3MP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CB | HB1 | sing | 1.09Å | 1.08Å | |
| CB | HB2 | sing | 1.09Å | 1.07Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | CD1 | doub | 1.39Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.39Å | 1.39Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | NE2 | doub | 1.32Å | 1.34Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CZ | doub | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ | NE2 | sing | 1.32Å | 1.34Å | Aromatic |
| CZ | HZ | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CB | HB1 | 109.1° | 109.5° |
| CG | CB | HB2 | 109.7° | 109.6° |
| CG | CB | HB3 | 108.3° | 109.5° |
| CB | CG | CD1 | 120.5° | 120.4° |
| CB | CG | CD2 | 120.5° | 120.4° |
| HB1 | CB | HB2 | 109.6° | 109.4° |
| HB1 | CB | HB3 | 141.8° | 109.5° |
| HB2 | CB | HB3 | 49.0° | 109.4° |
| CD1 | CG | CD2 | 119.0° | 119.1° |
| CG | CD1 | CE1 | 118.2° | 118.5° |
| CG | CD1 | HD1 | 120.9° | 120.7° |
| CG | CD2 | NE2 | 123.2° | 120.8° |
| CG | CD2 | HD2 | 118.4° | 119.6° |
| CE1 | CD1 | HD1 | 120.9° | 120.8° |
| CD1 | CE1 | CZ | 119.0° | 119.2° |
| CD1 | CE1 | HE1 | 120.5° | 120.5° |
| NE2 | CD2 | HD2 | 118.4° | 119.6° |
| CD2 | NE2 | CZ | 117.3° | 121.7° |
| CZ | CE1 | HE1 | 120.5° | 120.4° |
| CE1 | CZ | NE2 | 123.2° | 120.7° |
| CE1 | CZ | HZ | 118.4° | 119.7° |
| NE2 | CZ | HZ | 118.4° | 119.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CB | HB1 | HB2 | 120.1° | 120.1° |
| CG | CB | HB1 | HB3 | 167.7° | 120.1° |
| CG | CB | HB2 | HB3 | 97.5° | 120.0° |
| CB | CG | CD1 | CD2 | 179.6° | 179.9° |
| CB | CG | CD1 | CE1 | 179.7° | 180.0° |
| CB | CG | CD1 | HD1 | 0.4° | 0.1° |
| CB | CG | CD2 | NE2 | 179.7° | 179.7° |
| CB | CG | CD2 | HD2 | 0.3° | 0.2° |
| HB1 | CB | HB2 | HB3 | 142.7° | 119.9° |
| HB1 | CB | CG | CD1 | 133.2° | 30.1° |
| HB1 | CB | CG | CD2 | 46.4° | 149.8° |
| HB2 | CB | CG | CD1 | 106.8° | 89.9° |
| HB2 | CB | CG | CD2 | 73.6° | 90.2° |
| HB3 | CB | CG | CD1 | 54.8° | 150.1° |
| HB3 | CB | CG | CD2 | 125.6° | 29.8° |
| CG | CD1 | CE1 | HD1 | 179.9° | 179.9° |
| CD1 | CG | CD2 | NE2 | 0.1° | 0.4° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.9° | 179.9° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.1° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.5° |
| CG | CD2 | NE2 | CZ | 0.1° | 0.5° |
| CD1 | CE1 | CZ | HE1 | 179.9° | 179.9° |
| CD1 | CE1 | CZ | NE2 | 0.0° | 0.1° |
| CD1 | CE1 | CZ | HZ | 179.9° | 179.9° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 179.9° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.0° |
| CD2 | NE2 | CZ | CE1 | 0.0° | 0.4° |
| CD2 | NE2 | CZ | HZ | 180.0° | 179.8° |
| HD2 | CD2 | NE2 | CZ | 180.0° | 179.9° |
| CE1 | CZ | NE2 | HZ | 180.0° | 179.8° |
| HE1 | CE1 | CZ | NE2 | 179.9° | 180.0° |
| HE1 | CE1 | CZ | HZ | 0.2° | 0.1° |
