004
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | CB | sing | 1.51Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.38Å | 1.55Å | Aromatic |
| CE | CD1 | sing | 1.38Å | 1.55Å | Aromatic |
| CE | HE | sing | 1.08Å | 1.08Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE | doub | 1.38Å | 1.55Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CG1 | CD1 | doub | 1.38Å | 1.55Å | Aromatic |
| CG1 | HG1 | sing | 1.08Å | 1.08Å | |
| CG2 | CB | doub | 1.38Å | 1.54Å | Aromatic |
| CG2 | CD2 | sing | 1.38Å | 1.55Å | Aromatic |
| CG2 | HG2 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 118.5° | 119.9° |
| O | C | CA | 123.0° | 120.1° |
| OXT | C | CA | 118.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| H | N | CA | 109.5° | 111.0° |
| H2 | N | CA | 109.5° | 110.9° |
| C | CA | N | 114.8° | 109.5° |
| C | CA | CB | 105.9° | 109.4° |
| C | CA | HA | 107.5° | 109.5° |
| N | CA | CB | 106.6° | 109.5° |
| N | CA | HA | 106.8° | 109.5° |
| CB | CA | HA | 115.6° | 109.5° |
| CA | CB | CG1 | 121.4° | 120.0° |
| CA | CB | CG2 | 120.6° | 120.0° |
| CB | CG1 | CD1 | 122.4° | 120.0° |
| CB | CG1 | HG1 | 118.8° | 120.0° |
| CG1 | CB | CG2 | 118.0° | 120.0° |
| CD1 | CE | HE | 120.5° | 120.0° |
| CE | CD1 | HD1 | 120.5° | 120.0° |
| CD1 | CE | CD2 | 119.1° | 120.0° |
| CE | CD1 | CG1 | 118.9° | 120.0° |
| HE | CE | CD2 | 120.5° | 120.0° |
| HD1 | CD1 | CG1 | 120.5° | 120.0° |
| CE | CD2 | HD2 | 119.4° | 120.0° |
| CE | CD2 | CG2 | 121.2° | 120.0° |
| HD2 | CD2 | CG2 | 119.4° | 120.0° |
| CD1 | CG1 | HG1 | 118.8° | 120.0° |
| CB | CG2 | CD2 | 120.4° | 120.0° |
| CB | CG2 | HG2 | 119.8° | 119.9° |
| CD2 | CG2 | HG2 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 180.0° | 179.7° |
| O | C | CA | N | 46.0° | 20.0° |
| O | C | CA | CB | 71.3° | 100.0° |
| O | C | CA | HA | 164.6° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | N | 134.0° | 160.3° |
| OXT | C | CA | CB | 108.6° | 79.7° |
| OXT | C | CA | HA | 15.4° | 40.3° |
| H | N | H2 | CA | 120.0° | 123.9° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 63.1° | 59.9° |
| H | N | CA | HA | 61.0° | 180.0° |
| H2 | N | CA | C | 60.0° | 176.1° |
| H2 | N | CA | CB | 176.9° | 64.0° |
| H2 | N | CA | HA | 59.0° | 56.1° |
| C | CA | N | CB | 116.9° | 120.0° |
| C | CA | N | HA | 119.0° | 120.0° |
| C | CA | CB | HA | 118.8° | 120.0° |
| C | CA | CB | CG1 | 10.2° | 100.0° |
| C | CA | CB | CG2 | 169.3° | 80.3° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| N | CA | CB | HA | 118.5° | 120.1° |
| N | CA | CB | CG1 | 112.5° | 140.0° |
| N | CA | CB | CG2 | 68.0° | 39.7° |
| CA | CB | CG1 | CG2 | 179.5° | 179.7° |
| CA | CB | CG1 | CD1 | 179.4° | 180.0° |
| CA | CB | CG1 | HG1 | 0.6° | 0.1° |
| CA | CB | CG2 | CD2 | 179.4° | 180.0° |
| CA | CB | CG2 | HG2 | 0.6° | 0.0° |
| HA | CA | CB | CG1 | 129.0° | 19.9° |
| HA | CA | CB | CG2 | 50.4° | 159.7° |
| CB | CG1 | CD1 | CE | 0.3° | 0.1° |
| CB | CG1 | CD1 | HD1 | 179.7° | 179.7° |
| CB | CG1 | CD1 | HG1 | 180.0° | 179.9° |
| CG1 | CB | CG2 | CD2 | 0.1° | 0.3° |
| CG1 | CB | CG2 | HG2 | 179.9° | 179.7° |
| CD1 | CE | HE | CD2 | 180.0° | 179.9° |
| CE | CD1 | HD1 | CG1 | 180.0° | 179.9° |
| CD1 | CE | CD2 | HD2 | 179.1° | 180.0° |
| CE | CD1 | CG1 | HG1 | 179.7° | 180.0° |
| CD1 | CE | CD2 | CG2 | 0.9° | 0.2° |
| HE | CE | CD1 | HD1 | 0.8° | 0.1° |
| HE | CE | CD2 | HD2 | 0.9° | 0.0° |
| HE | CE | CD1 | CG1 | 179.2° | 179.8° |
| HE | CE | CD2 | CG2 | 179.1° | 179.7° |
| HD1 | CD1 | CE | CD2 | 179.2° | 180.0° |
| HD1 | CD1 | CG1 | HG1 | 0.3° | 0.2° |
| CE | CD2 | HD2 | CG2 | 180.0° | 179.8° |
| CD2 | CE | CD1 | CG1 | 0.8° | 0.2° |
| CE | CD2 | CG2 | CB | 0.4° | 0.1° |
| CE | CD2 | CG2 | HG2 | 179.6° | 179.9° |
| HD2 | CD2 | CG2 | CB | 179.6° | 179.7° |
| HD2 | CD2 | CG2 | HG2 | 0.4° | 0.3° |
| CD1 | CG1 | CB | CG2 | 0.1° | 0.3° |
| HG1 | CG1 | CB | CG2 | 179.9° | 179.7° |
| CB | CG2 | CD2 | HG2 | 180.0° | 180.0° |
