A3T
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.36Å | |
| C | N8 | sing | 1.35Å | 1.33Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| N | CA | sing | 1.47Å | 1.47Å | |
| N1 | C2 | doub | 1.32Å | 1.32Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.34Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.32Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.34Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5 | C6 | doub | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.33Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.33Å | |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.33Å | Aromatic |
| N8 | C3' | sing | 1.47Å | 1.47Å | |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | OG | sing | 1.43Å | 1.43Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| C1' | C2' | sing | 1.55Å | 1.53Å | |
| C1' | O4' | sing | 1.44Å | 1.44Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.53Å | |
| C5' | O5' | sing | 1.43Å | 1.43Å | |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N6 | HN6 | sing | 0.97Å | 1.00Å | |
| N6 | HN6A | sing | 0.97Å | 1.00Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| N8 | HN8 | sing | 0.97Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| OG | HOG | sing | 0.97Å | 0.95Å | |
| C1' | H1' | sing | 1.09Å | 1.10Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| O2' | HO2' | sing | 0.97Å | 0.95Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| O5' | HO5' | sing | 0.97Å | 0.95Å | |
| CG2 | HG2 | sing | 1.09Å | 1.10Å | |
| CG2 | HG2A | sing | 1.09Å | 1.10Å | |
| CG2 | HG2B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | N8 | 124.5° | 120.0° |
| O | C | CA | 118.2° | 120.0° |
| N8 | C | CA | 117.3° | 120.0° |
| C | N8 | C3' | 123.8° | 120.0° |
| C | N8 | HN8 | 118.1° | 120.0° |
| C | CA | N | 108.8° | 109.5° |
| C | CA | CB | 110.8° | 109.5° |
| C | CA | HA | 109.1° | 109.5° |
| N | CA | CB | 109.4° | 109.5° |
| CA | N | HN | 109.5° | 111.0° |
| CA | N | HNA | 109.5° | 111.0° |
| N | CA | HA | 110.4° | 109.5° |
| C2 | N1 | C6 | 120.9° | 121.2° |
| N1 | C2 | N3 | 121.9° | 122.5° |
| N1 | C2 | H2 | 119.1° | 118.7° |
| N1 | C6 | C5 | 118.9° | 118.4° |
| N1 | C6 | N6 | 120.7° | 120.8° |
| C2 | N3 | C4 | 120.6° | 120.6° |
| N3 | C2 | H2 | 119.1° | 118.8° |
| N3 | C4 | C5 | 119.1° | 119.1° |
| N3 | C4 | N9 | 133.9° | 134.9° |
| C5 | C4 | N9 | 107.0° | 106.0° |
| C4 | C5 | C6 | 118.6° | 118.2° |
| C4 | C5 | N7 | 107.5° | 107.1° |
| C4 | N9 | C8 | 108.0° | 107.5° |
| C4 | N9 | C1' | 127.0° | 126.3° |
| C6 | C5 | N7 | 133.9° | 134.7° |
| C5 | C6 | N6 | 120.3° | 120.8° |
| C5 | N7 | C8 | 107.7° | 109.5° |
| C6 | N6 | HN6 | 109.5° | 120.0° |
| C6 | N6 | HN6A | 109.5° | 120.0° |
| N7 | C8 | N9 | 109.8° | 109.9° |
| N7 | C8 | H8 | 125.1° | 125.1° |
| C8 | N9 | C1' | 124.8° | 126.2° |
| N9 | C8 | H8 | 125.1° | 125.0° |
| N8 | C3' | C2' | 111.2° | 110.5° |
| N8 | C3' | C4' | 109.4° | 110.5° |
