Q8X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CB | SG | sing | 1.81Å | 1.80Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.51Å | |
| C3 | SG | sing | 1.81Å | 1.82Å | |
| C4 | C8 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C | O | doub | 1.21Å | 1.24Å | |
| C11 | C12 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C9 | sing | 1.48Å | 1.48Å | |
| C7 | N2 | doub | 1.33Å | 1.34Å | Aromatic |
| C9 | N3 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | N2 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| N3 | C13 | sing | 1.32Å | 1.34Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å | |
| C13 | H15 | sing | 1.08Å | 1.08Å | |
| C3 | H8 | sing | 1.09Å | 1.10Å | |
| C3 | H7 | sing | 1.09Å | 1.10Å | |
| C5 | H9 | sing | 1.08Å | 1.08Å | |
| C6 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H11 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 47.08Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 110.0° | 109.5° |
| N | CA | C | 108.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 108.1° | 109.5° |
| CB | CA | C | 115.2° | 109.4° |
| CA | CB | SG | 116.7° | 109.5° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | HB3 | 107.7° | 109.5° |
| CA | CB | HB2 | 107.7° | 109.5° |
| CA | C | O | 119.7° | 120.0° |
| C | CA | HA | 107.6° | 109.4° |
| CA | C | OXT | 89.1° | 120.0° |
| CB | SG | C3 | 102.5° | 103.0° |
| SG | CB | HB3 | 107.6° | 109.5° |
| SG | CB | HB2 | 107.6° | 109.5° |
| C6 | C5 | C4 | 119.0° | 118.5° |
| C5 | C6 | C7 | 119.5° | 119.1° |
| C6 | C5 | H9 | 120.5° | 120.7° |
| C5 | C6 | H10 | 120.3° | 120.5° |
| C5 | C4 | C3 | 120.7° | 120.3° |
| C5 | C4 | C8 | 119.5° | 119.4° |
| C4 | C5 | H9 | 120.5° | 120.8° |
| C6 | C7 | C9 | 121.4° | 119.8° |
| C6 | C7 | N2 | 120.2° | 120.5° |
| C7 | C6 | H10 | 120.3° | 120.5° |
| C4 | C3 | SG | 111.4° | 109.5° |
| C3 | C4 | C8 | 119.9° | 120.3° |
| C4 | C3 | H8 | 109.0° | 109.5° |
| C4 | C3 | H7 | 109.0° | 109.5° |
| SG | C3 | H8 | 109.0° | 109.4° |
| SG | C3 | H7 | 109.0° | 109.4° |
| C4 | C8 | N2 | 120.4° | 120.9° |
| C4 | C8 | H11 | 119.8° | 119.5° |
| C11 | C10 | C9 | 119.5° | 119.0° |
| C10 | C11 | C12 | 119.2° | 118.6° |
| C11 | C10 | H12 | 120.2° | 120.5° |
| C10 | C11 | H13 | 120.4° | 120.8° |
| C10 | C9 | C7 | 120.9° | 119.7° |
| C10 | C9 | N3 | 120.1° | 120.6° |
| C9 | C10 | H12 | 120.2° | 120.5° |
| O | C | OXT | 47.5° | 120.0° |
| C11 | C12 | C13 | 119.4° | 119.3° |
| C12 | C11 | H13 | 120.4° | 120.7° |
| C11 | C12 | H14 | 120.3° | 120.4° |
| C9 | C7 | N2 | 118.5° | 119.7° |
| C7 | C9 | N3 | 119.0° | 119.7° |
| C7 | N2 | C8 | 121.5° | 121.7° |
| C9 | N3 | C13 | 121.6° | 121.6° |
| N2 | C8 | H11 | 119.8° | 119.6° |
| C12 | C13 | N3 | 120.2° | 120.9° |
| C13 | C12 | H14 | 120.3° | 120.3° |
| C12 | C13 | H15 | 119.9° | 119.6° |
| N3 | C13 | H15 | 119.9° | 119.6° |
| H | N | H2 | 109.5° | 111.0° |
| HB3 | CB | HB2 | 109.5° | 109.5° |
| H8 | C3 | H7 | 109.5° | 109.5° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 122.4° | 120.0° |
| N | CA | CB | HA | 117.6° | 120.1° |
| N | CA | C | HA | 116.5° | 120.1° |
| N | CA | CB | SG | 89.8° | 60.0° |
| N | CA | C | O | 118.3° | 20.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB3 | 149.2° | 60.0° |
| N | CA | CB | HB2 | 31.3° | 180.0° |
| N | CA | C | OXT | 80.2° | 160.0° |
| CB | CA | C | HA | 120.1° | 120.0° |
| CA | CB | SG | HB3 | 121.1° | 120.0° |
| CA | CB | SG | HB2 | 121.0° | 120.0° |
| CA | CB | SG | C3 | 155.8° | 180.0° |
| CB | CA | C | O | 118.3° | 100.0° |
