | 109.5° |
| N4' | C7' | O7' | 121.5° | 120.0° |
| N4' | C7' | C8' | 118.9° | 120.0° |
| O7' | C7' | C8' | 119.7° | 120.0° |
| C7' | C8' | HXT' | 108.2° | 109.5° |
| C7' | C8' | H28' | 108.2° | 109.5° |
| HXT' | C8' | H28' | 110.7° | 109.5° |
| H13' | C3' | H23' | 110.8° | 109.5° |
| H7 | C7 | H7A | 109.5° | 109.4° |
| H2M | C2M | H2MA | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C5' | OXT | 180.0° | 179.7° |
| O | C | C5' | N4' | 165.3° | 0.0° |
| O | C | C5' | H15' | 74.8° | 120.0° |
| O | C | C5' | H25' | 45.3° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C5' | N4' | C3' | 98.7° | 90.0° |
| C | C5' | N4' | H15' | 120.0° | 120.0° |
| C | C5' | N4' | H25' | 120.0° | 120.0° |
| C | C5' | H15' | H25' | 117.1° | 120.0° |
| C | C5' | N4' | C7' | 82.8° | 90.0° |
| C5' | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | C5' | N4' | 14.7° | 179.7° |
| OXT | C | C5' | H15' | 105.2° | 59.7° |
| OXT | C | C5' | H25' | 134.7° | 60.3° |
| C8' | N1 | C6 | C2 | 179.0° | 179.7° |
| C8' | N1 | C2 | O2 | 2.1° | 0.0° |
| C8' | N1 | C2 | N3 | 177.4° | 179.9° |
| C8' | N1 | C6 | C5 | 179.6° | 179.7° |
| C8' | N1 | C6 | H6 | 0.4° | 0.1° |
| N1 | C8' | C7' | N4' | 177.4° | 180.0° |
| N1 | C8' | C7' | O7' | 2.9° | 0.0° |
| N1 | C8' | C7' | HXT' | 120.0° | 120.0° |
| N1 | C8' | C7' | H28' | 120.0° | 120.0° |
| N1 | C8' | HXT' | H28' | 118.4° | 120.0° |
| C6 | N1 | C2 | O2 | 176.9° | 179.7° |
| C6 | N1 | C2 | N3 | 3.6° | 0.2° |
| N1 | C6 | C5 | C4 | 0.9° | 0.6° |
| N1 | C6 | C5 | H6 | 180.0° | 179.6° |
| N1 | C6 | C5 | C7 | 179.7° | 179.7° |
| C6 | N1 | C8' | C7' | 89.5° | 90.0° |
| C6 | N1 | C8' | HXT' | 30.5° | 150.0° |
| C6 | N1 | C8' | H28' | 150.5° | 30.0° |
| N1 | C2 | O2 | N3 | 179.5° | 179.9° |
| N1 | C2 | N3 | C4 | 3.8° | 0.1° |
| C2 | N1 | C6 | C5 | 1.4° | 0.5° |
| C2 | N1 | C6 | H6 | 178.6° | 179.8° |
| C2 | N1 | C8' | C7' | 89.5° | 89.8° |
| C2 | N1 | C8' | HXT' | 150.5° | 30.2° |
| N1 | C2 | N3 | HN3 | 176.2° | 180.0° |
| C2 | N1 | C8' | H28' | 30.5° | 150.2° |
| O2 | C2 | N3 | C4 | 176.7° | 180.0° |
| O2 | C2 | N3 | HN3 | 3.3° | 0.1° |
| C2 | N3 | C4 | HN3 | 180.0° | 179.9° |
| C2 | N3 | C4 | C5 | 1.7° | 0.0° |
| C2 | N3 | C4 | O4 | 179.0° | 180.0° |
| N3 | C4 | C5 | O4 | 179.3° | 180.0° |
| N3 | C4 | C5 | C6 | 0.8° | 0.3° |
| N3 | C4 | C5 | C7 | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 178.9° | 179.7° |
| C4 | C5 | C6 | H6 | 179.1° | 179.8° |
| C4 | C5 | C7 | H7B | 180.0° | 0.0° |
| C5 | C4 | N3 | HN3 | 178.4° | 179.9° |
| C4 | C5 | C7 | H7 | 60.0° | 120.0° |
| C4 | C5 | C7 | H7A | 60.0° | 120.1° |
| O4 | C4 | C5 | C6 | 178.5° | 179.7° |
| O4 | C4 | C5 | C7 | 0.3° | 0.0° |
| O4 | C4 | N3 | HN3 | 1.0° | 0.0° |
| C6 | C5 | C7 | H7B | 1.1° | 179.7° |
| C6 | C5 | C7 | H7 | 121.1° | 59.6° |