| C3' | N8 | HN8 | 118.1° | 120.0° |
| N8 | C3' | H3' | 106.2° | 110.4° |
| N9 | C1' | C2' | 113.8° | 110.6° |
| N9 | C1' | O4' | 108.5° | 110.7° |
| N9 | C1' | H1' | 106.0° | 110.5° |
| CA | CB | OG | 108.5° | 109.5° |
| CA | CB | CG2 | 111.7° | 109.5° |
| CB | CA | HA | 108.4° | 109.4° |
| CA | CB | HB | 109.3° | 109.5° |
| OG | CB | CG2 | 111.3° | 109.5° |
| OG | CB | HB | 109.7° | 109.5° |
| CB | OG | HOG | 109.5° | 114.1° |
| CG2 | CB | HB | 106.3° | 109.4° |
| CB | CG2 | HG2 | 109.5° | 109.4° |
| CB | CG2 | HG2A | 109.5° | 109.5° |
| CB | CG2 | HG2B | 109.4° | 109.5° |
| C2' | C1' | O4' | 105.4° | 103.5° |
| C1' | C2' | O2' | 109.3° | 110.9° |
| C1' | C2' | C3' | 100.6° | 102.1° |
| C2' | C1' | H1' | 109.1° | 110.6° |
| C1' | C2' | H2' | 115.2° | 110.9° |
| C1' | O4' | C4' | 109.0° | 107.0° |
| O4' | C1' | H1' | 114.3° | 110.8° |
| O2' | C2' | C3' | 109.6° | 110.9° |
| O2' | C2' | H2' | 107.1° | 110.8° |
| C2' | O2' | HO2' | 109.5° | 114.0° |
| C2' | C3' | C4' | 102.0° | 104.2° |
| C3' | C2' | H2' | 114.9° | 111.0° |
| C2' | C3' | H3' | 113.1° | 110.5° |
| C3' | C4' | O4' | 106.8° | 107.3° |
| C3' | C4' | C5' | 109.2° | 109.9° |
| C4' | C3' | H3' | 114.9° | 110.6° |
| C3' | C4' | H4' | 111.9° | 109.9° |
| O4' | C4' | C5' | 110.9° | 109.9° |
| O4' | C4' | H4' | 110.2° | 109.9° |
| C4' | C5' | O5' | 109.9° | 109.5° |
| C5' | C4' | H4' | 107.9° | 110.0° |
| C4' | C5' | H5' | 109.3° | 109.5° |
| C4' | C5' | H5'A | 109.4° | 109.5° |
| O5' | C5' | H5' | 109.4° | 109.5° |
| O5' | C5' | H5'A | 109.3° | 109.5° |
| C5' | O5' | HO5' | 109.5° | 114.0° |
| HN | N | HNA | 109.5° | 111.0° |
| HN6 | N6 | HN6A | 109.5° | 119.9° |
| H5' | C5' | H5'A | 109.6° | 109.5° |
| HG2 | CG2 | HG2A | 109.4° | 109.5° |
| HG2 | CG2 | HG2B | 109.5° | 109.5° |
| HG2A | CG2 | HG2B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | N8 | CA | 179.6° | 179.8° |
| O | C | CA | N | 40.1° | 20.1° |
| O | C | N8 | C3' | 0.5° | 0.1° |
| O | C | CA | CB | 80.2° | 100.0° |
| O | C | N8 | HN8 | 179.5° | 179.9° |
| O | C | CA | HA | 160.6° | 140.1° |
| N8 | C | CA | N | 139.5° | 159.7° |
| C | N8 | C3' | HN8 | 180.0° | 180.0° |
| N8 | C | CA | CB | 100.2° | 80.2° |
| C | N8 | C3' | C2' | 93.3° | 155.0° |
| C | N8 | C3' | C4' | 154.8° | 90.3° |
| N8 | C | CA | HA | 19.1° | 39.7° |
| C | N8 | C3' | H3' | 30.3° | 32.4° |
| C | CA | N | CB | 121.2° | 120.0° |
| C | CA | N | HA | 119.6° | 120.0° |
| CA | C | N8 | C3' | 179.1° | 179.7° |
| C | CA | CB | HA | 119.6° | 120.0° |
| C | CA | CB | OG | 169.6° | 55.1° |
| C | CA | CB | CG2 | 46.5° | 175.1° |
| C | CA | N | HN | 180.0° | 63.9° |
| C | CA | N | HNA | 60.0° | 60.0° |
| CA | C | N8 | HN8 | 0.9° | 0.3° |
| C | CA | CB | HB | 70.8° | 65.0° |
| N | CA | CB | HA | 120.4° | 120.0° |
| N | CA | CB | OG | 70.4° | 65.0° |
| N | CA | CB | CG2 | 166.5° | 55.0° |
| CA | N | HN | HNA | 120.0° | 123.9° |
| N | CA | CB | HB | 49.1° | 175.0° |
| N1 | C2 | N3 | H2 | 180.0° | 179.9° |
