6AT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CAA | S2 | sing | 1.81Å | 1.78Å | |
| S2 | C2 | sing | 1.76Å | 1.79Å | |
| N1 | C2 | doub | 1.33Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.35Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.33Å | |
| C6 | C5 | doub | 1.41Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.36Å | 1.33Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.33Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.33Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.50Å | |
| O4' | C1' | sing | 1.44Å | 1.45Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| C4' | C5' | sing | 1.53Å | 1.54Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O5' | C5' | sing | 1.43Å | 1.43Å | |
| O5' | PBF | sing | 1.61Å | 1.61Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| C2' | C3' | sing | 1.54Å | 1.51Å | |
| OAD | PBF | doub | 1.48Å | 1.48Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| PBF | OAT | sing | 1.61Å | 1.62Å | |
| PBF | OAJ | sing | 1.61Å | 1.61Å | |
| OAK | PBG | doub | 1.48Å | 1.60Å | |
| OAT | PBG | sing | 1.61Å | 1.62Å | |
| PBG | OAE | sing | 1.61Å | 1.48Å | |
| PBG | OAS | sing | 1.61Å | 1.61Å | |
| OAS | PBE | sing | 1.61Å | 1.61Å | |
| OAH | PBE | doub | 1.48Å | 1.48Å | |
| PBE | OAC | sing | 1.61Å | 1.48Å | |
| PBE | OAI | sing | 1.61Å | 1.62Å | |
| OAI | H1 | sing | 0.97Å | 0.95Å | |
| OAC | H2 | sing | 0.97Å | 0.95Å | |
| OAE | H3 | sing | 0.97Å | 0.95Å | |
| OAJ | H4 | sing | 0.97Å | 0.95Å | |
| C5' | H5 | sing | 1.09Å | 1.10Å | |
| C5' | H6 | sing | 1.09Å | 1.10Å | |
| C4' | H7 | sing | 1.09Å | 1.10Å | |
| C3' | H8 | sing | 1.09Å | 1.10Å | |
| O3' | H9 | sing | 0.97Å | 0.95Å | |
| C2' | H10 | sing | 1.09Å | 1.10Å | |
| O2' | H11 | sing | 0.97Å | 0.95Å | |
| C1' | H12 | sing | 1.09Å | 1.10Å | |
| C8 | H13 | sing | 1.08Å | 1.08Å | |
| CAA | H14 | sing | 1.09Å | 1.10Å | |
| CAA | H15 | sing | 1.09Å | 1.10Å | |
| CAA | H16 | sing | 1.09Å | 1.10Å | |
| N6 | H17 | sing | 0.97Å | 1.00Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CAA | S2 | C2 | 103.1° | 100.0° |
| S2 | CAA | H14 | 109.5° | 109.4° |
| S2 | CAA | H15 | 109.5° | 109.4° |
| S2 | CAA | H16 | 109.5° | 109.5° |
| S2 | C2 | N1 | 121.7° | 118.9° |
| S2 | C2 | N3 | 119.1° | 118.9° |
| C2 | N1 | C6 | 119.8° | 121.2° |
| N1 | C2 | N3 | 119.2° | 122.2° |
| N1 | C6 | N6 | 121.9° | 120.7° |
| N1 | C6 | C5 | 120.9° | 118.6° |
| C2 | N3 | C4 | 120.5° | 120.6° |
