8X1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | N | sing | 1.48Å | 1.44Å | |
| CG | CB | sing | 1.54Å | 1.53Å | |
| N | CA | sing | 1.48Å | 1.44Å | |
| CB | CA | sing | 1.54Å | 1.53Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| C | N3S | sing | 1.35Å | 1.33Å | |
| N1 | C2 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C6 | sing | 1.33Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.32Å | 1.34Å | Aromatic |
| N6 | C6 | sing | 1.38Å | 1.36Å | |
| C6 | C5 | doub | 1.41Å | 1.39Å | Aromatic |
| N3 | C4 | doub | 1.33Å | 1.36Å | Aromatic |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| O4' | C1' | sing | 1.44Å | 1.43Å | |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.35Å | Aromatic |
| N3S | S | sing | 1.66Å | 1.52Å | |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C5' | O5' | sing | 1.43Å | 1.42Å | |
| C5' | C4' | sing | 1.53Å | 1.52Å | |
| O5' | S | sing | 1.52Å | 1.53Å | |
| N7 | C8 | doub | 1.30Å | 1.35Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.48Å | |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| C1' | C2' | sing | 1.54Å | 1.52Å | |
| O1S | S | doub | 1.42Å | 1.44Å | |
| S | O2S | doub | 1.42Å | 1.44Å | |
| C3' | C2' | sing | 1.55Å | 1.52Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C2' | O2' | sing | 1.43Å | 1.43Å | |
| N3S | H1 | sing | 0.97Å | 1.00Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| CB | H3 | sing | 1.09Å | 1.10Å | |
| CB | H4 | sing | 1.09Å | 1.10Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| N | H7 | sing | 1.01Å | 1.00Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C2' | H14 | sing | 1.09Å | 1.10Å | |
| O2' | H15 | sing | 0.97Å | 0.95Å | |
| C1' | H16 | sing | 1.09Å | 1.10Å | |
| C8 | H17 | sing | 1.08Å | 1.08Å | |
| C2 | H18 | sing | 1.08Å | 1.08Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å | |
| N6 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CG | CB | 85.1° | 86.2° |
| CG | N | CA | 98.8° | 90.6° |
| N | CG | H5 | 115.2° | 113.7° |
| N | CG | H6 | 115.2° | 113.8° |
| CG | N | H7 | 112.1° | 111.1° |
| CG | CB | CA | 90.9° | 86.3° |
| CG | CB | H3 | 113.9° | 113.8° |
| CG | CB | H4 | 113.9° | 113.8° |
| CB | CG | H5 | 115.2° | 113.7° |
| CB | CG | H6 | 115.2° | 113.8° |
| N | CA | CB | 85.1° | 86.3° |
| N | CA | C | 116.7° | 113.8° |
| N | CA | H2 | 113.5° | 113.8° |
| CA | N | H7 | 112.1° | 111.0° |
| CB | CA | C | 114.4° | 113.8° |
| CB | CA | H2 | 112.0° | 113.7° |
| CA | CB | H3 | 113.9° | 113.8° |
| CA | CB | H4 | 113.9° | 113.7° |
