QO5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.36Å | 1.40Å | |
| C51 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.36Å | |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C2 | doub | 1.39Å | 1.40Å | Aromatic |
| O | C | doub | 1.21Å | 1.26Å | |
| C6 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | SG | sing | 1.76Å | 1.72Å | |
| C | CA | sing | 1.51Å | 1.52Å | |
| CB | SG | sing | 1.81Å | 1.83Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| C1 | C11 | sing | 1.51Å | 1.52Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C11 | H2 | sing | 1.09Å | 1.10Å | |
| C11 | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| N | H5 | sing | 1.01Å | 1.00Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H11 | sing | 0.97Å | 0.95Å | |
| O4 | H12 | sing | 0.97Å | 0.95Å | |
| C6 | H13 | sing | 1.08Å | 1.08Å | |
| C51 | H14 | sing | 1.09Å | 1.10Å | |
| C51 | H15 | sing | 1.09Å | 1.10Å | |
| C51 | H16 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.31Å | |
| OXT | H6 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 124.2° | 120.0° |
| O4 | C4 | C3 | 116.5° | 120.0° |
| C4 | O4 | H12 | 109.5° | 114.1° |
| C51 | C5 | C4 | 122.6° | 120.0° |
| C51 | C5 | C6 | 117.3° | 119.9° |
| C5 | C51 | H14 | 109.5° | 109.5° |
| C5 | C51 | H15 | 109.5° | 109.4° |
| C5 | C51 | H16 | 109.5° | 109.4° |
| C5 | C4 | C3 | 119.2° | 119.9° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C4 | C3 | O3 | 118.5° | 120.1° |
| C4 | C3 | C2 | 121.5° | 119.8° |
| O3 | C3 | C2 | 120.0° | 120.1° |
| C3 | O3 | H11 | 109.5° | 114.0° |
| C5 | C6 | C1 | 120.4° | 120.2° |
| C5 | C6 | H13 | 119.8° | 119.9° |
| C3 | C2 | C1 | 119.2° | 119.9° |
| C3 | C2 | SG | 117.7° | 120.1° |
| O | C | CA | 117.7° | 120.0° |
| O | C | OXT | 120.8° | 120.0° |
| C6 | C1 | C2 | 119.5° | 120.0° |
| C6 | C1 | C11 | 120.7° | 120.0° |
| C1 | C6 | H13 | 119.7° | 119.9° |
| C1 | C2 | SG | 123.1° | 120.0° |
| C2 | C1 | C11 | 119.8° | 120.0° |
| C2 | SG | CB | 101.3° | 103.0° |
| C | CA | CB | 108.3° | 109.5° |
| C | CA | N | 112.5° | 109.5° |
| C | CA | H7 | 108.4° | 109.5° |
| CA | C | OXT | 121.2° | 120.0° |
| SG | CB | CA | 107.6° | 109.5° |
| SG | CB | H8 | 109.9° | 109.5° |
| SG | CB | H9 | 109.9° | 109.4° |
| CB | CA | N | 110.2° | 109.4° |
| CB | CA | H7 | 108.5° | 109.5° |
| CA | CB | H8 | 109.9° | 109.5° |
| CA | CB | H9 | 109.9° | 109.4° |
| C1 | C11 | H1 | 109.5° | 109.5° |
| C1 | C11 | H2 | 109.5° | 109.5° |
| C1 | C11 | H3 | 109.5° | 109.5° |
| CA | N | H4 | 109.5° | 111.0° |
| CA | N | H5 | 109.4° | 111.0° |
| N | CA | H7 | 108.8° | 109.5° |
| H1 | C11 | H2 | 109.5° | 109.5° |
| H1 | C11 | H3 | 109.4° | 109.5° |
| H2 | C11 | H3 | 109.5° | 109.4° |
| H4 | N | H5 | 109.5° | 111.0° |
| H8 | CB | H9 | 109.5° | 109.4° |
| H14 | C51 | H15 | 109.4° | 109.5° |
| H14 | C51 | H16 | 109.5° | 109.5° |
| H15 | C51 | H16 | 109.5° | 109.5° |
| C | OXT | H6 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C51 | 1.2° | 0.3° |
| O4 | C4 | C5 | C3 | 179.9° | 179.7° |
| O4 | C4 | C3 | O3 | 2.0° | 0.3° |
| O4 | C4 | C5 | C6 | 178.9° | 180.0° |
| O4 | C4 | C3 | C2 | 179.2° | 179.7° |
| C51 | C5 | C4 | C6 | 179.9° | 179.7° |
| C51 | C5 | C4 | C3 | 178.8° | 180.0° |
| C51 | C5 | C6 | C1 | 178.1° | 179.8° |
| C51 | C5 | C6 | H13 | 1.9° | 0.3° |