| N6 | C6 | C5 | 117.2° | 120.7° |
| C6 | N6 | H17 | 109.5° | 120.0° |
| C6 | N6 | H18 | 109.5° | 120.0° |
| C6 | C5 | C4 | 119.6° | 118.3° |
| C6 | C5 | N7 | 132.4° | 134.6° |
| N3 | C4 | C5 | 120.0° | 119.2° |
| N3 | C4 | N9 | 132.2° | 134.8° |
| C4 | C5 | N7 | 108.1° | 107.1° |
| C5 | C4 | N9 | 107.8° | 106.0° |
| C5 | N7 | C8 | 107.9° | 109.5° |
| C4 | N9 | C8 | 107.7° | 107.5° |
| C4 | N9 | C1' | 125.4° | 126.3° |
| N7 | C8 | N9 | 108.5° | 109.9° |
| N7 | C8 | H13 | 125.7° | 125.0° |
| C8 | N9 | C1' | 126.9° | 126.3° |
| N9 | C8 | H13 | 125.8° | 125.0° |
| N9 | C1' | O4' | 107.9° | 110.4° |
| N9 | C1' | C2' | 112.8° | 110.4° |
| N9 | C1' | H12 | 109.8° | 110.4° |
| C1' | O4' | C4' | 109.2° | 105.3° |
| O4' | C1' | C2' | 106.3° | 104.8° |
| O4' | C1' | H12 | 110.5° | 110.4° |
| O4' | C4' | C5' | 113.2° | 110.4° |
| O4' | C4' | C3' | 108.1° | 104.8° |
| O4' | C4' | H7 | 108.8° | 110.5° |
| C1' | C2' | O2' | 110.5° | 110.5° |
| C1' | C2' | C3' | 104.5° | 104.1° |
| C1' | C2' | H10 | 109.5° | 110.6° |
| C2' | C1' | H12 | 109.5° | 110.4° |
| C5' | C4' | C3' | 111.0° | 110.4° |
| C4' | C5' | O5' | 110.3° | 109.5° |
| C4' | C5' | H5 | 109.3° | 109.5° |
| C4' | C5' | H6 | 109.2° | 109.5° |
| C5' | C4' | H7 | 107.7° | 110.3° |
| C4' | C3' | C2' | 103.5° | 104.0° |
| C4' | C3' | O3' | 109.4° | 110.5° |
| C3' | C4' | H7 | 107.9° | 110.4° |
| C4' | C3' | H8 | 110.4° | 110.5° |
| C5' | O5' | PBF | 122.5° | 123.0° |
| O5' | C5' | H5 | 109.3° | 109.4° |
| O5' | C5' | H6 | 109.3° | 109.5° |
| O5' | PBF | OAD | 110.8° | 109.5° |
| O5' | PBF | OAT | 107.3° | 109.5° |
| O5' | PBF | OAJ | 105.1° | 109.5° |
| O2' | C2' | C3' | 111.8° | 110.5° |
| O2' | C2' | H10 | 110.8° | 110.4° |
| C2' | O2' | H11 | 109.5° | 114.0° |
| C2' | C3' | O3' | 111.4° | 110.6° |
| C2' | C3' | H8 | 110.5° | 110.6° |
| C3' | C2' | H10 | 109.6° | 110.5° |
| OAD | PBF | OAT | 114.7° | 109.5° |
| OAD | PBF | OAJ | 112.0° | 109.5° |
| O3' | C3' | H8 | 111.5° | 110.5° |
| C3' | O3' | H9 | 109.5° | 114.0° |
| OAT | PBF | OAJ | 106.3° | 109.5° |
| PBF | OAT | PBG | 125.6° | 134.0° |
| PBF | OAJ | H4 | 109.5° | 113.9° |
| OAK | PBG | OAT | 109.1° | 109.4° |
| OAK | PBG | OAE | 110.7° | 109.5° |
| OAK | PBG | OAS | 105.8° | 109.5° |
| OAT | PBG | OAE | 111.5° | 109.5° |
| OAT | PBG | OAS | 106.5° | 109.5° |
| OAE | PBG | OAS | 113.0° | 109.5° |
| PBG | OAE | H3 | 109.5° | 114.0° |
| PBG | OAS | PBE | 118.9° | 134.0° |
| OAS | PBE | OAH | 107.2° | 109.5° |
