QO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.36Å | 1.37Å | |
| O3 | C3 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C51 | C5 | sing | 1.51Å | 1.53Å | |
| C3 | C2 | sing | 1.39Å | 1.42Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.43Å | Aromatic |
| O | C | sing | 1.43Å | 1.24Å | |
| C2 | SG | sing | 1.76Å | 1.73Å | |
| C2 | C1 | doub | 1.39Å | 1.42Å | Aromatic |
| C | CA | sing | 1.53Å | 1.50Å | |
| CB | SG | sing | 1.81Å | 1.76Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| C6 | C1 | sing | 1.38Å | 1.41Å | Aromatic |
| C6 | C7 | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| O | H4 | sing | 0.97Å | 0.95Å | |
| O3 | H5 | sing | 0.97Å | 0.95Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C7 | H9 | sing | 1.09Å | 1.10Å | |
| N | H10 | sing | 1.01Å | 1.00Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| CA | H13 | sing | 1.09Å | 1.10Å | |
| CB | H14 | sing | 1.09Å | 1.10Å | |
| CB | H15 | sing | 1.09Å | 1.10Å | |
| C51 | H16 | sing | 1.09Å | 1.10Å | |
| C51 | H17 | sing | 1.09Å | 1.10Å | |
| C51 | H18 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.43Å | 1.27Å | |
| OXT | H3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C3 | 113.4° | 120.1° |
| O4 | C4 | C5 | 125.3° | 120.0° |
| C4 | O4 | H6 | 109.5° | 114.0° |
| O3 | C3 | C4 | 114.8° | 120.1° |
| O3 | C3 | C2 | 124.5° | 120.1° |
| C3 | O3 | H5 | 109.5° | 114.0° |
| C3 | C4 | C5 | 121.4° | 119.9° |
| C4 | C3 | C2 | 120.6° | 119.8° |
| C4 | C5 | C51 | 118.4° | 119.9° |
| C4 | C5 | C6 | 118.7° | 120.1° |
| C51 | C5 | C6 | 122.9° | 120.0° |
| C5 | C51 | H16 | 109.5° | 109.5° |
| C5 | C51 | H17 | 109.5° | 109.4° |
| C5 | C51 | H18 | 109.5° | 109.5° |
| C3 | C2 | SG | 121.6° | 120.0° |
| C3 | C2 | C1 | 118.2° | 119.9° |
| C5 | C6 | C1 | 119.5° | 120.2° |
| C5 | C6 | C7 | 124.8° | 119.9° |
| O | C | CA | 113.6° | 109.5° |
| O | C | H2 | 101.3° | 109.5° |
| C | O | H4 | 109.5° | 114.0° |
| O | C | OXT | 95.3° | 109.5° |
| SG | C2 | C1 | 120.2° | 120.1° |
| C2 | SG | CB | 114.7° | 103.0° |
| C2 | C1 | C6 | 121.7° | 120.1° |
| C2 | C1 | H1 | 119.2° | 120.0° |
| C | CA | CB | 112.4° | 109.4° |
| C | CA | N | 111.5° | 109.5° |
| CA | C | H2 | 99.3° | 109.5° |
| C | CA | H13 | 105.9° | 109.5° |
| CA | C | OXT | 140.3° | 109.4° |
| SG | CB | CA | 103.8° | 109.5° |
| SG | CB | H14 | 110.8° | 109.5° |
| SG | CB | H15 | 110.9° | 109.5° |
