5X8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.51Å | |
| OXT | C | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| C | O | sing | 1.34Å | 1.28Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| SG | CB | sing | 1.81Å | 1.80Å | |
| SG | C5' | sing | 1.81Å | 1.83Å | |
| C5' | C4' | sing | 1.53Å | 1.53Å | |
| C4' | O4' | sing | 1.44Å | 1.51Å | |
| C4' | C3' | sing | 1.54Å | 1.52Å | |
| O2' | C2' | sing | 1.43Å | 1.44Å | |
| O4' | C1' | sing | 1.44Å | 1.39Å | |
| N3 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| N3 | C4 | sing | 1.33Å | 1.31Å | Aromatic |
| O3' | C3' | sing | 1.43Å | 1.48Å | |
| C2 | N1 | sing | 1.32Å | 1.36Å | Aromatic |
| C1' | C2' | sing | 1.55Å | 1.58Å | |
| C1' | N9 | sing | 1.47Å | 1.49Å | |
| C3' | C2' | sing | 1.55Å | 1.53Å | |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C4 | C5 | doub | 1.40Å | 1.37Å | Aromatic |
| N9 | C8 | sing | 1.36Å | 1.34Å | Aromatic |
| N1 | C6 | doub | 1.33Å | 1.32Å | Aromatic |
| C5 | C6 | sing | 1.41Å | 1.39Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| C6 | N6 | sing | 1.38Å | 1.36Å | |
| C8 | N7 | doub | 1.30Å | 1.34Å | Aromatic |
| C8 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| O | H3 | sing | 0.97Å | 0.95Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| N | H6 | sing | 1.01Å | 1.00Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C5' | H11 | sing | 1.09Å | 1.10Å | |
| C4' | H12 | sing | 1.09Å | 1.10Å | |
| C3' | H13 | sing | 1.09Å | 1.10Å | |
| O3' | H14 | sing | 0.97Å | 0.95Å | |
| C2' | H15 | sing | 1.09Å | 1.10Å | |
| O2' | H16 | sing | 0.97Å | 0.95Å | |
| C1' | H17 | sing | 1.09Å | 1.10Å | |
| N6 | H18 | sing | 0.97Å | 1.00Å | |
| N6 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 105.3° | 109.5° |
| N | CA | CB | 118.3° | 109.4° |
| N | CA | H4 | 106.5° | 109.5° |
| CA | N | H5 | 109.5° | 111.0° |
| CA | N | H6 | 109.5° | 111.0° |
| OXT | C | CA | 124.4° | 120.0° |
| OXT | C | O | 121.1° | 120.0° |
| CA | C | O | 113.9° | 120.0° |
| C | CA | CB | 112.4° | 109.5° |
| C | CA | H4 | 106.9° | 109.5° |
| C | O | H3 | 109.5° | 117.0° |
| CA | CB | SG | 113.8° | 109.5° |
| CB | CA | H4 | 106.8° | 109.5° |
| CA | CB | H8 | 108.4° | 109.5° |
| CA | CB | H9 | 108.4° | 109.5° |
| CB | SG | C5' | 103.0° | 103.0° |
| SG | CB | H8 | 108.4° | 109.5° |
| SG | CB | H9 | 108.4° | 109.4° |
| SG | C5' | C4' | 112.8° | 109.5° |
| SG | C5' | H10 | 108.6° | 109.5° |
| SG | C5' | H11 | 108.6° | 109.5° |
| C5' | C4' | O4' | 107.0° | 109.8° |
| C5' | C4' | C3' | 117.5° | 109.9° |
| C4' | C5' | H10 | 108.6° | 109.4° |
| C4' | C5' | H11 | 108.6° | 109.4° |
| C5' | C4' | H12 | 110.7° | 109.8° |
| O4' | C4' | C3' | 99.2° | 107.3° |