| O | C | CA | 120.5° | 120.0° |
| O | C | N3S | 123.9° | 120.0° |
| CA | C | N3S | 115.6° | 120.0° |
| C | CA | H2 | 112.5° | 112.9° |
| C | N3S | S | 123.7° | 120.0° |
| C | N3S | H1 | 118.1° | 120.0° |
| C2 | N1 | C6 | 121.0° | 121.1° |
| N1 | C2 | N3 | 121.0° | 122.5° |
| N1 | C2 | H18 | 119.5° | 118.8° |
| N1 | C6 | N6 | 120.3° | 120.8° |
| N1 | C6 | C5 | 119.2° | 118.5° |
| C2 | N3 | C4 | 120.3° | 120.6° |
| N3 | C2 | H18 | 119.5° | 118.7° |
| N6 | C6 | C5 | 120.5° | 120.7° |
| C6 | N6 | H19 | 109.5° | 120.0° |
| C6 | N6 | H20 | 109.5° | 120.1° |
| C6 | C5 | C4 | 118.8° | 118.1° |
| C6 | C5 | N7 | 133.7° | 134.7° |
| N3 | C4 | C5 | 119.8° | 119.1° |
| N3 | C4 | N9 | 132.8° | 134.9° |
| C4' | O4' | C1' | 109.2° | 105.3° |
| O4' | C4' | C5' | 110.1° | 110.4° |
| O4' | C4' | C3' | 105.0° | 104.8° |
| O4' | C4' | H11 | 109.8° | 110.4° |
| O4' | C1' | N9 | 110.0° | 110.4° |
| O4' | C1' | C2' | 106.9° | 104.8° |
| O4' | C1' | H16 | 110.1° | 110.4° |
| C4 | C5 | N7 | 107.5° | 107.2° |
| C5 | C4 | N9 | 107.4° | 106.0° |
| C5 | N7 | C8 | 107.6° | 109.5° |
| N3S | S | O5' | 108.9° | 107.2° |
| N3S | S | O1S | 111.4° | 106.3° |
| N3S | S | O2S | 108.1° | 106.4° |
| S | N3S | H1 | 118.1° | 120.0° |
| C4 | N9 | C1' | 124.9° | 126.3° |
| C4 | N9 | C8 | 108.6° | 107.4° |
| O5' | C5' | C4' | 110.0° | 109.5° |
| C5' | O5' | S | 119.7° | 114.0° |
| O5' | C5' | H9 | 109.3° | 109.5° |
| O5' | C5' | H10 | 109.3° | 109.5° |
| C5' | C4' | C3' | 115.0° | 110.4° |
| C4' | C5' | H9 | 109.3° | 109.5° |
| C4' | C5' | H10 | 109.3° | 109.4° |
| C5' | C4' | H11 | 108.4° | 110.4° |
| O5' | S | O1S | 109.2° | 106.4° |
| O5' | S | O2S | 109.4° | 106.4° |
| N7 | C8 | N9 | 108.9° | 109.9° |
| N7 | C8 | H17 | 125.6° | 125.1° |
| C1' | N9 | C8 | 126.6° | 126.3° |
| N9 | C1' | C2' | 111.7° | 110.4° |
| N9 | C1' | H16 | 109.4° | 110.3° |
| N9 | C8 | H17 | 125.6° | 125.0° |
| C4' | C3' | C2' | 103.7° | 104.1° |
| C4' | C3' | O3' | 112.4° | 110.5° |
| C3' | C4' | H11 | 108.4° | 110.4° |
| C4' | C3' | H12 | 109.1° | 110.5° |
| C1' | C2' | C3' | 105.3° | 104.1° |
| C1' | C2' | O2' | 110.1° | 110.5° |
| C1' | C2' | H14 | 109.7° | 110.7° |
| C2' | C1' | H16 | 108.8° | 110.4° |
| O1S | S | O2S | 109.8° | 123.2° |
| C2' | C3' | O3' | 111.7° | 110.5° |
| C3' | C2' | O2' | 110.8° | 110.5° |
| C2' | C3' | H12 | 109.2° | 110.5° |
| C3' | C2' | H14 | 109.8° | 110.5° |
| O3' | C3' | H12 | 110.4° | 110.6° |
| C3' | O3' | H13 | 109.5° | 114.0° |
| O2' | C2' | H14 | 111.0° | 110.4° |
| C2' | O2' | H15 | 109.5° | 114.0° |
