3PL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.22Å | |
| C | CA | sing | 1.51Å | 1.55Å | |
| C | H | sing | 1.08Å | 1.10Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | HA1 | sing | 1.09Å | 1.11Å | |
| CA | HA2 | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.38Å | 1.38Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.41Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.10Å | |
| CE1 | CZ | doub | 1.38Å | 1.36Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.10Å | |
| CZ | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.10Å | |
| CE2 | CD2 | doub | 1.38Å | 1.41Å | Aromatic |
| CE2 | HE2 | sing | 1.08Å | 1.10Å | |
| CD2 | HD2 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.0° | 120.0° |
| O | C | H | 108.6° | 120.0° |
| CA | C | H | 131.4° | 120.0° |
| C | CA | CB | 119.7° | 109.5° |
| C | CA | HA1 | 108.5° | 109.5° |
| C | CA | HA2 | 108.5° | 109.5° |
| CB | CA | HA1 | 108.5° | 109.5° |
| CB | CA | HA2 | 108.5° | 109.4° |
| CA | CB | CG | 115.3° | 109.6° |
| CA | CB | HB1 | 110.1° | 109.5° |
| CA | CB | HB2 | 110.1° | 109.4° |
| HA1 | CA | HA2 | 101.5° | 109.4° |
| CG | CB | HB1 | 110.1° | 109.5° |
| CG | CB | HB2 | 110.1° | 109.5° |
| CB | CG | CD1 | 121.2° | 120.1° |
| CB | CG | CD2 | 120.5° | 120.0° |
| HB1 | CB | HB2 | 100.1° | 109.4° |
| CD1 | CG | CD2 | 118.3° | 120.0° |
| CG | CD1 | CE1 | 120.6° | 120.0° |
| CG | CD1 | HD1 | 118.8° | 119.9° |
| CG | CD2 | CE2 | 120.3° | 120.0° |
| CG | CD2 | HD2 | 118.8° | 120.0° |
| CE1 | CD1 | HD1 | 120.6° | 120.0° |
| CD1 | CE1 | CZ | 120.3° | 120.0° |
| CD1 | CE1 | HE1 | 121.6° | 120.0° |
| CZ | CE1 | HE1 | 118.1° | 120.0° |
| CE1 | CZ | CE2 | 119.9° | 120.0° |
| CE1 | CZ | HZ | 120.0° | 120.1° |
| CE2 | CZ | HZ | 120.2° | 120.0° |
| CZ | CE2 | CD2 | 120.6° | 120.0° |
| CZ | CE2 | HE2 | 118.0° | 120.0° |
| CD2 | CE2 | HE2 | 121.4° | 120.0° |
| CE2 | CD2 | HD2 | 120.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | H | 180.0° | 179.8° |
| O | C | CA | CB | 24.9° | 120.0° |
| O | C | CA | HA1 | 150.2° | 120.0° |
| O | C | CA | HA2 | 100.3° | 0.0° |
| C | CA | CB | HA1 | 125.3° | 120.0° |
| C | CA | CB | HA2 | 125.3° | 120.1° |
| C | CA | HA1 | HA2 | 114.2° | 120.0° |
| C | CA | CB | CG | 52.7° | 180.0° |
| C | CA | CB | HB1 | 178.0° | 59.9° |
| C | CA | CB | HB2 | 72.6° | 59.9° |
| H | C | CA | CB | 155.1° | 59.8° |
| H | C | CA | HA1 | 29.8° | 60.2° |
| H | C | CA | HA2 | 79.7° | 179.8° |
| CB | CA | HA1 | HA2 | 114.2° | 119.9° |
| CA | CB | CG | HB1 | 125.2° | 120.1° |
| CA | CB | CG | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB2 | 115.9° | 119.9° |
| CA | CB | CG | CD1 | 90.5° | 90.2° |
| CA | CB | CG | CD2 | 88.9° | 90.0° |
| HA1 | CA | CB | CG | 72.6° | 59.9° |
| HA1 | CA | CB | HB1 | 52.7° | 179.9° |
| HA1 | CA | CB | HB2 | 162.2° | 60.1° |
| HA2 | CA | CB | CG | 178.0° | 60.0° |
| HA2 | CA | CB | HB1 | 56.7° | 60.2° |
| HA2 | CA | CB | HB2 | 52.7° | 180.0° |
| CG | CB | HB1 | HB2 | 116.0° | 120.0° |
| CB | CG | CD1 | CD2 | 179.4° | 179.8° |
| CB | CG | CD1 | CE1 | 179.6° | 179.8° |
| CB | CG | CD1 | HD1 | 0.4° | 0.2° |
| CB | CG | CD2 | CE2 | 179.6° | 180.0° |
| CB | CG | CD2 | HD2 | 0.3° | 0.0° |
| HB1 | CB | CG | CD1 | 34.8° | 149.7° |
| HB1 | CB | CG | CD2 | 145.9° | 30.1° |
| HB2 | CB | CG | CD1 | 144.3° | 29.8° |
| HB2 | CB | CG | CD2 | 36.4° | 150.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 179.6° |
| CG | CD1 | CE1 | CZ | 0.4° | 0.4° |
| CG | CD1 | CE1 | HE1 | 179.6° | 179.7° |
| CD1 | CG | CD2 | CE2 | 0.3° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.7° | 179.8° |
| CD2 | CG | CD1 | CE1 | 0.2° | 0.4° |
| CD2 | CG | CD1 | HD1 | 179.8° | 180.0° |
| CG | CD2 | CE2 | CZ | 0.6° | 0.0° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | HE2 | 179.5° | 179.9° |
| CD1 | CE1 | CZ | HE1 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | CE2 | 0.7° | 0.2° |
| CD1 | CE1 | CZ | HZ | 179.3° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.6° | 180.0° |
| HD1 | CD1 | CE1 | HE1 | 0.4° | 0.1° |
| CE1 | CZ | CE2 | HZ | 180.0° | 179.9° |
| CE1 | CZ | CE2 | CD2 | 0.8° | 0.0° |
| CE1 | CZ | CE2 | HE2 | 179.2° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.3° | 179.9° |
| HE1 | CE1 | CZ | HZ | 0.7° | 0.0° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | HD2 | 179.4° | 180.0° |
| HZ | CZ | CE2 | CD2 | 179.2° | 179.9° |
| HZ | CZ | CE2 | HE2 | 0.8° | 0.1° |
| HE2 | CE2 | CD2 | HD2 | 0.6° | 0.0° |