| OAS | PBE | OAC | 108.3° | 109.5° |
| OAS | PBE | OAI | 104.2° | 109.4° |
| OAH | PBE | OAC | 120.0° | 109.5° |
| OAH | PBE | OAI | 107.5° | 109.5° |
| OAC | PBE | OAI | 108.6° | 109.5° |
| PBE | OAC | H2 | 109.5° | 113.9° |
| PBE | OAI | H1 | 109.5° | 114.0° |
| H5 | C5' | H6 | 109.5° | 109.5° |
| H14 | CAA | H15 | 109.5° | 109.5° |
| H14 | CAA | H16 | 109.5° | 109.5° |
| H15 | CAA | H16 | 109.5° | 109.5° |
| H17 | N6 | H18 | 109.4° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CAA | S2 | C2 | N1 | 10.7° | 0.0° |
| CAA | S2 | C2 | N3 | 168.8° | 180.0° |
| S2 | CAA | H14 | H15 | 120.0° | 120.0° |
| S2 | CAA | H14 | H16 | 120.0° | 120.0° |
| S2 | CAA | H15 | H16 | 120.0° | 120.0° |
| S2 | C2 | N1 | N3 | 179.5° | 180.0° |
| S2 | C2 | N1 | C6 | 179.9° | 179.5° |
| S2 | C2 | N3 | C4 | 179.9° | 180.0° |
| C2 | S2 | CAA | H14 | 180.0° | 180.0° |
| C2 | S2 | CAA | H15 | 60.0° | 60.0° |
| C2 | S2 | CAA | H16 | 60.0° | 60.0° |
| C2 | N1 | C6 | N6 | 179.9° | 180.0° |
| C2 | N1 | C6 | C5 | 0.4° | 0.9° |
| N1 | C2 | N3 | C4 | 0.6° | 0.0° |
| C6 | N1 | C2 | N3 | 0.6° | 0.5° |
| N1 | C6 | N6 | C5 | 179.7° | 179.1° |
| N1 | C6 | C5 | C4 | 0.3° | 0.9° |
| N1 | C6 | C5 | N7 | 179.9° | 179.7° |
| N1 | C6 | N6 | H17 | 0.0° | 0.0° |
| N1 | C6 | N6 | H18 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.5° | 0.0° |
| C2 | N3 | C4 | N9 | 179.1° | 179.4° |
| N6 | C6 | C5 | C4 | 180.0° | 179.9° |
| N6 | C6 | C5 | N7 | 0.2° | 0.6° |
| C6 | N6 | H17 | H18 | 120.0° | 180.0° |
| C6 | C5 | C4 | N3 | 0.3° | 0.4° |
| C6 | C5 | C4 | N7 | 179.8° | 179.6° |
| C6 | C5 | C4 | N9 | 179.4° | 180.0° |
| C6 | C5 | N7 | C8 | 179.5° | 179.7° |
| C5 | C6 | N6 | H17 | 179.8° | 179.1° |
| C5 | C6 | N6 | H18 | 59.7° | 0.9° |
| N3 | C4 | C5 | N9 | 179.7° | 179.6° |
| N3 | C4 | C5 | N7 | 179.8° | 180.0° |
| N3 | C4 | N9 | C8 | 178.9° | 179.9° |
| N3 | C4 | N9 | C1' | 1.5° | 0.4° |
| C4 | C5 | N7 | C8 | 0.7° | 0.2° |
| C5 | C4 | N9 | C8 | 1.4° | 0.4° |
| C5 | C4 | N9 | C1' | 178.8° | 179.9° |
| N7 | C5 | C4 | N9 | 0.4° | 0.4° |
| C5 | N7 | C8 | N9 | 1.5° | 0.1° |
| C5 | N7 | C8 | H13 | 178.5° | 179.9° |
| C4 | N9 | C8 | N7 | 1.8° | 0.3° |
| C4 | N9 | C8 | C1' | 177.4° | 179.7° |
| C4 | N9 | C1' | O4' | 102.8° | 156.8° |
| C4 | N9 | C1' | C2' | 140.1° | 87.8° |
| C4 | N9 | C1' | H12 | 17.7° | 34.5° |
| C4 | N9 | C8 | H13 | 178.2° | 179.8° |
| N7 | C8 | N9 | H13 | 180.0° | 179.9° |
| N7 | C8 | N9 | C1' | 179.2° | 180.0° |