| N1 | C2 | N3 | C4 | 0.2° | 0.1° |
| C2 | N1 | C6 | C5 | 0.1° | 0.0° |
| C2 | N1 | C6 | N6 | 178.8° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | C4 | 0.4° | 0.0° |
| N1 | C6 | C5 | N6 | 178.9° | 180.0° |
| N1 | C6 | C5 | N7 | 179.6° | 179.9° |
| C6 | N1 | C2 | H2 | 179.8° | 180.0° |
| N1 | C6 | N6 | HN6 | 0.0° | 0.0° |
| N1 | C6 | N6 | HN6A | 120.0° | 179.9° |
| C2 | N3 | C4 | C5 | 0.1° | 0.1° |
| C2 | N3 | C4 | N9 | 179.8° | 179.9° |
| N3 | C4 | C5 | N9 | 179.9° | 179.9° |
| N3 | C4 | C5 | C6 | 0.4° | 0.1° |
| N3 | C4 | C5 | N7 | 179.6° | 180.0° |
| N3 | C4 | N9 | C8 | 179.4° | 180.0° |
| N3 | C4 | N9 | C1' | 5.7° | 0.1° |
| C4 | N3 | C2 | H2 | 179.8° | 179.9° |
| C4 | C5 | C6 | N7 | 180.0° | 179.9° |
| C4 | C5 | C6 | N6 | 178.5° | 180.0° |
| C4 | C5 | N7 | C8 | 0.1° | 0.0° |
| C5 | C4 | N9 | C8 | 0.7° | 0.0° |
| C5 | C4 | N9 | C1' | 174.2° | 180.0° |
| N9 | C4 | C5 | C6 | 179.5° | 180.0° |
| N9 | C4 | C5 | N7 | 0.5° | 0.0° |
| C4 | N9 | C8 | N7 | 0.6° | 0.0° |
| C4 | N9 | C8 | C1' | 175.0° | 180.0° |
| C4 | N9 | C1' | C2' | 44.3° | 85.0° |
| C4 | N9 | C1' | O4' | 161.2° | 160.9° |
| C4 | N9 | C8 | H8 | 179.4° | 180.0° |
| C4 | N9 | C1' | H1' | 75.6° | 37.8° |
| C6 | C5 | N7 | C8 | 179.9° | 179.9° |
| C5 | C6 | N6 | HN6 | 178.9° | 180.0° |
| C5 | C6 | N6 | HN6A | 58.9° | 0.1° |
| N7 | C5 | C6 | N6 | 1.5° | 0.1° |
| C5 | N7 | C8 | N9 | 0.3° | 0.0° |
| C5 | N7 | C8 | H8 | 179.7° | 180.0° |
| C6 | N6 | HN6 | HN6A | 120.0° | 180.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 174.4° | 180.0° |
| C8 | N9 | C1' | C2' | 141.7° | 95.0° |
| C8 | N9 | C1' | O4' | 24.7° | 19.1° |
| C8 | N9 | C1' | H1' | 98.5° | 142.1° |
| N8 | C3' | C2' | C1' | 154.8° | 97.8° |
| N8 | C3' | C2' | O2' | 39.8° | 20.4° |
| N8 | C3' | C2' | C4' | 116.6° | 118.7° |
| N8 | C3' | C2' | H3' | 119.5° | 122.6° |
| N8 | C3' | C4' | H3' | 119.3° | 122.6° |
| N8 | C3' | C4' | O4' | 144.8° | 120.7° |
| N8 | C3' | C4' | C5' | 95.2° | 119.9° |
| N8 | C3' | C2' | H2' | 80.8° | 144.0° |
| N8 | C3' | C4' | H4' | 24.2° | 1.3° |
| N9 | C1' | C2' | O4' | 118.7° | 118.5° |
| N9 | C1' | C2' | H1' | 118.1° | 122.8° |
| N9 | C1' | O4' | H1' | 118.0° | 122.9° |
| N9 | C1' | C2' | O2' | 163.6° | 86.2° |
| N9 | C1' | C2' | C3' | 81.2° | 155.6° |
| N9 | C1' | O4' | C4' | 100.6° | 158.6° |
| C1' | N9 | C8 | H8 | 5.6° | 0.0° |
| N9 | C1' | C2' | H2' | 43.0° | 37.3° |
| CA | CB | OG | CG2 | 123.3° | 120.0° |
| CA | CB | OG | HB | 119.3° | 120.1° |
| CA | CB | CG2 | HB | 119.1° | 120.0° |
| CB | CA | N | HN | 58.8° | 176.1° |
| CB | CA | N | HNA | 178.8° | 60.0° |
| CA | CB | OG | HOG | 180.0° | 60.0° |
| CA | CB | CG2 | HG2 | 180.0° | 60.0° |
| CA | CB | CG2 | HG2A | 60.0° | 180.0° |
| CA | CB | CG2 | HG2B | 60.0° | 60.0° |
| OG | CB | CG2 | HB | 119.4° | 120.0° |
| OG | CB | CA | HA | 50.0° | 175.0° |
| OG | CB | CG2 | HG2 | 58.5° | 60.0° |
| OG | CB | CG2 | HG2A | 178.5° | 60.0° |
| OG | CB | CG2 | HG2B | 61.5° | 180.0° |