| C5 | C51 | H14 | H15 | 120.0° | 120.0° |
| C5 | C51 | H14 | H16 | 120.0° | 120.0° |
| C5 | C51 | H15 | H16 | 120.0° | 119.9° |
| C5 | C4 | C3 | O3 | 178.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.0° |
| C4 | C5 | C6 | C1 | 1.8° | 0.5° |
| C5 | C4 | O4 | H12 | 180.0° | 90.0° |
| C4 | C5 | C6 | H13 | 178.2° | 180.0° |
| C4 | C5 | C51 | H14 | 90.0° | 90.0° |
| C4 | C5 | C51 | H15 | 150.1° | 150.0° |
| C4 | C5 | C51 | H16 | 30.0° | 30.0° |
| C4 | C3 | O3 | C2 | 178.8° | 180.0° |
| C3 | C4 | C5 | C6 | 1.1° | 0.3° |
| C4 | C3 | C2 | C1 | 1.1° | 0.0° |
| C4 | C3 | C2 | SG | 179.1° | 179.9° |
| C4 | C3 | O3 | H11 | 180.0° | 90.0° |
| C3 | C4 | O4 | H12 | 0.1° | 89.7° |
| O3 | C3 | C2 | C1 | 177.7° | 180.0° |
| O3 | C3 | C2 | SG | 2.1° | 0.1° |
| C5 | C6 | C1 | H13 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 2.1° | 0.5° |
| C5 | C6 | C1 | C11 | 178.3° | 179.7° |
| C6 | C5 | C51 | H14 | 90.0° | 89.7° |
| C6 | C5 | C51 | H15 | 30.0° | 30.3° |
| C6 | C5 | C51 | H16 | 150.1° | 150.3° |
| C3 | C2 | C1 | C6 | 1.7° | 0.2° |
| C3 | C2 | C1 | SG | 179.8° | 179.9° |
| C3 | C2 | SG | CB | 69.9° | 90.0° |
| C3 | C2 | C1 | C11 | 178.6° | 180.0° |
| C2 | C3 | O3 | H11 | 1.2° | 90.0° |
| O | C | CA | OXT | 174.1° | 179.9° |
| O | C | CA | CB | 85.3° | 99.9° |
| O | C | CA | N | 152.6° | 20.0° |
| O | C | CA | H7 | 32.2° | 140.0° |
| O | C | OXT | H6 | 0.0° | 0.1° |
| C6 | C1 | C2 | C11 | 179.7° | 179.8° |
| C6 | C1 | C2 | SG | 178.5° | 179.8° |
| C6 | C1 | C11 | H1 | 90.2° | 90.2° |
| C6 | C1 | C11 | H2 | 149.8° | 29.8° |
| C6 | C1 | C11 | H3 | 29.8° | 149.7° |
| C1 | C2 | SG | CB | 109.8° | 90.0° |
| C2 | C1 | C11 | H1 | 90.2° | 90.0° |
| C2 | C1 | C11 | H2 | 29.8° | 150.0° |
| C2 | C1 | C11 | H3 | 149.8° | 30.0° |
| C2 | C1 | C6 | H13 | 177.9° | 180.0° |
| C2 | SG | CB | CA | 77.3° | 180.0° |
| SG | C2 | C1 | C11 | 1.1° | 0.1° |
| C2 | SG | CB | H8 | 42.4° | 60.0° |
| C2 | SG | CB | H9 | 163.0° | 60.0° |
| C | CA | CB | SG | 167.4° | 180.0° |
| C | CA | CB | N | 123.5° | 120.0° |
| C | CA | CB | H7 | 117.4° | 120.0° |
| C | CA | N | H7 | 120.1° | 120.0° |
| C | CA | N | H4 | 180.0° | 64.0° |
| C | CA | N | H5 | 60.0° | 60.0° |
| C | CA | CB | H8 | 47.7° | 59.9° |
| C | CA | CB | H9 | 72.9° | 60.0° |
| CA | C | OXT | H6 | 174.0° | 180.0° |
| SG | CB | CA | H8 | 119.7° | 120.1° |
| SG | CB | CA | H9 | 119.7° | 120.0° |
| SG | CB | CA | N | 69.1° | 60.1° |
| SG | CB | CA | H7 | 49.9° | 60.0° |
| SG | CB | H8 | H9 | 120.8° | 120.0° |
| CB | CA | N | H7 | 118.9° | 120.0° |
| CB | CA | N | H4 | 59.0° | 176.0° |
| CB | CA | N | H5 | 179.0° | 60.0° |
| CA | CB | H8 | H9 | 120.8° | 120.0° |
| CB | CA | C | OXT | 88.8° | 80.0° |
| C1 | C11 | H1 | H2 | 120.0° | 120.0° |
| C1 | C11 | H1 | H3 | 120.0° | 120.0° |
| C1 | C11 | H2 | H3 | 120.0° | 120.0° |
| C11 | C1 | C6 | H13 | 1.7° | 0.2° |
| CA | N | H4 | H5 | 120.0° | 124.0° |
| N | CA | CB | H8 | 171.2° | 60.0° |
| N | CA | CB | H9 | 50.6° | 180.0° |
| N | CA | C | OXT | 33.3° | 160.1° |
| H1 | C11 | H2 | H3 | 119.9° | 120.0° |
| H4 | N | CA | H7 | 59.9° | 56.0° |
| H5 | N | CA | H7 | 60.1° | 180.0° |
| H7 | CA | CB | H8 | 69.8° | 180.0° |
| H7 | CA | CB | H9 | 169.7° | 60.0° |
| H7 | CA | C | OXT | 153.7° | 40.0° |
| H14 | C51 | H15 | H16 | 120.0° | 120.1° |