| C4' | O4' | C1' | 106.6° | 106.9° |
| O4' | C4' | H12 | 111.0° | 109.9° |
| C4' | C3' | O3' | 107.6° | 110.4° |
| C4' | C3' | C2' | 104.2° | 104.2° |
| C3' | C4' | H12 | 110.7° | 110.1° |
| C4' | C3' | H13 | 110.8° | 110.5° |
| O2' | C2' | C1' | 103.2° | 110.9° |
| O2' | C2' | C3' | 110.3° | 110.9° |
| O2' | C2' | H15 | 115.6° | 110.8° |
| C2' | O2' | H16 | 109.5° | 114.0° |
| O4' | C1' | C2' | 109.7° | 103.5° |
| O4' | C1' | N9 | 110.8° | 110.6° |
| O4' | C1' | H17 | 109.2° | 110.6° |
| C2 | N3 | C4 | 112.8° | 120.6° |
| N3 | C2 | N1 | 126.6° | 122.5° |
| N3 | C2 | H2 | 116.7° | 118.8° |
| N3 | C4 | N9 | 126.5° | 134.9° |
| N3 | C4 | C5 | 126.4° | 119.1° |
| O3' | C3' | C2' | 111.8° | 110.5° |
| O3' | C3' | H13 | 111.5° | 110.5° |
| C3' | O3' | H14 | 109.5° | 114.0° |
| C2 | N1 | C6 | 117.4° | 121.2° |
| N1 | C2 | H2 | 116.7° | 118.8° |
| C2' | C1' | N9 | 112.4° | 110.6° |
| C1' | C2' | C3' | 98.8° | 102.1° |
| C1' | C2' | H15 | 113.1° | 110.9° |
| C2' | C1' | H17 | 106.8° | 110.7° |
| C1' | N9 | C4 | 120.8° | 126.3° |
| C1' | N9 | C8 | 131.8° | 126.3° |
| N9 | C1' | H17 | 107.9° | 110.7° |
| C2' | C3' | H13 | 110.7° | 110.5° |
| C3' | C2' | H15 | 114.0° | 110.9° |
| N9 | C4 | C5 | 107.1° | 106.0° |
| C4 | N9 | C8 | 105.8° | 107.4° |
| C4 | C5 | C6 | 116.6° | 118.1° |
| C4 | C5 | N7 | 111.1° | 107.2° |
| N9 | C8 | N7 | 114.6° | 109.9° |
| N9 | C8 | H1 | 122.7° | 125.0° |
| N1 | C6 | C5 | 119.5° | 118.5° |
| N1 | C6 | N6 | 117.6° | 120.8° |
| C6 | C5 | N7 | 132.2° | 134.7° |
| C5 | C6 | N6 | 122.6° | 120.7° |
| C5 | N7 | C8 | 101.2° | 109.5° |
| C6 | N6 | H18 | 109.5° | 120.0° |
| C6 | N6 | H19 | 109.5° | 120.0° |
| N7 | C8 | H1 | 122.7° | 125.1° |
| H5 | N | H6 | 109.5° | 111.0° |
| H8 | CB | H9 | 109.5° | 109.5° |
| H10 | C5' | H11 | 109.4° | 109.5° |
| H18 | N6 | H19 | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | OXT | 34.2° | 20.0° |
| N | CA | C | CB | 130.1° | 120.0° |
| N | CA | C | H4 | 113.0° | 120.0° |
| N | CA | C | O | 154.0° | 160.0° |
| N | CA | CB | H4 | 120.0° | 120.0° |
| N | CA | CB | SG | 45.1° | 60.0° |
| CA | N | H5 | H6 | 120.0° | 124.0° |
| N | CA | CB | H8 | 75.5° | 60.0° |
| N | CA | CB | H9 | 165.7° | 179.9° |
| OXT | C | CA | O | 171.7° | 180.0° |
| OXT | C | CA | CB | 95.9° | 100.0° |
| OXT | C | O | H3 | 0.0° | 0.0° |
| OXT | C | CA | H4 | 147.3° | 140.0° |
| C | CA | CB | H4 | 116.9° | 120.0° |
| C | CA | CB | SG | 168.2° | 180.0° |
| CA | C | O | H3 | 172.0° | 180.0° |
| C | CA | N | H5 | 180.0° | 60.0° |
| C | CA | N | H6 | 60.0° | 176.1° |
| C | CA | CB | H8 | 47.6° | 60.0° |
| C | CA | CB | H9 | 71.2° | 60.0° |
| O | C | CA | CB | 75.8° | 80.0° |
| O | C | CA | H4 | 41.0° | 40.0° |