| C8 | N9 | C1' | O4' | 74.2° | 23.6° |
| C8 | N9 | C1' | C2' | 43.0° | 91.8° |
| C8 | N9 | C1' | H12 | 165.3° | 145.9° |
| N9 | C1' | O4' | C2' | 121.3° | 118.9° |
| N9 | C1' | O4' | H12 | 120.0° | 122.3° |
| N9 | C1' | O4' | C4' | 136.5° | 159.4° |
| N9 | C1' | C2' | H12 | 122.5° | 122.3° |
| N9 | C1' | C2' | O2' | 94.4° | 98.5° |
| N9 | C1' | C2' | C3' | 145.3° | 142.8° |
| N9 | C1' | C2' | H10 | 27.9° | 24.1° |
| C1' | N9 | C8 | H13 | 0.8° | 0.1° |
| O4' | C1' | C2' | H12 | 119.4° | 118.8° |
| C1' | O4' | C4' | C5' | 120.5° | 159.3° |
| C1' | O4' | C4' | C3' | 2.9° | 40.5° |
| O4' | C1' | C2' | O2' | 147.6° | 142.6° |
| O4' | C1' | C2' | C3' | 27.2° | 24.0° |
| C1' | O4' | C4' | H7 | 119.8° | 78.4° |
| O4' | C1' | C2' | H10 | 90.1° | 94.8° |
| C4' | O4' | C1' | C2' | 15.2° | 40.5° |
| O4' | C4' | C5' | C3' | 121.9° | 115.4° |
| O4' | C4' | C5' | H7 | 120.3° | 122.4° |
| O4' | C4' | C3' | H7 | 117.5° | 119.0° |
| O4' | C4' | C5' | O5' | 33.1° | 69.6° |
| O4' | C4' | C3' | C2' | 19.7° | 24.0° |
| O4' | C4' | C3' | O3' | 99.1° | 142.7° |
| O4' | C4' | C5' | H5 | 87.0° | 50.4° |
| O4' | C4' | C5' | H6 | 153.3° | 170.4° |
| O4' | C4' | C3' | H8 | 137.8° | 94.8° |
| C4' | O4' | C1' | H12 | 103.5° | 78.3° |
| C1' | C2' | C3' | C4' | 28.0° | 0.0° |
| C1' | C2' | O2' | C3' | 115.9° | 114.7° |
| C1' | C2' | O2' | H10 | 121.6° | 122.7° |
| C1' | C2' | C3' | H10 | 117.3° | 118.8° |
| C1' | C2' | C3' | O3' | 89.3° | 118.7° |
| C1' | C2' | C3' | H8 | 146.2° | 118.6° |
| C1' | C2' | O2' | H11 | 180.0° | 176.1° |
| C5' | C4' | C3' | H7 | 117.7° | 122.2° |
| C4' | C5' | O5' | H5 | 120.1° | 120.0° |
| C4' | C5' | O5' | H6 | 120.1° | 120.0° |
| C4' | C5' | O5' | PBF | 151.9° | 180.0° |
| C5' | C4' | C3' | C2' | 105.1° | 142.8° |
| C5' | C4' | C3' | O3' | 136.1° | 98.5° |
| C4' | C5' | H5 | H6 | 119.6° | 120.0° |
| C5' | C4' | C3' | H8 | 13.1° | 24.0° |
| C3' | C4' | C5' | O5' | 88.7° | 175.0° |
| C4' | C3' | C2' | O2' | 147.6° | 118.6° |
| C4' | C3' | C2' | O3' | 117.4° | 118.6° |
| C4' | C3' | C2' | H8 | 118.1° | 118.7° |
| C4' | C3' | O3' | H8 | 122.3° | 122.6° |
| C3' | C4' | C5' | H5 | 151.2° | 65.0° |
| C3' | C4' | C5' | H6 | 31.4° | 55.0° |
| C4' | C3' | O3' | H9 | 180.0° | 180.0° |
| C4' | C3' | C2' | H10 | 89.3° | 118.8° |
| C5' | O5' | PBF | OAD | 145.3° | 55.0° |
| C5' | O5' | PBF | OAT | 19.3° | 175.0° |
| C5' | O5' | PBF | OAJ | 93.5° | 65.0° |
| O5' | C5' | H5 | H6 | 119.6° | 120.0° |
| O5' | C5' | C4' | H7 | 153.4° | 52.8° |
