UX8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | NE1 | sing | 1.37Å | 1.33Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.32Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.33Å | Aromatic |
| O9 | CB | sing | 1.43Å | 1.41Å | |
| CG | CB | sing | 1.51Å | 1.51Å | |
| CG | CD2 | sing | 1.46Å | 1.32Å | Aromatic |
| CE2 | CZ2 | doub | 1.39Å | 1.33Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.33Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.39Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.65Å | |
| CD2 | CE3 | doub | 1.40Å | 1.33Å | Aromatic |
| CA | N | sing | 1.47Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.41Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.38Å | Aromatic |
| CE3 | CZ3 | sing | 1.37Å | 1.36Å | Aromatic |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.42Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| O9 | H4 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| NE1 | CD1 | CG | 107.7° | 109.9° |
| CD1 | NE1 | CE2 | 108.3° | 109.9° |
| NE1 | CD1 | HD1 | 126.2° | 125.0° |
| CD1 | NE1 | HE1 | 125.8° | 125.1° |
| CD1 | CG | CB | 134.0° | 126.5° |
| CD1 | CG | CD2 | 108.1° | 107.0° |
| CG | CD1 | HD1 | 126.2° | 125.1° |
| NE1 | CE2 | CZ2 | 132.3° | 133.5° |
| NE1 | CE2 | CD2 | 107.2° | 107.1° |
| CE2 | NE1 | HE1 | 125.9° | 125.0° |
| O9 | CB | CG | 111.2° | 109.5° |
| O9 | CB | CA | 92.9° | 109.5° |
| O9 | CB | HB2 | 117.3° | 109.5° |
| CB | O9 | H4 | 109.5° | 114.0° |
| CB | CG | CD2 | 117.8° | 126.5° |
| CG | CB | CA | 104.0° | 109.5° |
| CG | CB | HB2 | 115.5° | 109.5° |
| CG | CD2 | CE2 | 108.6° | 106.1° |
| CG | CD2 | CE3 | 129.4° | 134.0° |
| CZ2 | CE2 | CD2 | 120.4° | 119.3° |
| CE2 | CZ2 | CH2 | 119.2° | 119.8° |
| CE2 | CZ2 | HZ2 | 120.4° | 120.1° |
| CE2 | CD2 | CE3 | 122.0° | 119.9° |
| CZ2 | CH2 | CZ3 | 120.0° | 120.6° |
| CZ2 | CH2 | HH2 | 119.9° | 119.7° |
| CH2 | CZ2 | HZ2 | 120.4° | 120.1° |
| CB | CA | N | 117.0° | 109.5° |
| CB | CA | C | 117.7° | 109.5° |
| CB | CA | HA | 102.1° | 109.5° |
| CA | CB | HB2 | 113.1° | 109.5° |
| CD2 | CE3 | CZ3 | 120.8° | 119.8° |
| CD2 | CE3 | HE3 | 119.6° | 120.1° |
| N | CA | C | 110.3° | 109.4° |
| N | CA | HA | 103.0° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | C | O | 120.6° | 120.0° |
| CA | C | OXT | 120.0° | 120.0° |
| C | CA | HA | 104.2° | 109.5° |
| CH2 | CZ3 | CE3 | 117.6° | 120.5° |
| CH2 | CZ3 | HZ3 | 121.2° | 119.7° |
| CZ3 | CH2 | HH2 | 120.0° | 119.7° |
| CZ3 | CE3 | HE3 | 119.6° | 120.1° |
| CE3 | CZ3 | HZ3 | 121.2° | 119.8° |
| O | C | OXT | 119.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NE1 | CD1 | CG | HD1 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | HE1 | 180.0° | 179.8° |
| NE1 | CD1 | CG | CB | 179.5° | 180.0° |
| NE1 | CD1 | CG | CD2 | 2.0° | 0.3° |
| CD1 | NE1 | CE2 | CZ2 | 178.9° | 179.8° |
| CD1 | NE1 | CE2 | CD2 | 0.7° | 0.0° |
| CG | CD1 | NE1 | CE2 | 0.8° | 0.2° |
| CD1 | CG | CB | O9 | 3.0° | 24.6° |
| CD1 | CG | CB | CD2 | 178.4° | 179.6° |
| CD1 | CG | CD2 | CE2 | 2.5° | 0.3° |
| CD1 | CG | CB | CA | 101.7° | 95.3° |
| CD1 | CG | CD2 | CE3 | 180.0° | 179.7° |
| CD1 | CG | CB | HB2 | 133.8° | 144.6° |
| CG | CD1 | NE1 | HE1 | 179.2° | 180.0° |