| CB | CA | N | 114.7° | 109.5° |
| CB | CA | H13 | 105.6° | 109.5° |
| CA | CB | H14 | 110.9° | 109.5° |
| CA | CB | H15 | 110.9° | 109.5° |
| C1 | C6 | C7 | 115.7° | 119.9° |
| C6 | C1 | H1 | 119.2° | 120.0° |
| C6 | C7 | H7 | 109.5° | 109.4° |
| C6 | C7 | H8 | 109.5° | 109.4° |
| C6 | C7 | H9 | 109.5° | 109.5° |
| CA | N | H10 | 109.5° | 111.0° |
| CA | N | H11 | 109.4° | 111.0° |
| N | CA | H13 | 106.0° | 109.5° |
| H2 | C | OXT | 101.0° | 109.5° |
| H7 | C7 | H8 | 109.5° | 109.6° |
| H7 | C7 | H9 | 109.4° | 109.5° |
| H8 | C7 | H9 | 109.5° | 109.5° |
| H10 | N | H11 | 109.5° | 111.0° |
| H14 | CB | H15 | 109.5° | 109.5° |
| H16 | C51 | H17 | 109.5° | 109.4° |
| H16 | C51 | H18 | 109.4° | 109.5° |
| H17 | C51 | H18 | 109.5° | 109.4° |
| C | OXT | H3 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C3 | O3 | 0.6° | 0.0° |
| O4 | C4 | C3 | C5 | 179.7° | 180.0° |
| O4 | C4 | C5 | C51 | 0.9° | 0.0° |
| O4 | C4 | C3 | C2 | 179.6° | 180.0° |
| O4 | C4 | C5 | C6 | 179.3° | 179.7° |
| O3 | C3 | C4 | C2 | 179.9° | 179.9° |
| O3 | C3 | C4 | C5 | 179.7° | 180.0° |
| O3 | C3 | C2 | SG | 0.0° | 0.0° |
| O3 | C3 | C2 | C1 | 179.6° | 180.0° |
| C3 | C4 | C5 | C51 | 179.4° | 180.0° |
| C3 | C4 | C5 | C6 | 0.4° | 0.4° |
| C4 | C3 | C2 | SG | 179.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.0° |
| C4 | C3 | O3 | H5 | 180.0° | 89.9° |
| C3 | C4 | O4 | H6 | 180.0° | 90.0° |
| C4 | C5 | C51 | C6 | 179.8° | 179.6° |
| C5 | C4 | C3 | C2 | 0.2° | 0.0° |
| C4 | C5 | C6 | C1 | 0.1° | 0.7° |
| C4 | C5 | C6 | C7 | 179.6° | 179.9° |
| C5 | C4 | O4 | H6 | 0.3° | 90.1° |
| C4 | C5 | C51 | H16 | 89.9° | 90.0° |
| C4 | C5 | C51 | H17 | 150.1° | 150.0° |
| C4 | C5 | C51 | H18 | 30.1° | 30.1° |
| C51 | C5 | C6 | C1 | 179.9° | 179.7° |
| C51 | C5 | C6 | C7 | 0.2° | 0.3° |
| C5 | C51 | H16 | H17 | 120.0° | 120.0° |
| C5 | C51 | H16 | H18 | 120.0° | 120.1° |
| C5 | C51 | H17 | H18 | 120.0° | 120.0° |
| C3 | C2 | SG | C1 | 179.6° | 180.0° |
| C3 | C2 | SG | CB | 92.0° | 180.0° |
| C3 | C2 | C1 | C6 | 1.0° | 0.3° |
| C3 | C2 | C1 | H1 | 179.0° | 180.0° |
| C2 | C3 | O3 | H5 | 0.1° | 90.0° |
| C5 | C6 | C1 | C2 | 0.8° | 0.6° |
| C5 | C6 | C1 | C7 | 179.7° | 179.4° |
| C5 | C6 | C1 | H1 | 179.3° | 179.7° |
| C5 | C6 | C7 | H7 | 89.8° | 90.0° |
| C5 | C6 | C7 | H8 | 150.2° | 149.9° |
| C5 | C6 | C7 | H9 | 30.2° | 30.0° |
| C6 | C5 | C51 | H16 | 89.9° | 89.7° |
| C6 | C5 | C51 | H17 | 30.1° | 30.3° |
