DHI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.50Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.34Å | 1.22Å | |
| C | OXT | sing | 1.21Å | 1.33Å | |
| CB | CG | sing | 1.51Å | 1.50Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | ND1 | sing | 1.34Å | 1.37Å | Aromatic |
| CG | CD2 | doub | 1.35Å | 1.36Å | Aromatic |
| ND1 | CE1 | doub | 1.31Å | 1.33Å | Aromatic |
| ND1 | HD1 | sing | 0.97Å | 1.02Å | |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.10Å | |
| CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| NE2 | HE2 | sing | 0.97Å | 1.02Å | |
| OXT | HXT | sing | 3.30Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 107.3° | 106.7° |
| CA | N | H2 | 113.1° | 106.7° |
| N | CA | C | 107.3° | 109.5° |
| N | CA | CB | 110.3° | 109.4° |
| N | CA | HA | 111.2° | 109.5° |
| H | N | H2 | 113.0° | 106.7° |
| C | CA | CB | 111.8° | 109.5° |
| C | CA | HA | 109.7° | 109.5° |
| CA | C | O | 120.8° | 120.0° |
| CA | C | OXT | 116.1° | 120.0° |
| CB | CA | HA | 106.6° | 109.5° |
| CA | CB | CG | 113.1° | 109.5° |
| CA | CB | HB2 | 110.9° | 109.5° |
| CA | CB | HB3 | 110.9° | 109.5° |
| O | C | OXT | 123.1° | 120.0° |
| C | OXT | HXT | 116.1° | 40.7° |
| CG | CB | HB2 | 110.9° | 109.4° |
| CG | CB | HB3 | 110.9° | 109.5° |
| CB | CG | ND1 | 123.4° | 126.0° |
| CB | CG | CD2 | 130.1° | 126.0° |
| HB2 | CB | HB3 | 99.4° | 109.5° |
| ND1 | CG | CD2 | 106.5° | 108.0° |
| CG | ND1 | CE1 | 109.1° | 109.2° |
| CG | ND1 | HD1 | 126.8° | 125.4° |
| CG | CD2 | NE2 | 106.9° | 106.8° |
| CG | CD2 | HD2 | 126.1° | 126.6° |
| CE1 | ND1 | HD1 | 124.1° | 125.4° |
| ND1 | CE1 | NE2 | 108.3° | 108.7° |
| ND1 | CE1 | HE1 | 126.1° | 125.6° |
| NE2 | CD2 | HD2 | 126.9° | 126.6° |
| CD2 | NE2 | CE1 | 109.2° | 107.2° |
| CD2 | NE2 | HE2 | 127.0° | 126.4° |
| NE2 | CE1 | HE1 | 125.6° | 125.6° |
| CE1 | NE2 | HE2 | 123.8° | 126.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | C | CB | 121.1° | 119.9° |
| N | CA | C | HA | 120.9° | 120.0° |
| N | CA | CB | HA | 120.8° | 120.0° |
| N | CA | C | O | 56.9° | 160.1° |
| N | CA | C | OXT | 124.8° | 19.9° |
| N | CA | CB | CG | 73.1° | 65.0° |
| N | CA | CB | HB2 | 161.7° | 175.0° |
| N | CA | CB | HB3 | 52.2° | 55.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 57.9° | 60.0° |
| H | N | CA | HA | 60.1° | 180.0° |
| H2 | N | CA | C | 54.7° | 53.8° |
| H2 | N | CA | CB | 176.7° | 173.8° |
| H2 | N | CA | HA | 65.2° | 66.2° |
| C | CA | CB | HA | 119.9° | 120.1° |
| CA | C | O | OXT | 178.2° | 180.0° |
| C | CA | CB | CG | 167.6° | 175.0° |
| C | CA | CB | HB2 | 42.4° | 55.1° |
| C | CA | CB | HB3 | 67.1° | 65.0° |
| CA | C | OXT | HXT | 180.0° | 18.6° |
| CB | CA | C | O | 64.2° | 80.0° |
| CB | CA | C | OXT | 114.1° | 100.0° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | CG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 116.8° | 120.0° |
| CA | CB | CG | ND1 | 162.7° | 95.3° |
| CA | CB | CG | CD2 | 14.8° | 85.0° |
| HA | CA | C | O | 177.8° | 40.0° |
| HA | CA | C | OXT | 3.9° | 140.0° |
| HA | CA | CB | CG | 47.8° | 54.9° |
| HA | CA | CB | HB2 | 77.5° | 65.0° |
| HA | CA | CB | HB3 | 173.0° | 174.9° |
| O | C | OXT | HXT | 1.8° | 161.4° |
| CG | CB | HB2 | HB3 | 116.8° | 120.0° |
| CB | CG | ND1 | CD2 | 178.0° | 179.8° |
| CB | CG | ND1 | CE1 | 177.2° | 179.9° |
| CB | CG | ND1 | HD1 | 2.7° | 0.2° |
| CB | CG | CD2 | NE2 | 176.9° | 180.0° |
| CB | CG | CD2 | HD2 | 3.0° | 0.1° |
| HB2 | CB | CG | ND1 | 72.0° | 144.7° |
| HB2 | CB | CG | CD2 | 110.5° | 35.0° |
| HB3 | CB | CG | ND1 | 37.5° | 24.7° |
| HB3 | CB | CG | CD2 | 140.0° | 155.0° |
| CG | ND1 | CE1 | HD1 | 179.9° | 179.7° |
| ND1 | CG | CD2 | NE2 | 0.9° | 0.2° |
| ND1 | CG | CD2 | HD2 | 179.2° | 179.8° |
| CG | ND1 | CE1 | NE2 | 0.3° | 0.4° |
| CG | ND1 | CE1 | HE1 | 179.7° | 179.9° |
| CD2 | CG | ND1 | CE1 | 0.7° | 0.4° |
| CD2 | CG | ND1 | HD1 | 179.3° | 179.9° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.9° |
| CG | CD2 | NE2 | CE1 | 0.7° | 0.0° |
| CG | CD2 | NE2 | HE2 | 179.3° | 180.0° |
| ND1 | CE1 | NE2 | CD2 | 0.2° | 0.2° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 179.7° |
| ND1 | CE1 | NE2 | HE2 | 179.7° | 179.8° |
| HD1 | ND1 | CE1 | NE2 | 179.7° | 179.9° |
| HD1 | ND1 | CE1 | HE1 | 0.3° | 0.2° |
| CD2 | NE2 | CE1 | HE2 | 180.0° | 180.0° |
| CD2 | NE2 | CE1 | HE1 | 179.8° | 180.0° |
| HD2 | CD2 | NE2 | CE1 | 179.3° | 179.9° |
| HD2 | CD2 | NE2 | HE2 | 0.7° | 0.0° |
| HE1 | CE1 | NE2 | HE2 | 0.3° | 0.1° |
