QNW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C4 | sing | 1.36Å | 1.38Å | |
| C51 | C5 | sing | 1.51Å | 1.52Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| O3 | C3 | sing | 1.36Å | 1.37Å | |
| 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 | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.39Å | 1.40Å | Aromatic |
| C2 | SG | sing | 1.76Å | 1.72Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| CB | SG | sing | 1.81Å | 1.80Å | |
| CB | CA | sing | 1.53Å | 1.50Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| N | H3 | sing | 1.01Å | 1.00Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| CA | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| O3 | H10 | sing | 0.97Å | 0.95Å | |
| O4 | H11 | sing | 0.97Å | 0.95Å | |
| C51 | H12 | sing | 1.09Å | 1.10Å | |
| C51 | H13 | sing | 1.09Å | 1.10Å | |
| C51 | H14 | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.29Å | |
| OXT | H2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C4 | C5 | 120.5° | 120.0° |
| O4 | C4 | C3 | 117.9° | 120.0° |
| C4 | O4 | H11 | 109.5° | 114.0° |
| C51 | C5 | C4 | 121.2° | 119.9° |
| C51 | C5 | C6 | 117.3° | 119.9° |
| C5 | C51 | H12 | 109.5° | 109.5° |
| C5 | C51 | H13 | 109.4° | 109.5° |
| C5 | C51 | H14 | 109.5° | 109.4° |
| C5 | C4 | C3 | 121.6° | 119.9° |
| C4 | C5 | C6 | 121.5° | 120.1° |
| C4 | C3 | O3 | 120.5° | 120.1° |
| C4 | C3 | C2 | 118.0° | 119.8° |
| O3 | C3 | C2 | 121.4° | 120.1° |
| C3 | O3 | H10 | 109.5° | 113.9° |
| C5 | C6 | C1 | 117.2° | 120.2° |
| C5 | C6 | H6 | 121.4° | 119.9° |
| C3 | C2 | C1 | 120.4° | 119.9° |
| C3 | C2 | SG | 120.1° | 120.0° |
| O | C | CA | 120.2° | 120.0° |
| O | C | OXT | 118.3° | 120.0° |
| C6 | C1 | C2 | 121.3° | 120.1° |
| C6 | C1 | H1 | 119.4° | 119.9° |
| C1 | C6 | H6 | 121.4° | 119.9° |
| C1 | C2 | SG | 119.4° | 120.1° |
| C2 | C1 | H1 | 119.3° | 120.0° |
| C2 | SG | CB | 100.5° | 103.0° |
| C | CA | CB | 108.9° | 109.5° |
| C | CA | N | 111.8° | 109.4° |
| C | CA | H7 | 108.7° | 109.5° |
| CA | C | OXT | 121.5° | 120.0° |
| SG | CB | CA | 108.8° | 109.5° |
| SG | CB | H8 | 109.6° | 109.5° |
| SG | CB | H9 | 109.7° | 109.5° |
| CB | CA | N | 109.2° | 109.5° |
| CB | CA | H7 | 109.0° | 109.5° |
| CA | CB | H8 | 109.6° | 109.5° |
| CA | CB | H9 | 109.6° | 109.5° |
| CA | N | H3 | 109.5° | 111.0° |
| CA | N | H4 | 109.5° | 111.0° |
| N | CA | H7 | 109.1° | 109.5° |
| H3 | N | H4 | 109.5° | 111.0° |
| H8 | CB | H9 | 109.5° | 109.4° |
| H12 | C51 | H13 | 109.4° | 109.5° |
| H12 | C51 | H14 | 109.4° | 109.4° |
| H13 | C51 | H14 | 109.5° | 109.5° |
| C | OXT | H2 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C4 | C5 | C51 | 0.9° | 0.3° |
| O4 | C4 | C5 | C3 | 177.3° | 179.8° |
| O4 | C4 | C3 | O3 | 1.7° | 0.2° |
| O4 | C4 | C5 | C6 | 179.7° | 180.0° |
| O4 | C4 | C3 | C2 | 179.2° | 179.7° |
| C51 | C5 | C4 | C6 | 178.8° | 179.7° |
| C51 | C5 | C4 | C3 | 178.2° | 180.0° |
