VXQ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CB | sing | 1.47Å | 1.50Å | |
| C5 | CM | sing | 1.55Å | 1.57Å | |
| C5 | CE1 | sing | 1.52Å | 1.49Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| OE | CM | sing | 1.44Å | 1.44Å | |
| OE | CZ | sing | 1.36Å | 1.39Å | |
| CG | CD1 | doub | 1.38Å | 1.35Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.37Å | Aromatic |
| CZ | CE1 | doub | 1.39Å | 1.35Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.37Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.37Å | Aromatic |
| N | HN | sing | 1.01Å | 1.00Å | |
| N | HNA | sing | 1.01Å | 1.00Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CM | HM | sing | 1.09Å | 1.10Å | |
| CM | HMA | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CB | CG | 104.8° | 109.5° |
| CB | N | HN | 109.5° | 111.0° |
| CB | N | HNA | 109.5° | 111.0° |
| N | CB | HB | 110.6° | 109.5° |
| N | CB | HBA | 110.6° | 109.5° |
| CM | C5 | CE1 | 92.2° | 102.0° |
| C5 | CM | OE | 114.9° | 102.8° |
| CM | C5 | H5 | 113.6° | 110.9° |
| CM | C5 | H5A | 113.6° | 110.9° |
| C5 | CM | HM | 108.1° | 110.8° |
| C5 | CM | HMA | 108.1° | 110.8° |
| C5 | CE1 | CZ | 113.6° | 107.0° |
| C5 | CE1 | CD1 | 128.8° | 132.2° |
| CE1 | C5 | H5 | 113.6° | 111.0° |
| CE1 | C5 | H5A | 113.6° | 111.0° |
| CB | CG | CD1 | 122.5° | 120.1° |
| CB | CG | CD2 | 116.6° | 120.2° |
| CG | CB | HB | 110.6° | 109.5° |
| CG | CB | HBA | 110.6° | 109.4° |
| CM | OE | CZ | 98.0° | 109.3° |
| OE | CM | HM | 108.1° | 110.7° |
| OE | CM | HMA | 108.1° | 110.8° |
| OE | CZ | CE1 | 115.0° | 111.2° |
| OE | CZ | CE2 | 121.8° | 129.9° |
| CD1 | CG | CD2 | 120.3° | 119.7° |
| CG | CD1 | CE1 | 120.8° | 120.0° |
| CG | CD1 | HD1 | 119.6° | 120.0° |
| CG | CD2 | CE2 | 120.5° | 120.4° |
| CG | CD2 | HD2 | 119.7° | 119.8° |
| CE1 | CZ | CE2 | 123.1° | 118.9° |
| CZ | CE1 | CD1 | 117.6° | 120.8° |
| CZ | CE2 | CD2 | 117.5° | 120.2° |
| CZ | CE2 | HE2 | 121.3° | 119.9° |
| CE1 | CD1 | HD1 | 119.6° | 120.0° |
| CE2 | CD2 | HD2 | 119.8° | 119.8° |
| CD2 | CE2 | HE2 | 121.3° | 119.8° |
| HN | N | HNA | 109.5° | 111.0° |
| H5 | C5 | H5A | 109.5° | 110.8° |
| HB | CB | HBA | 109.5° | 109.5° |
| HM | CM | HMA | 109.5° | 110.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CB | CG | HB | 119.2° | 120.0° |
| N | CB | CG | HBA | 119.3° | 120.0° |
| N | CB | CG | CD1 | 137.1° | 90.0° |
| N | CB | CG | CD2 | 35.1° | 90.0° |
| CB | N | HN | HNA | 120.0° | 123.9° |
| N | CB | HB | HBA | 122.1° | 120.0° |
| CM | C5 | CE1 | H5 | 117.0° | 118.1° |
| CM | C5 | CE1 | H5A | 117.0° | 118.2° |
| C5 | CM | OE | HM | 120.8° | 118.3° |
| C5 | CM | OE | HMA | 120.8° | 118.3° |