| CG2 | CB | CA | HA | 73.1° | 65.0° |
| CG2 | CB | OG | HOG | 56.7° | 60.0° |
| CB | CG2 | HG2 | HG2A | 120.0° | 120.0° |
| CB | CG2 | HG2 | HG2B | 120.0° | 120.0° |
| CB | CG2 | HG2A | HG2B | 120.0° | 120.1° |
| C2' | C1' | O4' | H1' | 119.8° | 118.6° |
| C1' | C2' | O2' | C3' | 109.3° | 112.7° |
| C1' | C2' | O2' | H2' | 125.4° | 123.6° |
| C1' | C2' | C3' | H2' | 124.4° | 118.2° |
| C1' | C2' | C3' | C4' | 38.2° | 20.9° |
| C2' | C1' | O4' | C4' | 21.6° | 40.1° |
| C1' | C2' | O2' | HO2' | 180.0° | 61.5° |
| C1' | C2' | C3' | H3' | 85.7° | 139.7° |
| O4' | C1' | C2' | O2' | 77.7° | 155.2° |
| O4' | C1' | C2' | C3' | 37.5° | 37.0° |
| C1' | O4' | C4' | C3' | 3.5° | 26.5° |
| C1' | O4' | C4' | C5' | 122.3° | 145.9° |
| O4' | C1' | C2' | H2' | 161.7° | 81.2° |
| C1' | O4' | C4' | H4' | 118.3° | 92.9° |
| O2' | C2' | C3' | H2' | 120.6° | 123.6° |
| O2' | C2' | C3' | C4' | 76.8° | 139.1° |
| O2' | C2' | C1' | H1' | 45.5° | 36.6° |
| O2' | C2' | C3' | H3' | 159.3° | 102.1° |
| C2' | C3' | C4' | H3' | 122.8° | 118.7° |
| C2' | C3' | C4' | O4' | 27.0° | 2.0° |
| C2' | C3' | C4' | C5' | 146.9° | 121.4° |
| C2' | C3' | N8 | HN8 | 86.8° | 25.0° |
| C3' | C2' | C1' | H1' | 160.7° | 81.6° |
| C3' | C2' | O2' | HO2' | 70.7° | 174.2° |
| C2' | C3' | C4' | H4' | 93.7° | 117.4° |
| C3' | C4' | O4' | C5' | 118.8° | 119.4° |
| C3' | C4' | O4' | H4' | 121.8° | 119.4° |
| C3' | C4' | C5' | H4' | 121.9° | 121.1° |
| C3' | C4' | C5' | O5' | 53.8° | 175.0° |
| C4' | C3' | N8 | HN8 | 25.2° | 89.8° |
| C4' | C3' | C2' | H2' | 162.7° | 97.3° |
| C3' | C4' | C5' | H5' | 173.8° | 55.0° |
| C3' | C4' | C5' | H5'A | 66.2° | 65.0° |
| O4' | C4' | C5' | H4' | 120.8° | 121.1° |
| O4' | C4' | C5' | O5' | 63.6° | 67.2° |
| C4' | O4' | C1' | H1' | 141.4° | 78.5° |
| O4' | C4' | C3' | H3' | 95.8° | 116.7° |
| O4' | C4' | C5' | H5' | 56.5° | 172.8° |
| O4' | C4' | C5' | H5'A | 176.4° | 52.9° |
| C4' | C5' | O5' | H5' | 120.0° | 120.0° |
| C4' | C5' | O5' | H5'A | 120.0° | 120.0° |
| C5' | C4' | C3' | H3' | 24.1° | 2.7° |
| C4' | C5' | H5' | H5'A | 119.8° | 120.0° |
| C4' | C5' | O5' | HO5' | 180.0° | 180.0° |
| O5' | C5' | C4' | H4' | 175.7° | 53.9° |
| O5' | C5' | H5' | H5'A | 119.8° | 120.0° |
| HN | N | CA | HA | 60.4° | 56.1° |
| HNA | N | CA | HA | 59.6° | 180.0° |
| HN8 | N8 | C3' | H3' | 149.7° | 147.6° |
| HA | CA | CB | HB | 169.5° | 55.0° |
| HB | CB | OG | HOG | 60.7° | 179.9° |
| HB | CB | CG2 | HG2 | 60.9° | 180.0° |
| HB | CB | CG2 | HG2A | 59.1° | 60.0° |
| HB | CB | CG2 | HG2B | 179.1° | 60.1° |
| H1' | C1' | C2' | H2' | 75.1° | 160.1° |
| H2' | C2' | O2' | HO2' | 54.6° | 62.1° |
| H2' | C2' | C3' | H3' | 38.7° | 21.4° |
| H3' | C3' | C4' | H4' | 143.5° | 123.8° |
| H4' | C4' | C5' | H5' | 64.3° | 66.1° |
| H4' | C4' | C5' | H5'A | 55.6° | 173.9° |
| H5' | C5' | O5' | HO5' | 60.0° | 60.0° |
| H5'A | C5' | O5' | HO5' | 60.0° | 60.0° |
| HG2 | CG2 | HG2A | HG2B | 120.0° | 120.0° |