| H3 | CB | H4 | 109.5° | 112.9° |
| H5 | CG | H6 | 109.5° | 113.0° |
| H9 | C5' | H10 | 109.5° | 109.4° |
| H19 | N6 | H20 | 109.4° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CG | CB | H5 | 115.6° | 114.3° |
| N | CG | CB | H6 | 115.5° | 114.3° |
| CG | N | CA | H7 | 118.2° | 112.9° |
| N | CG | CB | CA | 0.0° | 23.7° |
| CG | N | CA | C | 114.9° | 89.7° |
| CG | N | CA | H2 | 111.8° | 139.0° |
| N | CG | CB | H3 | 116.8° | 138.1° |
| N | CG | CB | H4 | 116.7° | 90.7° |
| N | CG | H5 | H6 | 131.6° | 131.7° |
| CG | CB | CA | H3 | 116.7° | 114.4° |
| CG | CB | CA | H4 | 116.7° | 114.4° |
| CG | CB | CA | C | 117.2° | 90.7° |
| CG | CB | CA | H2 | 113.4° | 138.1° |
| CG | CB | H3 | H4 | 128.8° | 131.6° |
| CB | CG | H5 | H6 | 131.6° | 131.8° |
| CB | CG | N | H7 | 118.2° | 137.5° |
| N | CA | CB | C | 117.1° | 114.4° |
| N | CA | CB | H2 | 113.4° | 114.4° |
| N | CA | C | O | 12.0° | 1.3° |
| N | CA | C | H2 | 133.7° | 131.6° |
| N | CA | C | N3S | 168.0° | 178.6° |
| N | CA | CB | H3 | 116.8° | 138.1° |
| N | CA | CB | H4 | 116.7° | 90.7° |
| CA | N | CG | H5 | 115.5° | 89.6° |
| CA | N | CG | H6 | 115.6° | 139.0° |
| CB | CA | C | O | 85.0° | 98.0° |
| CB | CA | C | H2 | 129.2° | 131.6° |
| CB | CA | C | N3S | 94.9° | 81.9° |
| CA | CB | H3 | H4 | 128.8° | 131.6° |
| CA | CB | CG | H5 | 115.5° | 90.6° |
| CA | CB | CG | H6 | 115.6° | 138.0° |
| CB | CA | N | H7 | 118.2° | 137.6° |
| O | C | CA | N3S | 180.0° | 179.9° |
| O | C | N3S | S | 0.3° | 0.1° |
| O | C | N3S | H1 | 179.7° | 179.9° |
| O | C | CA | H2 | 145.8° | 130.4° |
| CA | C | N3S | S | 179.7° | 180.0° |
| CA | C | N3S | H1 | 0.3° | 0.1° |
| C | CA | CB | H3 | 126.1° | 23.7° |
| C | CA | CB | H4 | 0.4° | 154.9° |
| C | CA | N | H7 | 3.3° | 23.2° |
| C | N3S | S | H1 | 180.0° | 179.9° |
| C | N3S | S | O5' | 72.0° | 64.9° |
| C | N3S | S | O1S | 48.4° | 48.6° |
| C | N3S | S | O2S | 169.2° | 178.5° |
| N3S | C | CA | H2 | 34.3° | 49.7° |
| N1 | C2 | N3 | H18 | 180.0° | 180.0° |
| C2 | N1 | C6 | N6 | 180.0° | 180.0° |
| C2 | N1 | C6 | C5 | 0.2° | 0.1° |
| N1 | C2 | N3 | C4 | 0.1° | 0.0° |
| C6 | N1 | C2 | N3 | 0.0° | 0.1° |
| N1 | C6 | N6 | C5 | 179.9° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.1° |
| N1 | C6 | C5 | N7 | 179.8° | 180.0° |
| C6 | N1 | C2 | H18 | 179.9° | 180.0° |
| N1 | C6 | N6 | H19 | 0.0° | 0.0° |
| N1 | C6 | N6 | H20 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 0.2° | 0.0° |
| C2 | N3 | C4 | N9 | 179.7° | 180.0° |
| N6 | C6 | C5 | C4 | 179.9° | 180.0° |
