OAC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.35Å | |
| C | CA | sing | 1.51Å | 1.59Å | |
| C | OXT | sing | 1.34Å | 1.54Å | |
| CA | CB1 | sing | 1.53Å | 1.53Å | |
| CA | CB2 | sing | 1.53Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB1 | CG | sing | 1.51Å | 1.56Å | |
| CB1 | HB11 | sing | 1.09Å | 1.11Å | |
| CB1 | HB12 | sing | 1.09Å | 1.11Å | |
| CB2 | HB21 | sing | 1.09Å | 1.11Å | |
| CB2 | HB22 | sing | 1.09Å | 1.12Å | |
| CB2 | HB23 | sing | 1.09Å | 1.12Å | |
| CG | CD1 | doub | 1.38Å | 1.42Å | Aromatic |
| CG | CD2 | sing | 1.39Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.35Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.37Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CZ | CE2 | sing | 1.38Å | 1.48Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CE2 | CD2 | doub | 1.39Å | 1.53Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CD2 | OH | sing | 1.36Å | 1.44Å | |
| OH | HH | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 133.5° | 120.0° |
| O | C | OXT | 114.3° | 120.0° |
| CA | C | OXT | 112.0° | 120.0° |
| C | CA | CB1 | 117.8° | 109.5° |
| C | CA | CB2 | 103.3° | 109.5° |
| C | CA | HA | 163.0° | 109.5° |
| C | OXT | HXT | 114.3° | 120.0° |
| CB1 | CA | CB2 | 138.9° | 109.5° |
| CB1 | CA | HA | 46.3° | 109.5° |
| CA | CB1 | CG | 131.9° | 109.5° |
| CA | CB1 | HB11 | 104.4° | 109.5° |
| CA | CB1 | HB12 | 104.5° | 109.5° |
| CB2 | CA | HA | 93.0° | 109.5° |
| CA | CB2 | HB21 | 103.3° | 109.5° |
| CA | CB2 | HB22 | 114.6° | 109.5° |
| CA | CB2 | HB23 | 114.6° | 109.5° |
| CG | CB1 | HB11 | 104.5° | 109.4° |
| CG | CB1 | HB12 | 104.5° | 109.5° |
| CB1 | CG | CD1 | 121.3° | 120.0° |
| CB1 | CG | CD2 | 116.7° | 120.0° |
| HB11 | CB1 | HB12 | 104.5° | 109.4° |
| HB21 | CB2 | HB22 | 114.5° | 109.5° |
| HB21 | CB2 | HB23 | 114.5° | 109.4° |
| HB22 | CB2 | HB23 | 95.9° | 109.5° |
| CD1 | CG | CD2 | 121.9° | 120.0° |
| CG | CD1 | CE1 | 122.9° | 120.0° |
| CG | CD1 | HD1 | 121.5° | 120.0° |
| CG | CD2 | CE2 | 116.1° | 119.9° |
| CG | CD2 | OH | 128.5° | 120.1° |
| CE1 | CD1 | HD1 | 115.6° | 120.0° |
| CD1 | CE1 | CZ | 120.5° | 120.1° |
| CD1 | CE1 | HE1 | 118.7° | 120.0° |
| CZ | CE1 | HE1 | 120.8° | 119.9° |
| CE1 | CZ | CE2 | 121.3° | 120.1° |
| CE1 | CZ | HZ | 115.6° | 119.9° |
| CE2 | CZ | HZ | 123.1° | 120.0° |
| CZ | CE2 | CD2 | 117.1° | 119.9° |
| CZ | CE2 | HE2 | 119.9° | 120.0° |
| CD2 | CE2 | HE2 | 123.0° | 120.0° |
| CE2 | CD2 | OH | 115.4° | 120.0° |
| CD2 | OH | HH | 128.5° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 174.4° | 180.0° |
| O | C | CA | CB1 | 179.7° | 0.0° |
| O | C | CA | CB2 | 1.4° | 120.0° |
| O | C | CA | HA | 161.6° | 120.0° |
| O | C | OXT | HXT | 180.0° | 0.0° |
| C | CA | CB1 | CB2 | 177.4° | 120.0° |
| C | CA | CB1 | HA | 172.6° | 120.0° |
| C | CA | CB2 | HA | 175.1° | 120.0° |
| C | CA | CB1 | CG | 175.9° | 180.0° |