| C51 | C5 | C6 | C1 | 178.6° | 179.7° |
| C51 | C5 | C6 | H6 | 1.4° | 0.2° |
| C5 | C51 | H12 | H13 | 120.0° | 120.1° |
| C5 | C51 | H12 | H14 | 120.0° | 119.9° |
| C5 | C51 | H13 | H14 | 120.0° | 119.9° |
| C5 | C4 | C3 | O3 | 179.0° | 180.0° |
| C5 | C4 | C3 | C2 | 1.8° | 0.1° |
| C4 | C5 | C6 | C1 | 2.6° | 0.5° |
| C4 | C5 | C6 | H6 | 177.4° | 180.0° |
| C5 | C4 | O4 | H11 | 180.0° | 90.1° |
| C4 | C5 | C51 | H12 | 90.6° | 90.0° |
| C4 | C5 | C51 | H13 | 149.4° | 149.9° |
| C4 | C5 | C51 | H14 | 29.4° | 30.0° |
| C4 | C3 | O3 | C2 | 179.1° | 179.9° |
| C3 | C4 | C5 | C6 | 3.1° | 0.2° |
| C4 | C3 | C2 | C1 | 0.3° | 0.1° |
| C4 | C3 | C2 | SG | 178.0° | 179.9° |
| C4 | C3 | O3 | H10 | 180.0° | 90.1° |
| C3 | C4 | O4 | H11 | 2.6° | 89.7° |
| O3 | C3 | C2 | C1 | 179.4° | 180.0° |
| O3 | C3 | C2 | SG | 1.1° | 0.1° |
| C5 | C6 | C1 | H6 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 1.0° | 0.5° |
| C5 | C6 | C1 | H1 | 179.0° | 179.7° |
| C6 | C5 | C51 | H12 | 90.5° | 89.8° |
| C6 | C5 | C51 | H13 | 29.4° | 30.3° |
| C6 | C5 | C51 | H14 | 149.5° | 150.3° |
| C3 | C2 | C1 | C6 | 0.1° | 0.2° |
| C3 | C2 | C1 | SG | 178.3° | 179.9° |
| C3 | C2 | SG | CB | 68.3° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C2 | C3 | O3 | H10 | 0.9° | 90.1° |
| O | C | CA | OXT | 178.7° | 180.0° |
| O | C | CA | CB | 86.3° | 100.0° |
| O | C | CA | N | 153.0° | 20.0° |
| O | C | CA | H7 | 32.4° | 140.0° |
| O | C | OXT | H2 | 0.0° | 0.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.8° |
| C6 | C1 | C2 | SG | 178.4° | 179.8° |
| C1 | C2 | SG | CB | 113.4° | 0.0° |
| C2 | C1 | C6 | H6 | 179.0° | 180.0° |
| C2 | SG | CB | CA | 76.1° | 180.0° |
| SG | C2 | C1 | H1 | 1.6° | 0.1° |
| C2 | SG | CB | H8 | 43.7° | 60.0° |
| C2 | SG | CB | H9 | 164.0° | 60.0° |
| C | CA | CB | SG | 166.9° | 180.0° |
| C | CA | CB | N | 122.3° | 120.0° |
| C | CA | CB | H7 | 118.5° | 120.0° |
| C | CA | N | H7 | 120.3° | 120.0° |
| C | CA | N | H3 | 180.0° | 64.0° |
| C | CA | N | H4 | 60.0° | 60.0° |
| C | CA | CB | H8 | 47.0° | 60.0° |
| C | CA | CB | H9 | 73.2° | 60.0° |
| CA | C | OXT | H2 | 178.7° | 180.0° |
| SG | CB | CA | H8 | 119.9° | 120.0° |
| SG | CB | CA | H9 | 119.9° | 120.0° |
| SG | CB | CA | N | 70.8° | 60.0° |
| SG | CB | CA | H7 | 48.4° | 60.0° |
| SG | CB | H8 | H9 | 120.3° | 120.0° |
| CB | CA | N | H7 | 119.1° | 120.0° |
| CB | CA | N | H3 | 59.4° | 176.1° |
| CB | CA | N | H4 | 179.5° | 60.0° |
| CA | CB | H8 | H9 | 120.3° | 120.0° |
| CB | CA | C | OXT | 92.4° | 80.0° |
| CA | N | H3 | H4 | 120.0° | 123.9° |
| N | CA | CB | H8 | 169.3° | 60.0° |
| N | CA | CB | H9 | 49.1° | 179.9° |
| N | CA | C | OXT | 28.4° | 160.0° |
| H1 | C1 | C6 | H6 | 1.0° | 0.2° |
| H3 | N | CA | H7 | 59.7° | 56.0° |
| H4 | N | CA | H7 | 60.3° | 180.0° |
| H7 | CA | CB | H8 | 71.5° | 180.0° |
| H7 | CA | CB | H9 | 168.3° | 60.0° |
| H7 | CA | C | OXT | 148.9° | 40.0° |
| H12 | C51 | H13 | H14 | 120.0° | 120.0° |
