QUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | C10 | sing | 1.48Å | 1.41Å | |
| C10 | C9 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | N11 | sing | 1.32Å | 1.36Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C7 | doub | 1.33Å | 1.35Å | Aromatic |
| C8 | OB | sing | 1.36Å | 1.38Å | |
| C8 | C6 | doub | 1.41Å | 1.40Å | Aromatic |
| CE | CD | sing | 1.53Å | 1.53Å | |
| C7 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| C7 | CA | sing | 1.42Å | 1.41Å | Aromatic |
| CG | OB | sing | 1.43Å | 1.44Å | |
| CG | CD | sing | 1.53Å | 1.54Å | |
| N | CA | sing | 1.39Å | 1.38Å | |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| CA | C3 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.36Å | 1.39Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C | OXT | sing | 1.35Å | 1.35Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C9 | H3 | sing | 1.08Å | 1.08Å | |
| C5 | H4 | sing | 1.08Å | 1.08Å | |
| C4 | H5 | sing | 1.08Å | 1.08Å | |
| C3 | H6 | sing | 1.08Å | 1.08Å | |
| CG | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CD | H9 | sing | 1.09Å | 1.10Å | |
| CD | H10 | sing | 1.09Å | 1.10Å | |
| CE | H11 | sing | 1.09Å | 1.10Å | |
| CE | H12 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CE | N1 | sing | 1.47Å | 52.31Å | |
| N1 | H13 | sing | 1.01Å | 0.00Å | |
| N1 | H15 | sing | 1.01Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C10 | 119.8° | 120.0° |
| O | C | OXT | 123.8° | 120.0° |
| C | C10 | C9 | 123.0° | 119.2° |
| C | C10 | N11 | 118.7° | 119.3° |
| C10 | C | OXT | 116.4° | 120.0° |
| C9 | C10 | N11 | 118.1° | 121.5° |
| C10 | C9 | C8 | 119.9° | 119.6° |
| C10 | C9 | H3 | 120.0° | 120.2° |
| C10 | N11 | C7 | 124.4° | 121.7° |
| C9 | C8 | OB | 122.7° | 121.0° |
| C9 | C8 | C6 | 119.1° | 118.0° |
| C8 | C9 | H3 | 120.1° | 120.2° |
| N11 | C7 | C6 | 118.4° | 120.2° |
| N11 | C7 | CA | 119.4° | 120.9° |
| OB | C8 | C6 | 118.1° | 121.0° |
| C8 | OB | CG | 127.1° | 117.0° |
| C8 | C6 | C7 | 120.0° | 119.1° |
| C8 | C6 | C5 | 121.7° | 121.1° |
| CE | CD | CG | 113.3° | 109.4° |
| CE | CD | H9 | 108.5° | 109.4° |
| CE | CD | H10 | 108.5° | 109.5° |
| CD | CE | H11 | 125.0° | 109.5° |
| CD | CE | H12 | 125.0° | 109.5° |
| CD | CE | N1 | 12.3° | 109.5° |
| C6 | C7 | CA | 122.2° | 119.0° |
| C7 | C6 | C5 | 118.3° | 119.8° |
| C7 | CA | N | 116.6° | 120.3° |
| C7 | CA | C3 | 118.0° | 119.5° |
| OB | CG | CD | 107.8° | 109.5° |
| OB | CG | H7 | 109.9° | 109.5° |
| OB | CG | H8 | 109.9° | 109.5° |
