HOX
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.33Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.23Å | |
| N | CA | sing | 1.47Å | 1.45Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| CD1 | CG | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CE1 | CZ | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| CZ | NZ | sing | 1.40Å | 1.38Å | |
| NZ | HNZ | sing | 0.97Å | 1.00Å | |
| NZ | HNZA | sing | 0.97Å | 1.00Å | |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | 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) |
| O | C | CA | 117.0° | 120.0° |
| O | C | OXT | 122.8° | 120.0° |
| CA | C | OXT | 120.2° | 120.0° |
| C | CA | N | 112.3° | 109.5° |
| C | CA | CB | 109.4° | 109.5° |
| C | CA | HA | 107.4° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 108.7° | 109.5° |
| N | CA | HA | 108.1° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| CB | CA | HA | 111.1° | 109.4° |
| CA | CB | CG | 115.8° | 109.5° |
| CA | CB | HB | 107.4° | 109.5° |
| CA | CB | HBA | 107.4° | 109.5° |
| CG | CB | HB | 107.4° | 109.5° |
| CG | CB | HBA | 107.4° | 109.5° |
| CB | CG | CD1 | 120.8° | 119.9° |
| CB | CG | CD2 | 121.1° | 119.9° |
| HB | CB | HBA | 111.4° | 109.5° |
| CD1 | CG | CD2 | 118.1° | 120.1° |
| CG | CD1 | CE1 | 121.2° | 120.1° |
| CG | CD1 | HD1 | 119.4° | 119.9° |
| CG | CD2 | CE2 | 121.4° | 120.1° |
| CG | CD2 | HD2 | 119.3° | 119.9° |
| CE1 | CZ | CE2 | 120.0° | 119.9° |
| CE1 | CZ | NZ | 120.0° | 120.0° |
| CZ | CE1 | CD1 | 119.9° | 119.9° |
| CZ | CE1 | HE1 | 120.1° | 120.0° |
| CE2 | CZ | NZ | 119.9° | 120.1° |
| CZ | CE2 | CD2 | 119.5° | 119.9° |
| CZ | CE2 | HE2 | 120.3° | 120.0° |
| CZ | NZ | HNZ | 109.5° | 120.0° |
| CZ | NZ | HNZA | 109.5° | 120.0° |
| HNZ | NZ | HNZA | 109.4° | 120.0° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 120.1° | 120.0° |
| CE2 | CD2 | HD2 | 119.3° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 179.6° | 179.7° |
| O | C | CA | N | 40.5° | 20.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O | C | CA | CB | 80.2° | 100.0° |
| O | C | CA | HA | 159.2° | 140.0° |
| C | CA | N | CB | 121.1° | 120.0° |
| C | CA | N | HA | 118.3° | 120.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| CA | C | OXT | HXT | 179.5° | 179.7° |
| C | CA | CB | HA | 118.3° | 120.0° |
| C | CA | CB | CG | 67.2° | 175.0° |
| C | CA | CB | HB | 172.8° | 65.0° |
| C | CA | CB | HBA | 52.8° | 55.0° |
| OXT | C | CA | N | 139.0° | 159.7° |
| OXT | C | CA | CB | 100.3° | 80.3° |
| OXT | C | CA | HA | 20.3° | 39.7° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 118.8° | 120.0° |
| N | CA | CB | CG | 169.9° | 65.0° |
| N | CA | CB | HB | 49.9° | 55.0° |
| N | CA | CB | HBA | 70.1° | 175.0° |
| H | N | CA | CB | 58.9° | 60.0° |
| H | N | CA | HA | 61.8° | 180.0° |
| H2 | N | CA | CB | 178.9° | 64.0° |
| H2 | N | CA | HA | 58.3° | 56.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 117.4° | 120.0° |
| CA | CB | CG | CD1 | 102.3° | 89.7° |
| CA | CB | CG | CD2 | 80.1° | 90.0° |
| HA | CA | CB | CG | 51.1° | 55.0° |
| HA | CA | CB | HB | 68.9° | 175.0° |
| HA | CA | CB | HBA | 171.1° | 65.0° |
| CG | CB | HB | HBA | 117.4° | 120.0° |
| CB | CG | CD1 | CD2 | 177.7° | 179.7° |
| CB | CG | CD1 | CE1 | 177.2° | 180.0° |
| CB | CG | CD1 | HD1 | 2.8° | 0.0° |
| CB | CG | CD2 | CE2 | 177.2° | 180.0° |
| CB | CG | CD2 | HD2 | 2.8° | 0.0° |
| HB | CB | CG | CD1 | 17.8° | 150.3° |
| HB | CB | CG | CD2 | 159.9° | 30.0° |
| HBA | CB | CG | CD1 | 137.7° | 30.3° |
| HBA | CB | CG | CD2 | 39.9° | 150.0° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.6° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.8° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.1° | 0.1° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.3° |
| CD2 | CG | CD1 | HD1 | 179.5° | 179.7° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | HE2 | 180.0° | 179.7° |
| CE1 | CZ | CE2 | NZ | 178.6° | 179.6° |
| CE1 | CZ | NZ | HNZ | 180.0° | 179.7° |
| CE1 | CZ | NZ | HNZA | 60.0° | 0.4° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 180.0° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.3° | 0.4° |
| CE1 | CZ | CE2 | HE2 | 179.7° | 180.0° |
| CE2 | CZ | NZ | HNZ | 1.4° | 0.1° |
| CE2 | CZ | NZ | HNZA | 121.4° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.2° | 0.4° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.6° |
| CZ | CE2 | CD2 | HD2 | 179.9° | 179.9° |
| CE2 | CZ | CE1 | HE1 | 179.8° | 179.6° |
| CZ | NZ | HNZ | HNZA | 120.0° | 179.9° |
| NZ | CZ | CE1 | CD1 | 178.4° | 180.0° |
| NZ | CZ | CE2 | CD2 | 178.3° | 180.0° |
| NZ | CZ | CE1 | HE1 | 1.6° | 0.0° |
| NZ | CZ | CE2 | HE2 | 1.7° | 0.4° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| HD2 | CD2 | CE2 | HE2 | 0.0° | 0.3° |