| C | CA | CB1 | HB11 | 50.7° | 60.0° |
| C | CA | CB1 | HB12 | 58.8° | 60.0° |
| C | CA | CB2 | HB21 | 180.0° | 60.0° |
| C | CA | CB2 | HB22 | 54.7° | 60.0° |
| C | CA | CB2 | HB23 | 54.8° | 180.0° |
| CA | C | OXT | HXT | 4.5° | 180.0° |
| OXT | C | CA | CB1 | 5.9° | 180.0° |
| OXT | C | CA | CB2 | 175.8° | 60.0° |
| OXT | C | CA | HA | 12.8° | 60.0° |
| CB1 | CA | CB2 | HA | 7.3° | 120.0° |
| CA | CB1 | CG | HB11 | 125.2° | 120.0° |
| CA | CB1 | CG | HB12 | 125.3° | 120.0° |
| CA | CB1 | HB11 | HB12 | 109.4° | 120.0° |
| CB1 | CA | CB2 | HB21 | 2.4° | 60.0° |
| CB1 | CA | CB2 | HB22 | 122.9° | 180.0° |
| CB1 | CA | CB2 | HB23 | 127.6° | 60.0° |
| CA | CB1 | CG | CD1 | 4.5° | 90.0° |
| CA | CB1 | CG | CD2 | 178.1° | 90.3° |
| CB2 | CA | CB1 | CG | 6.7° | 60.0° |
| CB2 | CA | CB1 | HB11 | 131.9° | 180.0° |
| CB2 | CA | CB1 | HB12 | 118.6° | 60.1° |
| CA | CB2 | HB21 | HB22 | 125.3° | 120.0° |
| CA | CB2 | HB21 | HB23 | 125.3° | 120.0° |
| CA | CB2 | HB22 | HB23 | 120.5° | 120.1° |
| HA | CA | CB1 | CG | 3.4° | 60.0° |
| HA | CA | CB1 | HB11 | 121.9° | 60.0° |
| HA | CA | CB1 | HB12 | 128.7° | 180.0° |
| HA | CA | CB2 | HB21 | 4.9° | 180.0° |
| HA | CA | CB2 | HB22 | 130.2° | 60.0° |
| HA | CA | CB2 | HB23 | 120.3° | 60.0° |
| CG | CB1 | HB11 | HB12 | 109.5° | 120.0° |
| CB1 | CG | CD1 | CD2 | 177.3° | 179.7° |
| CB1 | CG | CD1 | CE1 | 179.6° | 180.0° |
| CB1 | CG | CD1 | HD1 | 0.4° | 0.0° |
| CB1 | CG | CD2 | CE2 | 176.8° | 179.8° |
| CB1 | CG | CD2 | OH | 2.3° | 0.3° |
| HB11 | CB1 | CG | CD1 | 129.8° | 30.0° |
| HB11 | CB1 | CG | CD2 | 52.8° | 149.7° |
| HB12 | CB1 | CG | CD1 | 120.7° | 149.9° |
| HB12 | CB1 | CG | CD2 | 56.7° | 29.8° |
| HB21 | CB2 | HB22 | HB23 | 120.4° | 119.9° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | CD1 | CE1 | CZ | 4.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 175.7° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.6° | 0.5° |
| CD1 | CG | CD2 | OH | 179.7° | 180.0° |
| CD2 | CG | CD1 | CE1 | 2.3° | 0.3° |
| CD2 | CG | CD1 | HD1 | 177.7° | 179.7° |
| CG | CD2 | CE2 | CZ | 1.6° | 0.5° |
| CG | CD2 | CE2 | OH | 179.2° | 179.5° |
| CG | CD2 | CE2 | HE2 | 178.4° | 179.7° |
| CG | CD2 | OH | HH | 180.0° | 90.5° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 3.1° | 0.0° |
| CD1 | CE1 | CZ | HZ | 176.9° | 180.0° |
| HD1 | CD1 | CE1 | CZ | 175.8° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 4.2° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.2° |
| CE1 | CZ | CE2 | HE2 | 179.8° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 176.9° | 180.0° |
| HE1 | CE1 | CZ | HZ | 3.1° | 0.1° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.8° |
| CZ | CE2 | CD2 | OH | 179.2° | 180.0° |
| HZ | CZ | CE2 | CD2 | 179.8° | 179.8° |
| HZ | CZ | CE2 | HE2 | 0.2° | 0.0° |
| CE2 | CD2 | OH | HH | 1.0° | 90.0° |
| HE2 | CE2 | CD2 | OH | 0.8° | 0.2° |