| CA | CB | SG | H8 | 120.6° | 120.0° |
| CA | CB | SG | H9 | 120.7° | 120.0° |
| CA | CB | SG | C5' | 174.9° | 180.0° |
| CB | CA | N | H5 | 53.4° | 60.0° |
| CB | CA | N | H6 | 173.4° | 64.0° |
| CA | CB | H8 | H9 | 118.0° | 120.0° |
| CB | SG | C5' | C4' | 65.6° | 180.0° |
| SG | CB | CA | H4 | 74.9° | 60.0° |
| SG | CB | H8 | H9 | 118.0° | 120.0° |
| CB | SG | C5' | H10 | 55.0° | 60.0° |
| CB | SG | C5' | H11 | 173.9° | 60.0° |
| SG | C5' | C4' | H10 | 120.5° | 120.0° |
| SG | C5' | C4' | H11 | 120.5° | 120.0° |
| SG | C5' | C4' | O4' | 83.2° | 66.4° |
| SG | C5' | C4' | C3' | 166.4° | 175.7° |
| C5' | SG | CB | H8 | 64.5° | 60.0° |
| C5' | SG | CB | H9 | 54.2° | 60.0° |
| SG | C5' | H10 | H11 | 118.4° | 120.1° |
| SG | C5' | C4' | H12 | 37.9° | 54.5° |
| C5' | C4' | O4' | C3' | 122.6° | 119.4° |
| C5' | C4' | O4' | H12 | 120.9° | 120.9° |
| C5' | C4' | C3' | H12 | 128.5° | 121.1° |
| C5' | C4' | O4' | C1' | 163.1° | 146.0° |
| C5' | C4' | C3' | O3' | 80.4° | 119.9° |
| C5' | C4' | C3' | C2' | 160.8° | 121.5° |
| C4' | C5' | H10 | H11 | 118.5° | 120.0° |
| C5' | C4' | C3' | H13 | 41.7° | 2.8° |
| O4' | C4' | C3' | H12 | 116.7° | 119.6° |
| O4' | C4' | C3' | O3' | 164.8° | 120.7° |
| C4' | O4' | C1' | C2' | 20.2° | 40.1° |
| C4' | O4' | C1' | N9 | 144.8° | 158.6° |
| O4' | C4' | C3' | C2' | 46.0° | 2.1° |
| O4' | C4' | C5' | H10 | 37.4° | 53.6° |
| O4' | C4' | C5' | H11 | 156.3° | 173.5° |
| O4' | C4' | C3' | H13 | 73.1° | 116.6° |
| C4' | O4' | C1' | H17 | 96.5° | 78.5° |
| C4' | C3' | C2' | O2' | 74.2° | 139.1° |
| C3' | C4' | O4' | C1' | 40.5° | 26.6° |
| C4' | C3' | O3' | C2' | 113.9° | 114.7° |
| C4' | C3' | O3' | H13 | 121.7° | 122.6° |
| C4' | C3' | C2' | C1' | 33.5° | 20.9° |
| C4' | C3' | C2' | H13 | 119.2° | 118.7° |
| C3' | C4' | C5' | H10 | 73.1° | 64.3° |
| C3' | C4' | C5' | H11 | 45.9° | 55.7° |
| C4' | C3' | O3' | H14 | 180.0° | 180.0° |
| C4' | C3' | C2' | H15 | 153.8° | 97.4° |
| O2' | C2' | C1' | O4' | 104.8° | 155.2° |
| O2' | C2' | C3' | O3' | 41.7° | 20.5° |
| O2' | C2' | C1' | C3' | 113.4° | 118.2° |
| O2' | C2' | C1' | H15 | 125.7° | 123.6° |
| O2' | C2' | C1' | N9 | 131.5° | 86.3° |
| O2' | C2' | C3' | H15 | 132.0° | 123.5° |
| O2' | C2' | C3' | H13 | 166.6° | 102.2° |
| O2' | C2' | C1' | H17 | 13.4° | 36.7° |
| O4' | C1' | C2' | N9 | 123.7° | 118.4° |
| O4' | C1' | C2' | H17 | 118.2° | 118.5° |
| O4' | C1' | N9 | H17 | 119.5° | 122.9° |
| O4' | C1' | C2' | C3' | 8.6° | 37.0° |
| O4' | C1' | N9 | C4 | 110.3° | 156.5° |
| O4' | C1' | N9 | C8 | 86.5° | 23.5° |
| C1' | O4' | C4' | H12 | 76.0° | 93.1° |
| O4' | C1' | C2' | H15 | 129.5° | 81.1° |
| N3 | C2 | N1 | H2 | 180.0° | 180.0° |
