TRM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NG | CD1 | doub | 1.31Å | 1.34Å | Aromatic |
| NG | CD2 | sing | 1.34Å | 1.40Å | Aromatic |
| CD1 | NE1 | sing | 1.37Å | 1.43Å | Aromatic |
| CD1 | C | sing | 1.48Å | 1.54Å | |
| NE1 | CE2 | sing | 1.37Å | 1.31Å | Aromatic |
| NE1 | HE11 | sing | 0.97Å | 1.02Å | |
| CE2 | CZ2 | doub | 1.39Å | 1.35Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.39Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.39Å | Aromatic |
| CZ2 | HZ21 | sing | 1.08Å | 1.10Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.39Å | Aromatic |
| CH2 | HH21 | sing | 1.08Å | 1.10Å | |
| CZ3 | CE3 | sing | 1.36Å | 1.39Å | Aromatic |
| CZ3 | HZ31 | sing | 1.08Å | 1.10Å | |
| CE3 | CD2 | doub | 1.40Å | 1.40Å | Aromatic |
| CE3 | HE31 | sing | 1.08Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.35Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | NG | CD2 | 108.5° | 109.8° |
| NG | CD1 | NE1 | 106.8° | 109.7° |
| NG | CD1 | C | 137.0° | 125.1° |
| NG | CD2 | CE2 | 107.0° | 107.3° |
| NG | CD2 | CE3 | 134.5° | 133.4° |
| NE1 | CD1 | C | 116.1° | 125.2° |
| CD1 | NE1 | CE2 | 108.8° | 107.1° |
| CD1 | NE1 | HE11 | 129.1° | 126.5° |
| CD1 | C | O | 118.8° | 120.0° |
| CD1 | C | OXT | 114.0° | 120.0° |
| CE2 | NE1 | HE11 | 122.1° | 126.5° |
| NE1 | CE2 | CZ2 | 128.1° | 134.1° |
| NE1 | CE2 | CD2 | 108.8° | 106.2° |
| CZ2 | CE2 | CD2 | 123.1° | 119.8° |
| CE2 | CZ2 | CH2 | 119.2° | 119.7° |
| CE2 | CZ2 | HZ21 | 119.0° | 120.1° |
| CE2 | CD2 | CE3 | 118.4° | 119.3° |
| CH2 | CZ2 | HZ21 | 121.8° | 120.1° |
| CZ2 | CH2 | CZ3 | 119.0° | 120.5° |
| CZ2 | CH2 | HH21 | 120.5° | 119.7° |
| CZ3 | CH2 | HH21 | 120.5° | 119.8° |
| CH2 | CZ3 | CE3 | 121.9° | 120.8° |
| CH2 | CZ3 | HZ31 | 119.2° | 119.7° |
| CE3 | CZ3 | HZ31 | 118.9° | 119.6° |
| CZ3 | CE3 | CD2 | 118.4° | 119.9° |
| CZ3 | CE3 | HE31 | 120.5° | 120.1° |
| CD2 | CE3 | HE31 | 121.1° | 120.1° |
| O | C | OXT | 127.2° | 120.0° |
| C | OXT | HXT | 113.9° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| NG | CD1 | NE1 | C | 179.8° | 179.9° |
| NG | CD1 | NE1 | CE2 | 0.3° | 0.1° |
| NG | CD1 | NE1 | HE11 | 179.7° | 179.9° |
| CD1 | NG | CD2 | CE2 | 2.4° | 0.2° |
| CD1 | NG | CD2 | CE3 | 179.2° | 179.9° |
| NG | CD1 | C | O | 1.1° | 179.8° |
| NG | CD1 | C | OXT | 177.6° | 0.2° |
| CD2 | NG | CD1 | NE1 | 1.7° | 0.2° |
| CD2 | NG | CD1 | C | 178.1° | 179.9° |
| NG | CD2 | CE2 | NE1 | 2.2° | 0.1° |
| NG | CD2 | CE2 | CZ2 | 178.6° | 179.9° |
| NG | CD2 | CE2 | CE3 | 177.3° | 179.9° |
| NG | CD2 | CE3 | CZ3 | 177.9° | 179.8° |
| NG | CD2 | CE3 | HE31 | 2.2° | 0.1° |
| CD1 | NE1 | CE2 | HE11 | 180.0° | 180.0° |
| CD1 | NE1 | CE2 | CZ2 | 179.6° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 1.2° | 0.0° |
| NE1 | CD1 | C | O | 179.2° | 0.0° |
| NE1 | CD1 | C | OXT | 2.2° | 180.0° |
| C | CD1 | NE1 | CE2 | 179.5° | 180.0° |
| C | CD1 | NE1 | HE11 | 0.5° | 0.0° |
| CD1 | C | O | OXT | 178.5° | 180.0° |
| CD1 | C | OXT | HXT | 180.0° | 179.9° |
| NE1 | CE2 | CZ2 | CD2 | 179.0° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.9° | 180.0° |
| NE1 | CE2 | CZ2 | HZ21 | 0.1° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 179.6° | 180.0° |
| HE11 | NE1 | CE2 | CZ2 | 0.4° | 0.0° |
| HE11 | NE1 | CE2 | CD2 | 178.8° | 180.0° |
| CE2 | CZ2 | CH2 | HZ21 | 180.0° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 0.7° | 0.0° |
| CE2 | CZ2 | CH2 | HH21 | 179.3° | 180.0° |
| CZ2 | CE2 | CD2 | CE3 | 1.2° | 0.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.8° | 0.0° |
| CD2 | CE2 | CZ2 | HZ21 | 179.2° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 1.4° | 0.1° |
| CE2 | CD2 | CE3 | HE31 | 178.6° | 180.0° |
| CZ2 | CH2 | CZ3 | HH21 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | CE3 | 1.0° | 0.0° |
| CZ2 | CH2 | CZ3 | HZ31 | 179.0° | 179.9° |
| HZ21 | CZ2 | CH2 | CZ3 | 179.3° | 180.0° |
| HZ21 | CZ2 | CH2 | HH21 | 0.7° | 0.0° |
| CH2 | CZ3 | CE3 | HZ31 | 180.0° | 179.9° |
| CH2 | CZ3 | CE3 | CD2 | 1.4° | 0.1° |
| CH2 | CZ3 | CE3 | HE31 | 178.6° | 180.0° |
| HH21 | CH2 | CZ3 | CE3 | 179.0° | 180.0° |
| HH21 | CH2 | CZ3 | HZ31 | 1.0° | 0.1° |
| CZ3 | CE3 | CD2 | HE31 | 180.0° | 179.9° |
| HZ31 | CZ3 | CE3 | CD2 | 178.6° | 180.0° |
| HZ31 | CZ3 | CE3 | HE31 | 1.4° | 0.1° |
| O | C | OXT | HXT | 1.5° | 0.1° |