| C6 | C5 | C7 | H7A | 118.9° | 60.3° |
| C7 | C5 | C6 | H6 | 0.2° | 0.1° |
| C5 | C7 | H7B | H7 | 120.0° | 120.0° |
| C5 | C7 | H7B | H7A | 120.0° | 120.0° |
| C5 | C7 | H7 | H7A | 120.0° | 120.0° |
| H7B | C7 | H7 | H7A | 120.0° | 120.0° |
| H2 | N | CA | H | 120.0° | 124.0° |
| H2 | N | CA | C2M | 180.0° | 64.0° |
| H2 | N | CA | HA | 58.1° | 55.9° |
| H2 | N | CA | C3' | 60.2° | 176.0° |
| N | CA | C2M | HA | 119.7° | 120.0° |
| N | CA | C2M | C3' | 122.0° | 120.0° |
| N | CA | HA | C3' | 121.9° | 120.0° |
| N | CA | C2M | H2MB | 180.0° | 60.0° |
| N | CA | C3' | N4' | 56.8° | 55.0° |
| N | CA | C3' | H13' | 176.8° | 175.0° |
| N | CA | C3' | H23' | 63.2° | 65.0° |
| N | CA | C2M | H2M | 60.0° | 180.0° |
| N | CA | C2M | H2MA | 60.0° | 60.0° |
| C2M | CA | HA | C3' | 119.8° | 120.0° |
| CA | C2M | H2MB | H2M | 120.0° | 120.0° |
| CA | C2M | H2MB | H2MA | 120.0° | 120.0° |
| C2M | CA | C3' | N4' | 175.2° | 175.0° |
| C2M | CA | N | H | 60.0° | 60.0° |
| C2M | CA | C3' | H13' | 64.8° | 65.1° |
| C2M | CA | C3' | H23' | 55.2° | 55.0° |
| CA | C2M | H2M | H2MA | 120.0° | 120.0° |
| HA | CA | C2M | H2MB | 60.3° | 180.0° |
| HA | CA | C3' | N4' | 62.9° | 65.0° |
| HA | CA | N | H | 178.1° | 180.0° |
| HA | CA | C3' | H13' | 57.1° | 55.0° |
| HA | CA | C3' | H23' | 177.1° | 175.0° |
| HA | CA | C2M | H2M | 59.7° | 60.0° |
| HA | CA | C2M | H2MA | 179.7° | 60.0° |
| H2MB | C2M | CA | C3' | 58.0° | 60.0° |
| H2MB | C2M | H2M | H2MA | 120.0° | 120.0° |
| CA | C3' | N4' | H13' | 120.0° | 120.0° |
| CA | C3' | N4' | H23' | 120.0° | 120.0° |
| CA | C3' | N4' | C5' | 70.7° | 90.0° |
| CA | C3' | N4' | C7' | 107.7° | 90.0° |
| C3' | CA | N | H | 59.9° | 60.0° |
| CA | C3' | H13' | H23' | 118.3° | 120.0° |
| C3' | CA | C2M | H2M | 178.0° | 60.0° |
| C3' | CA | C2M | H2MA | 62.0° | 180.0° |
| C3' | N4' | C5' | C7' | 178.5° | 179.9° |
| C3' | N4' | C5' | H15' | 21.3° | 30.0° |
| C3' | N4' | C5' | H25' | 141.3° | 150.0° |
| C3' | N4' | C7' | O7' | 175.6° | 0.0° |
| C3' | N4' | C7' | C8' | 4.7° | 180.0° |
| N4' | C3' | H13' | H23' | 118.3° | 120.0° |
| N4' | C5' | H15' | H25' | 117.1° | 120.0° |
| C5' | N4' | C7' | O7' | 6.1° | 180.0° |
| C5' | N4' | C7' | C8' | 173.6° | 0.0° |
| C5' | N4' | C3' | H13' | 49.3° | 30.0° |
| C5' | N4' | C3' | H23' | 169.3° | 149.9° |
| H15' | C5' | N4' | C7' | 157.2° | 150.0° |
| H25' | C5' | N4' | C7' | 37.2° | 30.0° |
| N4' | C7' | O7' | C8' | 179.7° | 180.0° |
| N4' | C7' | C8' | HXT' | 62.6° | 60.0° |
| C7' | N4' | C3' | H13' | 132.3° | 150.0° |
| C7' | N4' | C3' | H23' | 12.3° | 30.0° |
| N4' | C7' | C8' | H28' | 57.4° | 60.0° |
| O7' | C7' | C8' | HXT' | 117.1° | 120.0° |
| O7' | C7' | C8' | H28' | 122.9° | 120.0° |
| C7' | C8' | HXT' | H28' | 118.4° | 120.0° |