| C6 | C5 | C51 | H18 | 150.1° | 150.3° |
| O | C | CA | H2 | 106.7° | 120.0° |
| O | C | CA | OXT | 133.2° | 120.0° |
| O | C | CA | CB | 128.7° | 65.0° |
| O | C | CA | N | 101.0° | 55.0° |
| O | C | H2 | OXT | 97.7° | 120.0° |
| O | C | CA | H13 | 13.9° | 175.0° |
| O | C | OXT | H3 | 180.0° | 60.0° |
| C2 | SG | CB | CA | 48.1° | 180.0° |
| SG | C2 | C1 | C6 | 179.3° | 179.7° |
| SG | C2 | C1 | H1 | 0.6° | 0.0° |
| C2 | SG | CB | H14 | 71.1° | 60.0° |
| C2 | SG | CB | H15 | 167.1° | 60.0° |
| C1 | C2 | SG | CB | 88.3° | 0.0° |
| C2 | C1 | C6 | H1 | 180.0° | 179.6° |
| C2 | C1 | C6 | C7 | 178.9° | 180.0° |
| C | CA | CB | SG | 160.7° | 180.0° |
| C | CA | CB | N | 128.7° | 120.0° |
| C | CA | CB | H13 | 115.0° | 120.0° |
| C | CA | N | H13 | 114.8° | 120.0° |
| CA | C | H2 | OXT | 145.7° | 120.0° |
| CA | C | O | H4 | 180.0° | 59.9° |
| C | CA | N | H10 | 180.0° | 64.0° |
| C | CA | N | H11 | 60.0° | 60.0° |
| C | CA | CB | H14 | 41.6° | 60.0° |
| C | CA | CB | H15 | 80.2° | 60.0° |
| CA | C | OXT | H3 | 42.1° | 180.0° |
| SG | CB | CA | H14 | 119.1° | 120.0° |
| SG | CB | CA | H15 | 119.1° | 120.0° |
| SG | CB | CA | N | 70.6° | 60.0° |
| SG | CB | CA | H13 | 45.7° | 60.0° |
| SG | CB | H14 | H15 | 122.6° | 120.0° |
| CB | CA | N | H13 | 116.0° | 120.0° |
| CB | CA | C | H2 | 22.0° | 55.0° |
| CB | CA | N | H10 | 50.8° | 176.0° |
| CB | CA | N | H11 | 170.8° | 60.0° |
| CA | CB | H14 | H15 | 122.6° | 120.0° |
| CB | CA | C | OXT | 98.1° | 175.0° |
| C1 | C6 | C7 | H7 | 89.9° | 90.6° |
| C1 | C6 | C7 | H8 | 30.2° | 29.4° |
| C1 | C6 | C7 | H9 | 150.2° | 149.4° |
| C7 | C6 | C1 | H1 | 1.1° | 0.3° |
| C6 | C7 | H7 | H8 | 120.0° | 120.0° |
| C6 | C7 | H7 | H9 | 120.0° | 120.0° |
| C6 | C7 | H8 | H9 | 120.0° | 120.0° |
| N | CA | C | H2 | 152.3° | 175.0° |
| CA | N | H10 | H11 | 120.0° | 124.0° |
| N | CA | CB | H14 | 170.3° | 60.0° |
| N | CA | CB | H15 | 48.5° | 180.0° |
| N | CA | C | OXT | 32.3° | 65.0° |
| H2 | C | O | H4 | 74.5° | 180.0° |
| H2 | C | CA | H13 | 92.8° | 65.0° |
| H2 | C | OXT | H3 | 77.4° | 60.0° |
| H4 | O | C | OXT | 27.8° | 60.0° |
| H7 | C7 | H8 | H9 | 119.9° | 120.1° |
| H10 | N | CA | H13 | 65.2° | 56.1° |
| H11 | N | CA | H13 | 54.8° | 180.0° |
| H13 | CA | CB | H14 | 73.4° | 180.0° |
| H13 | CA | CB | H15 | 164.8° | 60.0° |
| H13 | CA | C | OXT | 147.1° | 55.0° |
| H16 | C51 | H17 | H18 | 120.0° | 120.0° |
