00E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | O | doub | 1.21Å | 1.44Å | |
| CA | NB | sing | 1.47Å | 1.55Å | |
| NB | CD1 | sing | 1.47Å | 1.54Å | |
| OZ | CE1 | sing | 1.43Å | 1.53Å | |
| CD1 | CE1 | sing | 1.53Å | 1.53Å | |
| CD2 | NB | sing | 1.47Å | 1.55Å | |
| CD2 | CE2 | sing | 1.53Å | 1.54Å | |
| CE2 | OZ | sing | 1.43Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| CA | HAB | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1A | sing | 1.09Å | 1.10Å | |
| CD2 | HD2 | sing | 1.09Å | 1.10Å | |
| CD2 | HD2A | sing | 1.09Å | 1.10Å | |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| CE1 | HE1A | sing | 1.09Å | 1.10Å | |
| CE2 | HE2 | sing | 1.09Å | 1.10Å | |
| CE2 | HE2A | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | C | O | 104.3° | 120.0° |
| C | CA | NB | 107.7° | 109.5° |
| CA | C | OXT | 130.3° | 120.0° |
| C | CA | HAA | 110.1° | 109.5° |
| C | CA | HAB | 110.0° | 109.5° |
| O | C | OXT | 125.4° | 120.0° |
| CA | NB | CD1 | 110.7° | 111.1° |
| CA | NB | CD2 | 109.4° | 111.0° |
| NB | CA | HAA | 110.1° | 109.5° |
| NB | CA | HAB | 110.1° | 109.5° |
| NB | CD1 | CE1 | 114.8° | 109.3° |
| CD1 | NB | CD2 | 114.2° | 110.7° |
| NB | CD1 | HD1 | 107.8° | 109.5° |
| NB | CD1 | HD1A | 107.7° | 109.5° |
| OZ | CE1 | CD1 | 112.1° | 109.3° |
| CE1 | OZ | CE2 | 110.7° | 113.7° |
| OZ | CE1 | HE1 | 108.6° | 109.6° |
| OZ | CE1 | HE1A | 108.6° | 109.5° |
| CE1 | CD1 | HD1 | 107.7° | 109.5° |
| CE1 | CD1 | HD1A | 107.7° | 109.5° |
| CD1 | CE1 | HE1 | 108.6° | 109.5° |
| CD1 | CE1 | HE1A | 108.6° | 109.5° |
| NB | CD2 | CE2 | 119.1° | 109.3° |
| NB | CD2 | HD2 | 106.4° | 109.5° |
| NB | CD2 | HD2A | 106.4° | 109.5° |
| CD2 | CE2 | OZ | 113.0° | 109.3° |
| CE2 | CD2 | HD2 | 106.4° | 109.5° |
| CE2 | CD2 | HD2A | 106.4° | 109.5° |
| CD2 | CE2 | HE2 | 108.3° | 109.6° |
| CD2 | CE2 | HE2A | 108.3° | 109.5° |
| OZ | CE2 | HE2 | 108.4° | 109.5° |
| OZ | CE2 | HE2A | 108.3° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| HAA | CA | HAB | 108.9° | 109.5° |
| HD1 | CD1 | HD1A | 111.1° | 109.5° |
| HD2 | CD2 | HD2A | 112.4° | 109.6° |
| HE1 | CE1 | HE1A | 110.3° | 109.5° |
| HE2 | CE2 | HE2A | 110.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 180.0° | 179.8° |
| C | CA | NB | HAA | 120.0° | 120.0° |
| C | CA | NB | HAB | 120.0° | 120.0° |
| C | CA | NB | CD1 | 76.2° | 170.0° |
| C | CA | NB | CD2 | 50.4° | 66.3° |
| C | CA | HAA | HAB | 120.7° | 120.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| O | C | CA | NB | 83.1° | 0.0° |
| O | C | CA | HAA | 36.9° | 120.0° |
