MHW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | doub | 1.33Å | 1.35Å | Aromatic |
| N | CE | sing | 1.31Å | 1.32Å | Aromatic |
| CA | C | sing | 1.48Å | 1.49Å | |
| CA | CB | sing | 1.40Å | 1.40Å | Aromatic |
| C | O | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.35Å | 1.32Å | |
| CB | OG1 | sing | 1.36Å | 1.34Å | |
| CB | CG2 | doub | 1.39Å | 1.39Å | Aromatic |
| CG2 | CD | sing | 1.38Å | 1.35Å | Aromatic |
| CD | CE | doub | 1.39Å | 1.38Å | Aromatic |
| CE | HE | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OG1 | HG1 | sing | 0.97Å | 0.95Å | |
| CG2 | HG2 | sing | 1.08Å | 1.08Å | |
| CD | HD | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | CE | 116.4° | 121.7° |
| N | CA | C | 118.0° | 119.8° |
| N | CA | CB | 122.8° | 120.4° |
| N | CE | CD | 124.0° | 121.1° |
| N | CE | HE | 118.0° | 119.5° |
| C | CA | CB | 119.3° | 119.7° |
| CA | C | O | 119.2° | 120.0° |
| CA | C | OXT | 116.9° | 119.9° |
| CA | CB | OG1 | 121.4° | 120.6° |
| CA | CB | CG2 | 118.8° | 118.9° |
| O | C | OXT | 123.9° | 120.0° |
| C | OXT | HXT | 109.5° | 116.9° |
| OG1 | CB | CG2 | 119.8° | 120.5° |
| CB | OG1 | HG1 | 109.5° | 114.1° |
| CB | CG2 | CD | 117.5° | 118.4° |
| CB | CG2 | HG2 | 121.2° | 120.8° |
| CG2 | CD | CE | 120.5° | 119.5° |
| CD | CG2 | HG2 | 121.2° | 120.8° |
| CG2 | CD | HD | 119.8° | 120.2° |
| CD | CE | HE | 118.0° | 119.4° |
| CE | CD | HD | 119.7° | 120.3° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 179.5° | 180.0° |
| N | CA | C | O | 179.8° | 180.0° |
| N | CA | C | OXT | 0.7° | 0.0° |
| N | CA | CB | OG1 | 179.8° | 179.9° |
| N | CA | CB | CG2 | 0.1° | 0.0° |
| CA | N | CE | CD | 0.2° | 0.0° |
| CA | N | CE | HE | 179.8° | 179.9° |
| CE | N | CA | C | 179.8° | 180.0° |
| CE | N | CA | CB | 0.3° | 0.1° |
| N | CE | CD | CG2 | 0.0° | 0.0° |
| N | CE | CD | HE | 180.0° | 179.9° |
| N | CE | CD | HD | 180.0° | 180.0° |
| CA | C | O | OXT | 179.4° | 180.0° |
| C | CA | CB | OG1 | 0.3° | 0.0° |
| C | CA | CB | CG2 | 179.6° | 180.0° |
| CA | C | OXT | HXT | 179.4° | 180.0° |
| CB | CA | C | O | 0.3° | 0.0° |
| CB | CA | C | OXT | 179.7° | 180.0° |
| CA | CB | OG1 | CG2 | 179.9° | 180.0° |
| CA | CB | CG2 | CD | 0.1° | 0.0° |
| CA | CB | OG1 | HG1 | 86.4° | 89.9° |
| CA | CB | CG2 | HG2 | 180.0° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OG1 | CB | CG2 | CD | 180.0° | 180.0° |
| OG1 | CB | CG2 | HG2 | 0.0° | 0.0° |
| CB | CG2 | CD | HG2 | 180.0° | 180.0° |
| CB | CG2 | CD | CE | 0.1° | 0.0° |
| CG2 | CB | OG1 | HG1 | 93.6° | 90.0° |
| CB | CG2 | CD | HD | 179.9° | 180.0° |
| CG2 | CD | CE | HD | 180.0° | 180.0° |
| CG2 | CD | CE | HE | 180.0° | 179.9° |
| CE | CD | CG2 | HG2 | 179.9° | 180.0° |
| HE | CE | CD | HD | 0.0° | 0.1° |
| HG2 | CG2 | CD | HD | 0.1° | 0.0° |
