HIS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.44Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.52Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| C | O | doub | 1.23Å | 1.23Å | |
| C | OXT | sing | 1.36Å | 1.32Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| CB | HB3 | sing | 1.10Å | 1.10Å | |
| CG | ND1 | sing | 1.35Å | 1.38Å | Aromatic |
| CG | CD2 | doub | 1.34Å | 1.35Å | Aromatic |
| ND1 | CE1 | doub | 1.34Å | 1.32Å | Aromatic |
| ND1 | HD1 | sing | 1.02Å | 1.00Å | |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.07Å | 1.08Å | |
| CE1 | NE2 | sing | 1.34Å | 1.32Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| NE2 | HE2 | sing | 1.02Å | 1.00Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 119.0° |
| CA | N | H2 | 109.4° | 119.0° |
| N | CA | C | 112.0° | 111.1° |
| N | CA | CB | 109.6° | 111.1° |
| N | CA | HA | 107.6° | 106.3° |
| H | N | H2 | 109.5° | 120.6° |
| C | CA | CB | 109.4° | 109.9° |
| C | CA | HA | 107.8° | 106.9° |
| CA | C | O | 121.9° | 123.0° |
| CA | C | OXT | 115.6° | 114.9° |
| CB | CA | HA | 110.3° | 111.4° |
| CA | CB | CG | 114.0° | 113.0° |
| CA | CB | HB2 | 108.0° | 110.4° |
| CA | CB | HB3 | 107.0° | 110.2° |
| O | C | OXT | 122.5° | 122.2° |
| C | OXT | HXT | 109.5° | 114.8° |
| CG | CB | HB2 | 108.0° | 108.1° |
| CG | CB | HB3 | 107.0° | 109.7° |
| CB | CG | ND1 | 122.5° | 120.3° |
| CB | CG | CD2 | 131.2° | 129.9° |
| HB2 | CB | HB3 | 113.1° | 105.2° |
| ND1 | CG | CD2 | 106.2° | 109.7° |
| CG | ND1 | CE1 | 109.2° | 107.9° |
| CG | ND1 | HD1 | 125.4° | 127.1° |
| CG | CD2 | NE2 | 107.2° | 105.3° |
| CG | CD2 | HD2 | 126.4° | 137.1° |
| CE1 | ND1 | HD1 | 125.4° | 125.1° |
| ND1 | CE1 | NE2 | 108.5° | 107.6° |
| ND1 | CE1 | HE1 | 125.8° | 126.2° |
| NE2 | CD2 | HD2 | 126.4° | 117.5° |
| CD2 | NE2 | CE1 | 108.9° | 109.4° |
| CD2 | NE2 | HE2 | 125.5° | 125.5° |
| NE2 | CE1 | HE1 | 125.8° | 126.2° |
| CE1 | NE2 | HE2 | 125.6° | 125.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 166.4° |
| N | CA | C | CB | 121.8° | 123.5° |
| N | CA | C | HA | 118.2° | 115.5° |
| N | CA | CB | HA | 118.3° | 118.3° |
| N | CA | C | O | 33.0° | 34.5° |
| N | CA | C | OXT | 147.7° | 145.1° |
| N | CA | CB | CG | 171.4° | 158.2° |
| N | CA | CB | HB2 | 51.4° | 37.1° |
| N | CA | CB | HB3 | 70.6° | 78.7° |
| H | N | CA | C | 164.4° | 92.9° |
| H | N | CA | CB | 73.9° | 144.3° |
| H | N | CA | HA | 46.1° | 23.0° |
| H2 | N | CA | C | 44.4° | 100.5° |
| H2 | N | CA | CB | 166.1° | 22.3° |
| H2 | N | CA | HA | 73.9° | 143.6° |
| C | CA | CB | HA | 118.4° | 118.3° |
| CA | C | O | OXT | 179.2° | 179.5° |
| C | CA | CB | CG | 65.4° | 78.3° |
| C | CA | CB | HB2 | 174.6° | 160.6° |
| C | CA | CB | HB3 | 52.6° | 44.8° |
| CA | C | OXT | HXT | 179.3° | 179.6° |
| CB | CA | C | O | 88.8° | 89.0° |
| CB | CA | C | OXT | 90.5° | 91.5° |
| CA | CB | CG | HB2 | 120.0° | 122.4° |
| CA | CB | CG | HB3 | 118.0° | 123.4° |
| CA | CB | HB2 | HB3 | 118.2° | 118.9° |
| CA | CB | CG | ND1 | 65.6° | 90.0° |
| CA | CB | CG | CD2 | 114.2° | 89.8° |
| HA | CA | C | O | 151.2° | 150.0° |
| HA | CA | C | OXT | 29.5° | 29.5° |
| HA | CA | CB | CG | 53.0° | 40.0° |
| HA | CA | CB | HB2 | 67.0° | 81.2° |
| HA | CA | CB | HB3 | 171.0° | 163.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| CG | CB | HB2 | HB3 | 118.1° | 117.1° |
| CB | CG | ND1 | CD2 | 179.9° | 179.9° |
| CB | CG | ND1 | CE1 | 179.9° | 179.9° |
| CB | CG | ND1 | HD1 | 0.1° | 0.1° |
| CB | CG | CD2 | NE2 | 179.9° | 179.9° |
| CB | CG | CD2 | HD2 | 0.1° | 0.0° |
| HB2 | CB | CG | ND1 | 54.4° | 147.6° |
| HB2 | CB | CG | CD2 | 125.8° | 32.6° |
| HB3 | CB | CG | ND1 | 176.4° | 33.4° |
| HB3 | CB | CG | CD2 | 3.8° | 146.8° |
| CG | ND1 | CE1 | HD1 | 180.0° | 180.0° |
| ND1 | CG | CD2 | NE2 | 0.2° | 0.0° |
| ND1 | CG | CD2 | HD2 | 179.8° | 179.8° |
| CG | ND1 | CE1 | NE2 | 0.1° | 0.0° |
| CG | ND1 | CE1 | HE1 | 180.0° | 180.0° |
| CD2 | CG | ND1 | CE1 | 0.2° | 0.0° |
| CD2 | CG | ND1 | HD1 | 179.8° | 180.0° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | NE2 | CE1 | 0.2° | 0.0° |
| CG | CD2 | NE2 | HE2 | 179.8° | 179.9° |
| ND1 | CE1 | NE2 | CD2 | 0.1° | 0.0° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 180.0° |
| ND1 | CE1 | NE2 | HE2 | 179.9° | 179.9° |
| HD1 | ND1 | CE1 | NE2 | 179.9° | 179.9° |
| HD1 | ND1 | CE1 | HE1 | 0.0° | 0.0° |
| CD2 | NE2 | CE1 | HE2 | 180.0° | 180.0° |
| CD2 | NE2 | CE1 | HE1 | 179.9° | 180.0° |
| HD2 | CD2 | NE2 | CE1 | 179.8° | 179.9° |
| HD2 | CD2 | NE2 | HE2 | 0.2° | 0.1° |
| HE1 | CE1 | NE2 | HE2 | 0.1° | 0.0° |