| CD | CG | H7 | 109.9° | 109.5° |
| CD | CG | H8 | 109.9° | 109.5° |
| CG | CD | H9 | 108.5° | 109.4° |
| CG | CD | H10 | 108.5° | 109.5° |
| N | CA | C3 | 125.2° | 120.3° |
| CA | N | H | 109.5° | 120.0° |
| CA | N | H2 | 109.4° | 120.0° |
| C6 | C5 | C4 | 120.3° | 119.9° |
| C6 | C5 | H4 | 119.9° | 120.0° |
| CA | C3 | C4 | 119.9° | 120.8° |
| CA | C3 | H6 | 120.1° | 119.6° |
| C5 | C4 | C3 | 121.2° | 121.0° |
| C4 | C5 | H4 | 119.9° | 120.0° |
| C5 | C4 | H5 | 119.4° | 119.5° |
| C3 | C4 | H5 | 119.4° | 119.5° |
| C4 | C3 | H6 | 120.0° | 119.6° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 120.0° |
| H7 | CG | H8 | 109.5° | 109.5° |
| H9 | CD | H10 | 109.4° | 109.6° |
| H11 | CE | H12 | 109.5° | 109.5° |
| H11 | CE | N1 | 125.0° | 109.5° |
| H12 | CE | N1 | 125.0° | 109.5° |
| CE | N1 | H13 | 90.0° | 111.0° |
| CE | N1 | H15 | 90.0° | 111.0° |
| H13 | N1 | H15 | 90.0° | 111.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C10 | OXT | 177.6° | 179.8° |
| O | C | C10 | C9 | 17.7° | 0.1° |
| O | C | C10 | N11 | 166.8° | 179.7° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | C10 | C9 | N11 | 175.5° | 179.8° |
| C | C10 | C9 | C8 | 177.0° | 180.0° |
| C | C10 | N11 | C7 | 176.7° | 180.0° |
| C | C10 | C9 | H3 | 3.1° | 0.1° |
| C10 | C | OXT | HXT | 177.5° | 179.7° |
| C10 | C9 | C8 | H3 | 180.0° | 179.9° |
| C9 | C10 | N11 | C7 | 1.0° | 0.2° |
| C10 | C9 | C8 | OB | 178.9° | 180.0° |
| C10 | C9 | C8 | C6 | 1.4° | 0.0° |
| C9 | C10 | C | OXT | 159.9° | 179.8° |
| N11 | C10 | C9 | C8 | 1.4° | 0.3° |
| C10 | N11 | C7 | C6 | 0.4° | 0.1° |
| C10 | N11 | C7 | CA | 178.9° | 180.0° |
| N11 | C10 | C | OXT | 15.6° | 0.5° |
| N11 | C10 | C9 | H3 | 178.6° | 179.7° |
| C9 | C8 | OB | C6 | 179.7° | 180.0° |
| C9 | C8 | C6 | C7 | 0.8° | 0.3° |
| C9 | C8 | OB | CG | 10.4° | 0.0° |
| C9 | C8 | C6 | C5 | 179.1° | 179.9° |
| N11 | C7 | C6 | C8 | 0.3° | 0.3° |
| N11 | C7 | C6 | CA | 178.5° | 179.9° |
| N11 | C7 | CA | N | 2.8° | 0.1° |
| N11 | C7 | C6 | C5 | 179.6° | 179.9° |
| N11 | C7 | CA | C3 | 177.9° | 179.9° |
| OB | C8 | C6 | C7 | 179.5° | 179.7° |
| C8 | OB | CG | CD | 175.6° | 180.0° |
| OB | C8 | C6 | C5 | 0.6° | 0.0° |
| OB | C8 | C9 | H3 | 1.0° | 0.1° |
| C8 | OB | CG | H7 | 55.8° | 60.0° |
| C8 | OB | CG | H8 | 64.7° | 60.0° |
| C8 | C6 | C7 | C5 | 179.9° | 179.8° |
| C8 | C6 | C7 | CA | 178.8° | 179.8° |
| C6 | C8 | OB | CG | 169.9° | 180.0° |
| C8 | C6 | C5 | C4 | 178.8° | 179.8° |
| C6 | C8 | C9 | H3 | 178.6° | 179.9° |
| C8 | C6 | C5 | H4 | 1.1° | 0.2° |