| NE1 | CE2 | CD2 | CG | 2.0° | 0.2° |
| NE1 | CE2 | CZ2 | CD2 | 178.0° | 179.7° |
| NE1 | CE2 | CZ2 | CH2 | 179.7° | 179.8° |
| NE1 | CE2 | CD2 | CE3 | 179.7° | 179.8° |
| CE2 | NE1 | CD1 | HD1 | 179.2° | 179.9° |
| NE1 | CE2 | CZ2 | HZ2 | 0.3° | 0.2° |
| O9 | CB | CG | CA | 98.8° | 120.0° |
| O9 | CB | CG | HB2 | 136.8° | 120.0° |
| O9 | CB | CG | CD2 | 178.6° | 155.0° |
| O9 | CB | CA | HB2 | 121.4° | 120.0° |
| O9 | CB | CA | N | 52.3° | 65.0° |
| O9 | CB | CA | C | 172.6° | 55.0° |
| O9 | CB | CA | HA | 59.3° | 175.0° |
| CB | CG | CD2 | CE2 | 178.7° | 180.0° |
| CG | CB | CA | HB2 | 126.0° | 120.0° |
| CB | CG | CD2 | CE3 | 1.3° | 0.1° |
| CG | CB | CA | N | 164.9° | 55.0° |
| CG | CB | CA | C | 60.0° | 175.0° |
| CG | CB | CA | HA | 53.3° | 65.0° |
| CB | CG | CD1 | HD1 | 0.5° | 0.1° |
| CG | CB | O9 | H4 | 180.0° | 60.0° |
| CG | CD2 | CE2 | CZ2 | 179.5° | 180.0° |
| CG | CD2 | CE2 | CE3 | 177.7° | 180.0° |
| CD2 | CG | CB | CA | 79.9° | 85.0° |
| CG | CD2 | CE3 | CZ3 | 178.0° | 179.9° |
| CD2 | CG | CB | HB2 | 44.5° | 35.0° |
| CD2 | CG | CD1 | HD1 | 178.0° | 179.8° |
| CG | CD2 | CE3 | HE3 | 2.0° | 0.0° |
| CE2 | CZ2 | CH2 | HZ2 | 180.0° | 179.9° |
| CZ2 | CE2 | CD2 | CE3 | 1.8° | 0.0° |
| CE2 | CZ2 | CH2 | CZ3 | 1.7° | 0.1° |
| CE2 | CZ2 | CH2 | HH2 | 178.3° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 1.1° | 0.1° |
| CD2 | CE2 | CZ2 | CH2 | 2.2° | 0.1° |
| CE2 | CD2 | CE3 | CZ3 | 0.8° | 0.0° |
| CE2 | CD2 | CE3 | HE3 | 179.2° | 180.0° |
| CD2 | CE2 | CZ2 | HZ2 | 177.7° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 179.3° | 179.8° |
| CZ2 | CH2 | CZ3 | HH2 | 180.0° | 179.9° |
| CZ2 | CH2 | CZ3 | CE3 | 0.7° | 0.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 179.3° | 179.9° |
| CB | CA | N | C | 138.2° | 120.0° |
| CB | CA | N | HA | 111.1° | 120.0° |
| CB | CA | C | HA | 112.1° | 120.0° |
| CB | CA | C | O | 82.4° | 100.0° |
| CB | CA | C | OXT | 97.9° | 80.3° |
| CB | CA | N | H | 180.0° | 176.0° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | O9 | H4 | 73.8° | 59.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.2° | 0.0° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | HZ3 | 179.7° | 179.9° |
| N | CA | C | HA | 110.0° | 120.0° |
| N | CA | C | O | 55.5° | 19.9° |
| N | CA | C | OXT | 124.2° | 159.7° |
| N | CA | CB | HB2 | 69.1° | 175.1° |
| CA | N | H | H2 | 120.0° | 124.0° |
| CA | C | O | OXT | 179.7° | 179.6° |
| C | CA | CB | HB2 | 66.0° | 65.0° |
| C | CA | N | H | 41.8° | 64.1° |
| C | CA | N | H2 | 78.2° | 60.0° |
| CA | C | OXT | HXT | 179.8° | 179.7° |
| CH2 | CZ3 | CE3 | HZ3 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | HE3 | 179.8° | 180.0° |
| CZ3 | CH2 | CZ2 | HZ2 | 178.3° | 180.0° |
| CE3 | CZ3 | CH2 | HH2 | 179.3° | 179.9° |
| O | C | CA | HA | 165.5° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | HA | 14.2° | 39.7° |
| HA | CA | CB | HB2 | 179.3° | 55.1° |
| HA | CA | N | H | 68.9° | 56.0° |
| HA | CA | N | H2 | 171.0° | 180.0° |
| HB2 | CB | O9 | H4 | 44.0° | 179.9° |
| HD1 | CD1 | NE1 | HE1 | 0.8° | 0.1° |
| HE3 | CE3 | CZ3 | HZ3 | 0.3° | 0.1° |
| HZ3 | CZ3 | CH2 | HH2 | 0.7° | 0.0° |
| HH2 | CH2 | CZ2 | HZ2 | 1.7° | 0.0° |