| O5' | PBF | OAD | OAT | 121.7° | 120.0° |
| O5' | PBF | OAD | OAJ | 117.0° | 120.0° |
| O5' | PBF | OAT | OAJ | 112.0° | 120.0° |
| O5' | PBF | OAT | PBG | 146.9° | 160.0° |
| O5' | PBF | OAJ | H4 | 120.4° | 60.0° |
| PBF | O5' | C5' | H5 | 88.0° | 60.0° |
| PBF | O5' | C5' | H6 | 31.7° | 60.0° |
| O2' | C2' | C3' | H10 | 123.2° | 122.6° |
| O2' | C2' | C3' | O3' | 30.2° | 0.0° |
| O2' | C2' | C3' | H8 | 94.3° | 122.7° |
| O2' | C2' | C1' | H12 | 28.2° | 23.8° |
| C2' | C3' | O3' | H8 | 123.9° | 122.8° |
| C2' | C3' | C4' | H7 | 137.1° | 95.0° |
| C2' | C3' | O3' | H9 | 66.2° | 65.3° |
| C3' | C2' | O2' | H11 | 64.1° | 61.4° |
| C3' | C2' | C1' | H12 | 92.2° | 94.9° |
| OAD | PBF | OAT | OAJ | 124.4° | 120.0° |
| OAD | PBF | OAT | PBG | 23.3° | 40.0° |
| OAD | PBF | OAJ | H4 | 0.0° | 180.0° |
| O3' | C3' | C4' | H7 | 18.4° | 23.7° |
| O3' | C3' | C2' | H10 | 153.4° | 122.6° |
| PBF | OAT | PBG | OAK | 37.6° | 40.0° |
| PBF | OAT | PBG | OAE | 160.2° | 80.0° |
| PBF | OAT | PBG | OAS | 76.2° | 160.0° |
| OAT | PBF | OAJ | H4 | 126.0° | 60.0° |
| OAJ | PBF | OAT | PBG | 101.1° | 80.0° |
| OAK | PBG | OAT | OAE | 122.5° | 120.0° |
| OAK | PBG | OAT | OAS | 113.8° | 120.0° |
| OAK | PBG | OAE | OAS | 118.4° | 120.0° |
| OAK | PBG | OAS | PBE | 156.3° | 45.0° |
| OAK | PBG | OAE | H3 | 0.0° | 180.0° |
| OAT | PBG | OAE | OAS | 120.0° | 120.0° |
| OAT | PBG | OAS | PBE | 87.7° | 165.0° |
| OAT | PBG | OAE | H3 | 121.6° | 60.0° |
| OAE | PBG | OAS | PBE | 35.0° | 75.0° |
| PBG | OAS | PBE | OAH | 61.1° | 40.0° |
| PBG | OAS | PBE | OAC | 69.7° | 160.0° |
| PBG | OAS | PBE | OAI | 174.8° | 80.0° |
| OAS | PBG | OAE | H3 | 118.4° | 60.0° |
| OAS | PBE | OAH | OAC | 123.9° | 120.0° |
| OAS | PBE | OAH | OAI | 111.6° | 120.0° |
| OAS | PBE | OAC | OAI | 112.6° | 120.0° |
| OAS | PBE | OAI | H1 | 113.5° | 60.1° |
| OAS | PBE | OAC | H2 | 123.3° | 179.9° |
| OAH | PBE | OAC | OAI | 124.0° | 120.0° |
| OAH | PBE | OAI | H1 | 0.0° | 179.9° |
| OAH | PBE | OAC | H2 | 0.0° | 60.1° |
| OAC | PBE | OAI | H1 | 131.2° | 59.9° |
| OAI | PBE | OAC | H2 | 124.0° | 60.0° |
| H5 | C5' | C4' | H7 | 33.3° | 172.7° |
| H6 | C5' | C4' | H7 | 86.4° | 67.3° |
| H7 | C4' | C3' | H8 | 104.7° | 146.3° |
| H8 | C3' | O3' | H9 | 57.7° | 57.5° |
| H8 | C3' | C2' | H10 | 28.9° | 0.1° |
| H10 | C2' | O2' | H11 | 58.4° | 61.2° |
| H10 | C2' | C1' | H12 | 150.5° | 146.4° |
| H14 | CAA | H15 | H16 | 120.0° | 120.1° |