| N6 | C6 | C5 | N7 | 0.1° | 0.1° |
| C6 | N6 | H19 | H20 | 120.0° | 179.9° |
| C6 | C5 | C4 | N3 | 0.1° | 0.1° |
| C6 | C5 | C4 | N7 | 179.9° | 180.0° |
| C6 | C5 | C4 | N9 | 179.8° | 180.0° |
| C6 | C5 | N7 | C8 | 180.0° | 179.7° |
| C5 | C6 | N6 | H19 | 179.9° | 179.9° |
| C5 | C6 | N6 | H20 | 60.2° | 0.1° |
| N3 | C4 | C5 | N9 | 180.0° | 180.0° |
| N3 | C4 | C5 | N7 | 180.0° | 180.0° |
| N3 | C4 | N9 | C1' | 0.2° | 0.0° |
| N3 | C4 | N9 | C8 | 179.8° | 179.8° |
| C4 | N3 | C2 | H18 | 179.9° | 180.0° |
| O4' | C4' | C5' | O5' | 57.2° | 69.6° |
| O4' | C4' | C5' | C3' | 118.3° | 115.4° |
| O4' | C4' | C5' | H11 | 120.1° | 122.3° |
| C4' | O4' | C1' | N9 | 140.9° | 159.4° |
| O4' | C4' | C3' | H11 | 117.3° | 118.9° |
| C4' | O4' | C1' | C2' | 19.5° | 40.5° |
| O4' | C4' | C3' | C2' | 30.1° | 23.9° |
| O4' | C4' | C3' | O3' | 151.0° | 142.6° |
| O4' | C4' | C5' | H9 | 177.3° | 50.4° |
| O4' | C4' | C5' | H10 | 62.9° | 170.4° |
| O4' | C4' | C3' | H12 | 86.2° | 94.7° |
| C4' | O4' | C1' | H16 | 98.5° | 78.4° |
| O4' | C1' | N9 | C4 | 114.7° | 159.2° |
| C1' | O4' | C4' | C5' | 155.6° | 159.3° |
| O4' | C1' | N9 | C2' | 118.5° | 115.5° |
| O4' | C1' | N9 | H16 | 121.1° | 122.3° |
| O4' | C1' | N9 | C8 | 64.8° | 20.5° |
| C1' | O4' | C4' | C3' | 31.3° | 40.5° |
| O4' | C1' | C2' | H16 | 118.8° | 118.8° |
| O4' | C1' | C2' | C3' | 0.3° | 24.0° |
| O4' | C1' | C2' | O2' | 119.2° | 142.6° |
| C1' | O4' | C4' | H11 | 85.1° | 78.4° |
| O4' | C1' | C2' | H14 | 118.4° | 94.7° |
| C4 | C5 | N7 | C8 | 0.2° | 0.3° |
| C5 | C4 | N9 | C1' | 179.8° | 180.0° |
| C5 | C4 | N9 | C8 | 0.2° | 0.3° |
| N7 | C5 | C4 | N9 | 0.1° | 0.0° |
| C5 | N7 | C8 | N9 | 0.3° | 0.5° |
| C5 | N7 | C8 | H17 | 179.7° | 179.7° |
| N3S | S | O5' | C5' | 62.5° | 75.0° |
| N3S | S | O5' | O1S | 121.8° | 113.5° |
| N3S | S | O5' | O2S | 118.0° | 113.5° |
| N3S | S | O1S | O2S | 119.7° | 122.9° |
| C4 | N9 | C8 | N7 | 0.3° | 0.5° |
| C4 | N9 | C1' | C8 | 179.5° | 179.7° |
| C4 | N9 | C1' | C2' | 126.9° | 85.3° |
| C4 | N9 | C1' | H16 | 6.4° | 37.0° |
| C4 | N9 | C8 | H17 | 179.7° | 179.7° |
| O5' | C5' | C4' | H9 | 120.1° | 120.0° |
| O5' | C5' | C4' | H10 | 120.1° | 120.0° |
| O5' | C5' | C4' | C3' | 61.1° | 175.0° |
| C5' | O5' | S | O1S | 175.7° | 171.5° |
| C5' | O5' | S | O2S | 55.5° | 38.5° |
| O5' | C5' | H9 | H10 | 119.7° | 120.0° |
| O5' | C5' | C4' | H11 | 177.3° | 52.7° |
| C4' | C5' | O5' | S | 126.0° | 179.9° |
| C5' | C4' | C3' | H11 | 121.6° | 122.3° |
| C5' | C4' | C3' | C2' | 151.2° | 142.8° |