| CE | CD | CG | OB | 160.5° | 180.0° |
| CE | CD | CG | H9 | 120.6° | 119.9° |
| CE | CD | CG | H10 | 120.6° | 120.0° |
| CE | CD | CG | H7 | 40.7° | 60.0° |
| CE | CD | CG | H8 | 79.8° | 60.0° |
| CE | CD | H9 | H10 | 118.3° | 120.0° |
| CD | CE | H11 | H12 | 172.5° | 120.0° |
| CD | CE | H11 | N1 | 15.0° | 120.0° |
| CD | CE | H12 | N1 | 15.0° | 120.0° |
| CD | CE | N1 | H13 | 90.0° | 56.0° |
| CD | CE | N1 | H15 | 90.0° | 180.0° |
| C6 | C7 | CA | N | 178.7° | 180.0° |
| C6 | C7 | CA | C3 | 3.7° | 0.0° |
| C7 | C6 | C5 | C4 | 1.2° | 0.0° |
| C7 | C6 | C5 | H4 | 178.8° | 180.0° |
| C7 | CA | N | C3 | 174.7° | 180.0° |
| CA | C7 | C6 | C5 | 1.1° | 0.0° |
| C7 | CA | C3 | C4 | 3.9° | 0.0° |
| C7 | CA | N | H | 180.0° | 0.0° |
| C7 | CA | N | H2 | 60.0° | 180.0° |
| C7 | CA | C3 | H6 | 176.1° | 180.0° |
| OB | CG | CD | H7 | 119.8° | 120.0° |
| OB | CG | CD | H8 | 119.7° | 120.0° |
| OB | CG | H7 | H8 | 120.8° | 120.0° |
| OB | CG | CD | H9 | 39.9° | 60.1° |
| OB | CG | CD | H10 | 78.9° | 60.0° |
| CD | CG | H7 | H8 | 120.8° | 120.0° |
| CG | CD | H9 | H10 | 118.3° | 120.0° |
| CG | CD | CE | H11 | 148.9° | 60.0° |
| CG | CD | CE | H12 | 39.8° | 60.0° |
| CG | CD | CE | N1 | 54.6° | 180.0° |
| N | CA | C3 | C4 | 178.5° | 180.0° |
| CA | N | H | H2 | 120.0° | 179.9° |
| N | CA | C3 | H6 | 1.5° | 0.0° |
| C6 | C5 | C4 | H4 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 1.0° | 0.0° |
| C6 | C5 | C4 | H5 | 179.0° | 180.0° |
| CA | C3 | C4 | C5 | 1.7° | 0.0° |
| CA | C3 | C4 | H6 | 180.0° | 180.0° |
| C3 | CA | N | H | 5.3° | 180.0° |
| C3 | CA | N | H2 | 114.7° | 0.0° |
| CA | C3 | C4 | H5 | 178.3° | 180.0° |
| C5 | C4 | C3 | H5 | 180.0° | 180.0° |
| C5 | C4 | C3 | H6 | 178.3° | 180.0° |
| C3 | C4 | C5 | H4 | 179.1° | 180.0° |
| H4 | C5 | C4 | H5 | 1.0° | 0.0° |
| H5 | C4 | C3 | H6 | 1.6° | 0.0° |
| H7 | CG | CD | H9 | 79.9° | 179.9° |
| H7 | CG | CD | H10 | 161.3° | 60.0° |
| H8 | CG | CD | H9 | 159.6° | 59.9° |
| H8 | CG | CD | H10 | 40.8° | 180.0° |
| H9 | CD | CE | H11 | 90.5° | 179.9° |
| H9 | CD | CE | H12 | 80.8° | 59.9° |
| H9 | CD | CE | N1 | 175.1° | 60.1° |
| H10 | CD | CE | H11 | 28.3° | 60.0° |
| H10 | CD | CE | H12 | 160.4° | 180.0° |
| H10 | CD | CE | N1 | 66.0° | 60.0° |
| H11 | CE | H12 | N1 | 172.5° | 120.0° |
| H11 | CE | N1 | H13 | 90.0° | 64.0° |
| H11 | CE | N1 | H15 | 90.0° | 60.0° |
| H12 | CE | N1 | H13 | 90.0° | 176.0° |
| H12 | CE | N1 | H15 | 90.0° | 60.0° |
| CE | N1 | H13 | H15 | 90.0° | 124.0° |
