QVE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | C2 | sing | 1.39Å | 1.38Å | |
| O | C | doub | 1.21Å | 1.22Å | |
| C2 | C3 | doub | 1.38Å | 1.42Å | Aromatic |
| C2 | C7 | sing | 1.42Å | 1.41Å | Aromatic |
| N11 | C7 | doub | 1.33Å | 1.37Å | Aromatic |
| N11 | CA | sing | 1.32Å | 1.36Å | Aromatic |
| C | CA | sing | 1.48Å | 1.40Å | |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | sing | 1.42Å | 1.40Å | Aromatic |
| CA | C9 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.39Å | Aromatic |
| C6 | C8 | doub | 1.41Å | 1.40Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | OB | sing | 1.36Å | 1.37Å | |
| CG | OB | sing | 1.43Å | 1.43Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| OE2 | CD | doub | 1.21Å | 1.25Å | |
| CD | OE1 | sing | 1.34Å | 1.25Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| C9 | H4 | sing | 1.08Å | 1.08Å | |
| CG | H5 | sing | 1.09Å | 1.10Å | |
| CG | H6 | sing | 1.09Å | 1.10Å | |
| OE1 | H7 | sing | 0.97Å | 0.95Å | |
| C5 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.35Å | 1.22Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | C2 | C3 | 125.1° | 120.3° |
| N | C2 | C7 | 117.0° | 120.2° |
| C2 | N | H2 | 109.5° | 120.0° |
| C2 | N | H | 109.4° | 120.1° |
| O | C | CA | 120.4° | 120.0° |
| O | C | OXT | 121.9° | 120.0° |
| C3 | C2 | C7 | 117.9° | 119.5° |
| C2 | C3 | C4 | 121.0° | 120.8° |
| C2 | C3 | H10 | 119.5° | 119.6° |
| C2 | C7 | N11 | 120.1° | 120.9° |
| C2 | C7 | C6 | 120.5° | 119.0° |
| C7 | N11 | CA | 122.0° | 121.6° |
| N11 | C7 | C6 | 119.5° | 120.1° |
| N11 | CA | C | 120.3° | 119.2° |
| N11 | CA | C9 | 119.6° | 121.5° |
| C | CA | C9 | 120.1° | 119.2° |
| CA | C | OXT | 117.7° | 120.0° |
| C3 | C4 | C5 | 120.4° | 121.0° |
| C3 | C4 | H9 | 119.8° | 119.5° |
| C4 | C3 | H10 | 119.5° | 119.6° |
| C7 | C6 | C5 | 120.2° | 119.7° |
| C7 | C6 | C8 | 119.3° | 119.1° |
| CA | C9 | C8 | 120.1° | 119.6° |
| CA | C9 | H4 | 119.9° | 120.2° |
| C4 | C5 | C6 | 119.9° | 120.0° |
| C4 | C5 | H8 | 120.1° | 120.0° |
| C5 | C4 | H9 | 119.8° | 119.5° |
| C5 | C6 | C8 | 120.4° | 121.2° |
| C6 | C5 | H8 | 120.0° | 120.0° |
| C6 | C8 | C9 | 119.5° | 118.1° |
| C6 | C8 | OB | 122.4° | 121.0° |
| C9 | C8 | OB | 118.0° | 121.0° |
| C8 | C9 | H4 | 120.0° | 120.2° |
| C8 | OB | CG | 122.2° | 117.0° |
| OB | CG | CD | 108.2° | 109.5° |
| OB | CG | H5 | 109.8° | 109.5° |
| OB | CG | H6 | 109.8° | 109.5° |
| CG | CD | OE2 | 118.7° | 120.0° |
| CG | CD | OE1 | 118.0° | 120.1° |
| CD | CG | H5 | 109.8° | 109.4° |
| CD | CG | H6 | 109.8° | 109.4° |
| OE2 | CD | OE1 | 123.3° | 120.0° |
| CD | OE1 | H7 | 109.5° | 117.0° |
| H2 | N | H | 109.4° | 119.9° |
| H5 | CG | H6 | 109.5° | 109.4° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | C2 | C3 | C7 | 178.5° | 180.0° |
| N | C2 | C7 | N11 | 0.9° | 0.1° |
| N | C2 | C3 | C4 | 179.5° | 180.0° |
| N | C2 | C7 | C6 | 179.6° | 180.0° |
| C2 | N | H2 | H | 120.0° | 180.0° |