| CB | CA | N | H | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 63.9° |
| CA | CB | HB3 | HB2 | 116.7° | 120.0° |
| CB | CA | C | OXT | 156.4° | 80.0° |
| C | CA | CB | SG | 32.6° | 180.0° |
| CA | C | O | OXT | 56.8° | 180.0° |
| C | CA | N | H | 53.5° | 60.0° |
| C | CA | N | H2 | 66.5° | 176.1° |
| C | CA | CB | HB3 | 88.4° | 60.0° |
| C | CA | CB | HB2 | 153.7° | 60.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| CB | SG | C3 | C4 | 137.9° | 180.0° |
| SG | CB | CA | HA | 152.6° | 60.1° |
| SG | CB | HB3 | HB2 | 116.7° | 120.0° |
| CB | SG | C3 | H8 | 17.6° | 60.0° |
| CB | SG | C3 | H7 | 101.8° | 60.0° |
| C6 | C5 | C4 | H9 | 180.0° | 179.9° |
| C5 | C6 | C7 | H10 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 179.0° | 180.0° |
| C6 | C5 | C4 | C8 | 0.1° | 0.3° |
| C5 | C6 | C7 | C9 | 180.0° | 180.0° |
| C5 | C6 | C7 | N2 | 0.2° | 0.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.0° |
| C5 | C4 | C3 | C8 | 178.9° | 179.7° |
| C5 | C4 | C3 | SG | 127.3° | 89.7° |
| C5 | C4 | C8 | N2 | 0.5° | 0.6° |
| C5 | C4 | C3 | H8 | 7.1° | 150.3° |
| C5 | C4 | C3 | H7 | 112.4° | 30.3° |
| C4 | C5 | C6 | H10 | 179.8° | 180.0° |
| C5 | C4 | C8 | H11 | 179.5° | 179.7° |
| C6 | C7 | C9 | C10 | 0.4° | 180.0° |
| C6 | C7 | C9 | N2 | 179.8° | 180.0° |
| C6 | C7 | C9 | N3 | 179.5° | 0.0° |
| C6 | C7 | N2 | C8 | 0.1° | 0.3° |
| C7 | C6 | C5 | H9 | 179.8° | 180.0° |
| C4 | C3 | SG | H8 | 120.3° | 120.0° |
| C4 | C3 | SG | H7 | 120.3° | 120.0° |
| C3 | C4 | C8 | N2 | 179.4° | 179.7° |
| C4 | C3 | H8 | H7 | 119.1° | 120.0° |
| C3 | C4 | C5 | H9 | 1.0° | 0.1° |
| C3 | C4 | C8 | H11 | 0.6° | 0.0° |
| SG | C3 | C4 | C8 | 51.6° | 90.0° |
| C3 | SG | CB | HB3 | 83.1° | 60.0° |
| C3 | SG | CB | HB2 | 34.8° | 60.0° |
| SG | C3 | H8 | H7 | 119.1° | 119.9° |
| C4 | C8 | N2 | C7 | 0.5° | 0.6° |
| C4 | C8 | N2 | H11 | 180.0° | 179.7° |
| C8 | C4 | C3 | H8 | 171.8° | 30.0° |
| C8 | C4 | C3 | H7 | 68.7° | 150.0° |
| C8 | C4 | C5 | H9 | 179.9° | 179.7° |
| C11 | C10 | C9 | H12 | 180.0° | 179.6° |
| C10 | C11 | C12 | H13 | 180.0° | 179.9° |
| C11 | C10 | C9 | C7 | 179.8° | 180.0° |
| C11 | C10 | C9 | N3 | 0.3° | 0.0° |
| C10 | C11 | C12 | C13 | 0.2° | 0.1° |
| C10 | C11 | C12 | H14 | 179.7° | 180.0° |
| C9 | C10 | C11 | C12 | 0.2° | 0.1° |
| C10 | C9 | C7 | N3 | 179.9° | 180.0° |
| C10 | C9 | C7 | N2 | 179.8° | 0.0° |
| C10 | C9 | N3 | C13 | 0.6° | 0.0° |
| C9 | C10 | C11 | H13 | 179.8° | 179.9° |
| O | C | CA | HA | 1.8° | 140.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
| C11 | C12 | C13 | H14 | 180.0° | 179.9° |
| C11 | C12 | C13 | N3 | 0.5° | 0.1° |
| C12 | C11 | C10 | H12 | 179.9° | 179.7° |
| C11 | C12 | C13 | H15 | 179.5° | 180.0° |
| C9 | C7 | N2 | C8 | 179.7° | 179.7° |
| C7 | C9 | N3 | C13 | 179.5° | 180.0° |
| C7 | C9 | C10 | H12 | 0.2° | 0.3° |
| C9 | C7 | C6 | H10 | 0.0° | 0.0° |
| N2 | C7 | C9 | N3 | 0.3° | 180.0° |
| N2 | C7 | C6 | H10 | 179.8° | 180.0° |
| C7 | N2 | C8 | H11 | 179.5° | 179.7° |
| C9 | N3 | C13 | C12 | 0.7° | 0.0° |
| N3 | C9 | C10 | H12 | 179.7° | 179.7° |
| C9 | N3 | C13 | H15 | 179.3° | 180.0° |
| C12 | C13 | N3 | H15 | 180.0° | 179.9° |
| C13 | C12 | C11 | H13 | 179.7° | 180.0° |
| N3 | C13 | C12 | H14 | 179.5° | 180.0° |
| H | N | CA | HA | 62.7° | 179.9° |
| H2 | N | CA | HA | 177.3° | 56.1° |
| HA | CA | CB | HB3 | 31.6° | 179.9° |
| HA | CA | CB | HB2 | 86.3° | 59.9° |
| HA | CA | C | OXT | 36.3° | 39.9° |
| H12 | C10 | C11 | H13 | 0.1° | 0.4° |
| H13 | C11 | C12 | H14 | 0.3° | 0.1° |
| H14 | C12 | C13 | H15 | 0.5° | 0.1° |
| H9 | C5 | C6 | H10 | 0.2° | 0.0° |