| C2 | N3 | C4 | N9 | 179.9° | 179.9° |
| C2 | N3 | C4 | C5 | 0.0° | 0.0° |
| N3 | C2 | N1 | C6 | 10.4° | 0.0° |
| C4 | N3 | C2 | N1 | 5.8° | 0.0° |
| N3 | C4 | N9 | C1' | 12.5° | 0.0° |
| N3 | C4 | N9 | C5 | 179.9° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| N3 | C4 | C5 | C6 | 0.9° | 0.0° |
| N3 | C4 | C5 | N7 | 177.5° | 180.0° |
| C4 | N3 | C2 | H2 | 174.2° | 180.0° |
| O3' | C3' | C2' | C1' | 149.4° | 97.7° |
| O3' | C3' | C2' | H13 | 124.9° | 122.7° |
| O3' | C3' | C4' | H12 | 48.0° | 1.2° |
| O3' | C3' | C2' | H15 | 90.3° | 144.0° |
| C2 | N1 | C6 | C5 | 8.7° | 0.1° |
| C2 | N1 | C6 | N6 | 177.5° | 180.0° |
| C2' | C1' | N9 | H17 | 117.4° | 123.1° |
| C1' | C2' | C3' | H15 | 120.3° | 118.2° |
| C2' | C1' | N9 | C4 | 126.6° | 89.5° |
| C2' | C1' | N9 | C8 | 36.6° | 90.5° |
| C1' | C2' | C3' | H13 | 85.7° | 139.6° |
| C1' | C2' | O2' | H16 | 180.0° | 174.1° |
| N9 | C1' | C2' | C3' | 115.1° | 155.5° |
| C1' | N9 | C4 | C8 | 167.0° | 180.0° |
| C1' | N9 | C4 | C5 | 167.6° | 180.0° |
| C1' | N9 | C8 | N7 | 168.5° | 179.9° |
| C1' | N9 | C8 | H1 | 11.5° | 0.1° |
| N9 | C1' | C2' | H15 | 5.8° | 37.3° |
| C2' | C3' | C4' | H12 | 70.8° | 117.5° |
| C2' | C3' | O3' | H14 | 66.2° | 65.3° |
| C3' | C2' | O2' | H16 | 75.2° | 61.4° |
| C3' | C2' | C1' | H17 | 126.7° | 81.5° |
| N9 | C4 | C5 | C6 | 179.2° | 180.0° |
| N9 | C4 | C5 | N7 | 2.4° | 0.0° |
| C4 | N9 | C8 | N7 | 3.5° | 0.1° |
| C4 | N9 | C8 | H1 | 176.5° | 179.9° |
| C4 | N9 | C1' | H17 | 9.1° | 33.6° |
| C5 | C4 | N9 | C8 | 0.5° | 0.0° |
| C4 | C5 | C6 | N1 | 3.7° | 0.0° |
| C4 | C5 | C6 | N7 | 178.0° | 180.0° |
| C4 | C5 | C6 | N6 | 177.2° | 180.0° |
| C4 | C5 | N7 | C8 | 4.2° | 0.1° |
| N9 | C8 | N7 | C5 | 4.7° | 0.1° |
| N9 | C8 | N7 | H1 | 180.0° | 179.9° |
| C8 | N9 | C1' | H17 | 154.0° | 146.4° |
| N1 | C6 | C5 | N6 | 173.6° | 179.9° |
| N1 | C6 | C5 | N7 | 178.3° | 180.0° |
| C6 | N1 | C2 | H2 | 169.6° | 180.0° |
| N1 | C6 | N6 | H18 | 0.0° | 0.0° |
| N1 | C6 | N6 | H19 | 120.0° | 179.9° |
| C6 | C5 | N7 | C8 | 177.7° | 179.9° |
| C5 | C6 | N6 | H18 | 173.7° | 179.9° |
| C5 | C6 | N6 | H19 | 66.3° | 0.0° |
| N7 | C5 | C6 | N6 | 4.8° | 0.0° |
| C5 | N7 | C8 | H1 | 175.3° | 180.0° |
| C6 | N6 | H18 | H19 | 120.0° | 179.9° |
| H4 | CA | N | H5 | 66.7° | 180.0° |
| H4 | CA | N | H6 | 53.3° | 56.0° |
| H4 | CA | CB | H8 | 164.5° | 180.0° |
| H4 | CA | CB | H9 | 45.7° | 59.9° |
| H10 | C5' | C4' | H12 | 158.4° | 174.5° |
| H11 | C5' | C4' | H12 | 82.6° | 65.5° |
| H12 | C4' | C3' | H13 | 170.1° | 123.8° |
| H13 | C3' | O3' | H14 | 58.3° | 57.4° |
| H13 | C3' | C2' | H15 | 34.6° | 21.4° |
| H15 | C2' | O2' | H16 | 55.9° | 62.2° |
| H15 | C2' | C1' | H17 | 112.3° | 160.4° |