| C5 | CM | OE | CZ | 26.1° | 27.5° |
| CM | C5 | CE1 | CZ | 10.5° | 15.7° |
| CM | C5 | CE1 | CD1 | 168.0° | 164.2° |
| CM | C5 | H5 | H5A | 128.2° | 123.7° |
| C5 | CM | HM | HMA | 117.6° | 123.4° |
| CE1 | C5 | CM | OE | 23.0° | 25.3° |
| C5 | CE1 | CZ | OE | 4.4° | 0.6° |
| C5 | CE1 | CD1 | CG | 173.3° | 179.6° |
| C5 | CE1 | CZ | CD1 | 178.6° | 179.9° |
| C5 | CE1 | CZ | CE2 | 176.8° | 179.4° |
| CE1 | C5 | H5 | H5A | 128.2° | 123.8° |
| CE1 | C5 | CM | HM | 143.8° | 93.0° |
| CE1 | C5 | CM | HMA | 97.8° | 143.7° |
| C5 | CE1 | CD1 | HD1 | 6.7° | 0.5° |
| CB | CG | CD1 | CD2 | 171.9° | 180.0° |
| CB | CG | CD1 | CE1 | 177.3° | 179.9° |
| CB | CG | CD2 | CE2 | 174.7° | 179.8° |
| CG | CB | N | HN | 180.0° | 180.0° |
| CG | CB | N | HNA | 60.0° | 56.1° |
| CG | CB | HB | HBA | 122.2° | 120.0° |
| CB | CG | CD1 | HD1 | 2.7° | 0.0° |
| CB | CG | CD2 | HD2 | 5.3° | 0.2° |
| CM | OE | CZ | CE1 | 18.1° | 18.6° |
| CM | OE | CZ | CE2 | 163.1° | 161.5° |
| OE | CM | C5 | H5 | 140.0° | 92.9° |
| OE | CM | C5 | H5A | 94.0° | 143.5° |
| OE | CM | HM | HMA | 117.5° | 123.3° |
| OE | CZ | CE1 | CE2 | 178.8° | 179.9° |
| OE | CZ | CE1 | CD1 | 176.9° | 179.5° |
| OE | CZ | CE2 | CD2 | 179.8° | 179.6° |
| CZ | OE | CM | HM | 146.8° | 90.8° |
| CZ | OE | CM | HMA | 94.7° | 145.9° |
| OE | CZ | CE2 | HE2 | 0.3° | 0.5° |
| CG | CD1 | CE1 | CZ | 5.1° | 0.3° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 2.3° | 0.1° |
| CD1 | CG | CB | HB | 17.8° | 30.0° |
| CD1 | CG | CB | HBA | 103.6° | 150.0° |
| CD1 | CG | CD2 | HD2 | 177.6° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.8° | 0.1° |
| CD2 | CG | CD1 | CE1 | 5.4° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CB | HB | 154.3° | 149.9° |
| CD2 | CG | CB | HBA | 84.2° | 29.9° |
| CD2 | CG | CD1 | HD1 | 174.6° | 180.0° |
| CG | CD2 | CE2 | HE2 | 179.2° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 1.0° | 0.4° |
| CZ | CE1 | C5 | H5 | 127.5° | 102.5° |
| CZ | CE1 | C5 | H5A | 106.5° | 133.8° |
| CZ | CE1 | CD1 | HD1 | 174.9° | 179.7° |
| CE1 | CZ | CE2 | HE2 | 179.0° | 179.6° |
| CE2 | CZ | CE1 | CD1 | 1.9° | 0.5° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.2° | 180.0° |
| CD1 | CE1 | C5 | H5 | 51.0° | 77.6° |
| CD1 | CE1 | C5 | H5A | 75.0° | 46.1° |
| HN | N | CB | HB | 60.7° | 60.0° |
| HN | N | CB | HBA | 60.7° | 60.0° |
| HNA | N | CB | HB | 59.3° | 64.0° |
| HNA | N | CB | HBA | 179.3° | 176.0° |
| H5 | C5 | CM | HM | 99.2° | 148.9° |
| H5 | C5 | CM | HMA | 19.2° | 25.5° |
| H5A | C5 | CM | HM | 26.8° | 25.2° |
| H5A | C5 | CM | HMA | 145.3° | 98.1° |
| HD2 | CD2 | CE2 | HE2 | 0.8° | 0.1° |