| O | C | CA | HAB | 156.8° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| CA | NB | CD1 | CD2 | 123.9° | 123.8° |
| CA | NB | CD1 | CE1 | 159.4° | 177.6° |
| CA | NB | CD2 | CE2 | 153.4° | 177.6° |
| NB | CA | C | OXT | 96.9° | 179.7° |
| NB | CA | HAA | HAB | 120.8° | 120.0° |
| CA | NB | CD1 | HD1 | 39.4° | 62.4° |
| CA | NB | CD1 | HD1A | 80.6° | 57.6° |
| CA | NB | CD2 | HD2 | 86.7° | 57.6° |
| CA | NB | CD2 | HD2A | 33.4° | 62.5° |
| NB | CD1 | CE1 | OZ | 52.4° | 56.9° |
| NB | CD1 | CE1 | HD1 | 120.0° | 120.0° |
| NB | CD1 | CE1 | HD1A | 120.0° | 119.9° |
| CD1 | NB | CD2 | CE2 | 28.7° | 58.6° |
| CD1 | NB | CA | HAA | 43.7° | 70.0° |
| CD1 | NB | CA | HAB | 163.8° | 50.0° |
| NB | CD1 | HD1 | HD1A | 117.8° | 120.0° |
| CD1 | NB | CD2 | HD2 | 148.7° | 178.5° |
| CD1 | NB | CD2 | HD2A | 91.3° | 61.3° |
| NB | CD1 | CE1 | HE1 | 67.6° | 63.1° |
| NB | CD1 | CE1 | HE1A | 172.4° | 176.8° |
| OZ | CE1 | CD1 | HE1 | 120.0° | 120.0° |
| OZ | CE1 | CD1 | HE1A | 120.0° | 119.9° |
| CE1 | OZ | CE2 | CD2 | 52.1° | 58.7° |
| OZ | CE1 | CD1 | HD1 | 67.7° | 63.1° |
| OZ | CE1 | CD1 | HD1A | 172.4° | 176.8° |
| OZ | CE1 | HE1 | HE1A | 118.9° | 120.1° |
| CE1 | OZ | CE2 | HE2 | 67.9° | 178.7° |
| CE1 | OZ | CE2 | HE2A | 172.1° | 61.3° |
| CE1 | CD1 | NB | CD2 | 35.4° | 58.6° |
| CD1 | CE1 | OZ | CE2 | 60.4° | 58.7° |
| CE1 | CD1 | HD1 | HD1A | 117.8° | 120.1° |
| CD1 | CE1 | HE1 | HE1A | 119.0° | 120.1° |
| NB | CD2 | CE2 | HD2 | 120.0° | 120.0° |
| NB | CD2 | CE2 | HD2A | 120.0° | 119.9° |
| NB | CD2 | CE2 | OZ | 37.5° | 56.8° |
| CD2 | NB | CA | HAA | 170.4° | 53.7° |
| CD2 | NB | CA | HAB | 69.6° | 173.7° |
| CD2 | NB | CD1 | HD1 | 84.6° | 61.4° |
| CD2 | NB | CD1 | HD1A | 155.4° | 178.5° |
| NB | CD2 | HD2 | HD2A | 116.1° | 120.1° |
| NB | CD2 | CE2 | HE2 | 82.5° | 176.7° |
| NB | CD2 | CE2 | HE2A | 157.5° | 63.1° |
| CD2 | CE2 | OZ | HE2 | 120.0° | 120.0° |
| CD2 | CE2 | OZ | HE2A | 120.0° | 119.9° |
| CE2 | CD2 | HD2 | HD2A | 116.0° | 120.1° |
| CD2 | CE2 | HE2 | HE2A | 118.6° | 120.1° |
| OZ | CE2 | CD2 | HD2 | 157.5° | 176.8° |
| OZ | CE2 | CD2 | HD2A | 82.5° | 63.1° |
| CE2 | OZ | CE1 | HE1 | 59.6° | 61.3° |
| CE2 | OZ | CE1 | HE1A | 179.6° | 178.6° |
| OZ | CE2 | HE2 | HE2A | 118.6° | 120.1° |
| OXT | C | CA | HAA | 143.1° | 59.7° |
| OXT | C | CA | HAB | 23.1° | 60.3° |
| HD1 | CD1 | CE1 | HE1 | 172.3° | 176.9° |
| HD1 | CD1 | CE1 | HE1A | 52.4° | 56.8° |
| HD1A | CD1 | CE1 | HE1 | 52.4° | 56.8° |
| HD1A | CD1 | CE1 | HE1A | 67.6° | 63.3° |
| HD2 | CD2 | CE2 | HE2 | 37.5° | 63.3° |
| HD2 | CD2 | CE2 | HE2A | 82.5° | 56.9° |
| HD2A | CD2 | CE2 | HE2 | 157.5° | 56.9° |
| HD2A | CD2 | CE2 | HE2A | 37.5° | 177.0° |