| N | C2 | C3 | H10 | 0.5° | 0.0° |
| O | C | CA | N11 | 4.7° | 179.7° |
| O | C | CA | OXT | 179.8° | 179.7° |
| O | C | CA | C9 | 175.8° | 0.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C3 | C2 | C7 | N11 | 179.5° | 180.0° |
| C2 | C3 | C4 | H10 | 180.0° | 179.9° |
| C3 | C2 | C7 | C6 | 1.0° | 0.0° |
| C2 | C3 | C4 | C5 | 0.8° | 0.1° |
| C3 | C2 | N | H2 | 180.0° | 0.1° |
| C3 | C2 | N | H | 60.0° | 180.0° |
| C2 | C3 | C4 | H9 | 179.2° | 180.0° |
| C2 | C7 | N11 | C6 | 179.5° | 179.9° |
| C2 | C7 | N11 | CA | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 1.0° | 0.0° |
| C2 | C7 | C6 | C5 | 0.7° | 0.1° |
| C2 | C7 | C6 | C8 | 180.0° | 179.7° |
| C7 | C2 | N | H2 | 1.5° | 180.0° |
| C7 | C2 | N | H | 121.5° | 0.0° |
| C7 | C2 | C3 | H10 | 179.0° | 179.9° |
| C7 | N11 | CA | C | 179.7° | 180.0° |
| C7 | N11 | CA | C9 | 0.2° | 0.4° |
| N11 | C7 | C6 | C5 | 179.8° | 180.0° |
| N11 | C7 | C6 | C8 | 0.5° | 0.3° |
| N11 | CA | C | C9 | 179.6° | 179.7° |
| CA | N11 | C7 | C6 | 0.4° | 0.1° |
| N11 | CA | C9 | C8 | 0.6° | 0.3° |
| N11 | CA | C9 | H4 | 179.4° | 179.7° |
| N11 | CA | C | OXT | 175.1° | 0.6° |
| C | CA | C9 | C8 | 179.9° | 180.0° |
| C | CA | C9 | H4 | 0.2° | 0.0° |
| CA | C | OXT | HXT | 179.8° | 179.7° |
| C3 | C4 | C5 | H9 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.5° | 0.0° |
| C3 | C4 | C5 | H8 | 179.5° | 179.9° |
| C7 | C6 | C5 | C4 | 0.5° | 0.0° |
| C7 | C6 | C5 | C8 | 179.3° | 179.7° |
| C7 | C6 | C8 | C9 | 0.1° | 0.3° |
| C7 | C6 | C8 | OB | 179.9° | 179.8° |
| C7 | C6 | C5 | H8 | 179.5° | 180.0° |
| CA | C9 | C8 | C6 | 0.4° | 0.0° |
| CA | C9 | C8 | H4 | 180.0° | 180.0° |
| CA | C9 | C8 | OB | 179.6° | 180.0° |
| C9 | CA | C | OXT | 4.4° | 179.8° |
| C4 | C5 | C6 | H8 | 180.0° | 179.9° |
| C4 | C5 | C6 | C8 | 179.8° | 179.7° |
| C5 | C4 | C3 | H10 | 179.2° | 180.0° |
| C5 | C6 | C8 | C9 | 179.4° | 180.0° |
| C5 | C6 | C8 | OB | 0.6° | 0.1° |
| C6 | C5 | C4 | H9 | 179.5° | 180.0° |
| C6 | C8 | C9 | OB | 180.0° | 179.9° |
| C6 | C8 | OB | CG | 120.6° | 180.0° |
| C6 | C8 | C9 | H4 | 179.5° | 180.0° |
| C8 | C6 | C5 | H8 | 0.2° | 0.2° |
| C9 | C8 | OB | CG | 59.5° | 0.1° |
| C8 | OB | CG | CD | 127.5° | 179.9° |
| OB | C8 | C9 | H4 | 0.4° | 0.1° |
| C8 | OB | CG | H5 | 112.7° | 60.0° |
| C8 | OB | CG | H6 | 7.6° | 60.0° |
| OB | CG | CD | H5 | 119.8° | 120.0° |
| OB | CG | CD | H6 | 119.8° | 120.1° |
| OB | CG | CD | OE2 | 127.6° | 0.0° |
| OB | CG | CD | OE1 | 52.1° | 180.0° |
| OB | CG | H5 | H6 | 120.6° | 120.0° |
| CG | CD | OE2 | OE1 | 179.7° | 179.9° |
| CD | CG | H5 | H6 | 120.6° | 119.9° |
| CG | CD | OE1 | H7 | 179.7° | 180.0° |
| OE2 | CD | CG | H5 | 112.6° | 120.1° |
| OE2 | CD | CG | H6 | 7.8° | 120.0° |
| OE2 | CD | OE1 | H7 | 0.0° | 0.1° |
| OE1 | CD | CG | H5 | 67.7° | 60.0° |
| OE1 | CD | CG | H6 | 171.9° | 59.9° |
| H8 | C5 | C4 | H9 | 0.5° | 0.1° |
| H9 | C4 | C3 | H10 | 0.8° | 0.0° |
