OHI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CE1 | ND1 | sing | 1.34Å | 1.35Å | |
| CE1 | NE2 | sing | 1.34Å | 1.34Å | |
| CE1 | O12 | doub | 1.21Å | 1.28Å | |
| ND1 | CG | doub | 1.30Å | 1.40Å | |
| NE2 | CD2 | doub | 1.30Å | 1.36Å | |
| CD2 | CG | sing | 1.49Å | 1.39Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CG | CB | sing | 1.51Å | 1.53Å | |
| CB | CA | sing | 1.53Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 56.78Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| ND1 | CE1 | NE2 | 114.8° | 110.5° |
| ND1 | CE1 | O12 | 117.1° | 124.7° |
| CE1 | ND1 | CG | 101.3° | 108.7° |
| NE2 | CE1 | O12 | 128.1° | 124.8° |
| CE1 | NE2 | CD2 | 106.7° | 108.8° |
| ND1 | CG | CD2 | 111.6° | 106.0° |
| ND1 | CG | CB | 127.2° | 127.0° |
| NE2 | CD2 | CG | 105.7° | 106.0° |
| NE2 | CD2 | HD2 | 127.2° | 127.0° |
| CG | CD2 | HD2 | 127.2° | 127.0° |
| CD2 | CG | CB | 121.3° | 127.0° |
| CG | CB | CA | 106.7° | 109.5° |
| CG | CB | HB1 | 110.4° | 109.5° |
| CG | CB | HB2 | 111.0° | 109.5° |
| CA | CB | HB1 | 110.4° | 109.4° |
| CA | CB | HB2 | 111.0° | 109.4° |
| CB | CA | N | 110.0° | 109.5° |
| CB | CA | C | 111.3° | 109.5° |
| CB | CA | HA | 109.5° | 109.5° |
| HB1 | CB | HB2 | 107.3° | 109.5° |
| N | CA | C | 113.9° | 109.5° |
| N | CA | HA | 106.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C | CA | HA | 105.2° | 109.4° |
| CA | C | O | 116.5° | 120.0° |
| CA | C | OXT | 73.2° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| O | C | OXT | 46.5° | 120.0° |
| C | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| ND1 | CE1 | NE2 | O12 | 178.2° | 179.7° |
| ND1 | CE1 | NE2 | CD2 | 0.6° | 0.0° |
| CE1 | ND1 | CG | CD2 | 0.4° | 0.0° |
| CE1 | ND1 | CG | CB | 179.5° | 180.0° |
| NE2 | CE1 | ND1 | CG | 0.6° | 0.0° |
| CE1 | NE2 | CD2 | CG | 0.3° | 0.0° |
| CE1 | NE2 | CD2 | HD2 | 179.7° | 179.9° |
| O12 | CE1 | ND1 | CG | 179.0° | 179.7° |
| O12 | CE1 | NE2 | CD2 | 178.8° | 179.8° |
| ND1 | CG | CD2 | NE2 | 0.0° | 0.0° |
| ND1 | CG | CD2 | CB | 179.9° | 179.9° |
| ND1 | CG | CD2 | HD2 | 179.9° | 179.9° |
| ND1 | CG | CB | CA | 25.0° | 0.1° |
| ND1 | CG | CB | HB1 | 95.0° | 120.0° |
| ND1 | CG | CB | HB2 | 146.1° | 120.0° |
| NE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
| NE2 | CD2 | CG | CB | 179.9° | 180.0° |
| CD2 | CG | CB | CA | 155.1° | 180.0° |
| CD2 | CG | CB | HB1 | 84.9° | 60.1° |
| CD2 | CG | CB | HB2 | 34.0° | 60.0° |
| HD2 | CD2 | CG | CB | 0.1° | 0.1° |
| CG | CB | CA | HB1 | 120.0° | 120.0° |
| CG | CB | CA | HB2 | 121.1° | 120.0° |
| CG | CB | HB1 | HB2 | 121.1° | 120.0° |
| CG | CB | CA | N | 62.7° | 65.0° |
| CG | CB | CA | C | 170.1° | 174.9° |
| CG | CB | CA | HA | 54.2° | 55.0° |
| CA | CB | HB1 | HB2 | 121.2° | 120.0° |
| CB | CA | N | C | 125.8° | 120.1° |
| CB | CA | N | HA | 118.6° | 120.0° |
| CB | CA | C | HA | 118.5° | 120.0° |
| CB | CA | N | H | 7.3° | 176.0° |
| CB | CA | N | H2 | 127.4° | 60.0° |
| CB | CA | C | O | 68.6° | 100.0° |
| CB | CA | C | OXT | 86.2° | 80.0° |
| HB1 | CB | CA | N | 177.3° | 175.0° |
| HB1 | CB | CA | C | 50.1° | 55.0° |
| HB1 | CB | CA | HA | 65.8° | 65.0° |
| HB2 | CB | CA | N | 58.4° | 55.0° |
| HB2 | CB | CA | C | 68.8° | 65.0° |
| HB2 | CB | CA | HA | 175.3° | 175.0° |
| N | CA | C | HA | 116.4° | 120.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | O | 166.3° | 20.0° |
| N | CA | C | OXT | 148.7° | 160.0° |
| C | CA | N | H | 133.1° | 63.9° |
| C | CA | N | H2 | 106.9° | 60.0° |
| CA | C | O | OXT | 23.4° | 180.0° |
| CA | C | OXT | HXT | 90.0° | 180.0° |
| HA | CA | N | H | 111.3° | 56.0° |
| HA | CA | N | H2 | 8.7° | 180.0° |
| HA | CA | C | O | 49.8° | 140.0° |
| HA | CA | C | OXT | 32.3° | 40.0° |
| O | C | OXT | HXT | 90.0° | 0.0° |