| C5' | C4' | C3' | O3' | 87.9° | 98.6° |
| C4' | C5' | H9 | H10 | 119.7° | 119.9° |
| C5' | C4' | C3' | H12 | 34.9° | 24.1° |
| O5' | S | O1S | O2S | 119.9° | 123.0° |
| O5' | S | N3S | H1 | 107.9° | 114.9° |
| S | O5' | C5' | H9 | 5.9° | 60.0° |
| S | O5' | C5' | H10 | 113.9° | 60.0° |
| N7 | C8 | N9 | C1' | 179.9° | 179.8° |
| N7 | C8 | N9 | H17 | 180.0° | 179.9° |
| N9 | C1' | C2' | H16 | 120.8° | 122.2° |
| N9 | C1' | C2' | C3' | 120.0° | 142.9° |
| N9 | C1' | C2' | O2' | 120.5° | 98.4° |
| N9 | C1' | C2' | H14 | 1.9° | 24.2° |
| C1' | N9 | C8 | H17 | 0.1° | 0.1° |
| C8 | N9 | C1' | C2' | 53.6° | 95.0° |
| C8 | N9 | C1' | H16 | 174.1° | 142.7° |
| C4' | C3' | C2' | C1' | 18.2° | 0.0° |
| C4' | C3' | C2' | O3' | 121.4° | 118.7° |
| C4' | C3' | C2' | H12 | 116.2° | 118.7° |
| C4' | C3' | O3' | H12 | 122.1° | 122.7° |
| C4' | C3' | C2' | O2' | 100.8° | 118.6° |
| C3' | C4' | C5' | H9 | 59.0° | 64.9° |
| C3' | C4' | C5' | H10 | 178.8° | 55.0° |
| C4' | C3' | O3' | H13 | 180.0° | 179.9° |
| C4' | C3' | C2' | H14 | 136.2° | 118.8° |
| C1' | C2' | C3' | O2' | 119.0° | 118.6° |
| C1' | C2' | C3' | H14 | 118.0° | 118.8° |
| C1' | C2' | C3' | O3' | 139.6° | 118.6° |
| C1' | C2' | O2' | H14 | 121.6° | 122.8° |
| C1' | C2' | C3' | H12 | 98.0° | 118.7° |
| C1' | C2' | O2' | H15 | 180.0° | 176.1° |
| O1S | S | N3S | H1 | 131.6° | 131.5° |
| O2S | S | N3S | H1 | 10.9° | 1.4° |
| C2' | C3' | O3' | H12 | 121.7° | 122.6° |
| C3' | C2' | O2' | H14 | 122.3° | 122.6° |
| C2' | C3' | C4' | H11 | 87.2° | 94.9° |
| C2' | C3' | O3' | H13 | 63.8° | 65.4° |
| C3' | C2' | O2' | H15 | 63.9° | 61.5° |
| C3' | C2' | C1' | H16 | 119.2° | 94.9° |
| O3' | C3' | C2' | O2' | 20.5° | 0.0° |
| O3' | C3' | C4' | H11 | 33.7° | 23.7° |
| O3' | C3' | C2' | H14 | 102.4° | 122.5° |
| O2' | C2' | C3' | H12 | 143.0° | 122.7° |
| O2' | C2' | C1' | H16 | 0.3° | 23.8° |
| H2 | CA | CB | H3 | 3.4° | 107.5° |
| H2 | CA | CB | H4 | 129.9° | 23.7° |
| H2 | CA | N | H7 | 130.0° | 108.1° |
| H3 | CB | CG | H5 | 1.2° | 23.8° |
| H3 | CB | CG | H6 | 127.6° | 107.6° |
| H4 | CB | CG | H5 | 127.7° | 155.1° |
| H4 | CB | CG | H6 | 1.1° | 23.7° |
| H5 | CG | N | H7 | 126.3° | 23.2° |
| H6 | CG | N | H7 | 2.6° | 108.1° |
| H9 | C5' | C4' | H11 | 62.6° | 172.8° |
| H10 | C5' | C4' | H11 | 57.2° | 67.3° |
| H11 | C4' | C3' | H12 | 156.5° | 146.5° |
| H12 | C3' | O3' | H13 | 57.9° | 57.2° |
| H12 | C3' | C2' | H14 | 20.0° | 0.1° |
| H14 | C2' | O2' | H15 | 58.4° | 61.1° |
| H14 | C2' | C1' | H16 | 122.7° | 146.4° |
