TRY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD2 | CE3 | sing | 1.39Å | 1.42Å | Aromatic |
| CD2 | CE2 | doub | 1.40Å | 1.39Å | Aromatic |
| CD2 | CG | sing | 1.47Å | 1.47Å | Aromatic |
| CE3 | CZ3 | doub | 1.38Å | 1.39Å | Aromatic |
| CZ3 | CH2 | sing | 1.39Å | 1.42Å | Aromatic |
| CH2 | CZ2 | doub | 1.38Å | 1.41Å | Aromatic |
| CZ2 | CE2 | sing | 1.39Å | 1.40Å | Aromatic |
| CE2 | NE1 | sing | 1.38Å | 1.36Å | Aromatic |
| NE1 | CD1 | sing | 1.36Å | 1.37Å | Aromatic |
| CD1 | CG | doub | 1.36Å | 1.35Å | Aromatic |
| CG | CB | sing | 1.47Å | 1.51Å | |
| CB | CA2 | doub | 1.36Å | 1.40Å | |
| CA2 | N2 | sing | 1.40Å | 1.37Å | |
| CA2 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | O2 | doub | 1.22Å | 1.24Å | |
| C2 | OXT | sing | 1.35Å | 1.32Å | |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ3 | sing | 1.08Å | 1.08Å | |
| CH2 | HH2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| NE1 | HE1 | sing | 0.97Å | 1.00Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CB | HB2 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CE3 | CD2 | CE2 | 120.1° | 120.0° |
| CE3 | CD2 | CG | 133.7° | 134.0° |
| CD2 | CE3 | CZ3 | 121.1° | 119.7° |
| CD2 | CE3 | HE3 | 119.4° | 120.1° |
| CE2 | CD2 | CG | 106.2° | 106.0° |
| CD2 | CE2 | CZ2 | 121.0° | 119.4° |
| CD2 | CE2 | NE1 | 108.4° | 107.5° |
| CD2 | CG | CD1 | 105.9° | 106.5° |
| CD2 | CG | CB | 124.4° | 126.7° |
| CE3 | CZ3 | CH2 | 117.0° | 120.3° |
| CZ3 | CE3 | HE3 | 119.4° | 120.2° |
| CE3 | CZ3 | HZ3 | 121.5° | 119.9° |
| CZ3 | CH2 | CZ2 | 123.1° | 120.7° |
| CH2 | CZ3 | HZ3 | 121.5° | 119.8° |
| CZ3 | CH2 | HH2 | 118.5° | 119.6° |
| CH2 | CZ2 | CE2 | 117.8° | 119.9° |
| CZ2 | CH2 | HH2 | 118.4° | 119.7° |
| CH2 | CZ2 | HZ2 | 121.1° | 120.1° |
| CZ2 | CE2 | NE1 | 130.7° | 133.1° |
| CE2 | CZ2 | HZ2 | 121.1° | 120.0° |
| CE2 | NE1 | CD1 | 109.3° | 110.3° |
| CE2 | NE1 | HE1 | 125.4° | 124.9° |
| NE1 | CD1 | CG | 110.2° | 109.7° |
| CD1 | NE1 | HE1 | 125.4° | 124.8° |
| NE1 | CD1 | HD1 | 124.9° | 125.1° |
| CD1 | CG | CB | 129.7° | 126.8° |
| CG | CD1 | HD1 | 124.9° | 125.2° |
| CG | CB | CA2 | 119.0° | 120.0° |
| CG | CB | HB2 | 120.5° | 120.1° |
| CB | CA2 | N2 | 125.3° | 120.0° |
| CB | CA2 | C2 | 124.4° | 120.0° |
| CA2 | CB | HB2 | 120.5° | 120.0° |
| N2 | CA2 | C2 | 110.3° | 120.0° |
| CA2 | N2 | H21N | 109.5° | 120.0° |
| CA2 | N2 | H22N | 109.5° | 120.0° |
| CA2 | C2 | O2 | 129.5° | 120.0° |
| CA2 | C2 | OXT | 103.5° | 120.0° |
| O2 | C2 | OXT | 127.0° | 120.1° |
| C2 | OXT | HXT | 109.5° | 113.9° |
| H21N | N2 | H22N | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE3 | CD2 | CE2 | CG | 180.0° | 179.8° |
| CD2 | CE3 | CZ3 | HE3 | 180.0° | 179.9° |
| CD2 | CE3 | CZ3 | CH2 | 0.0° | 0.0° |
| CE3 | CD2 | CE2 | CZ2 | 0.0° | 0.0° |
| CE3 | CD2 | CE2 | NE1 | 180.0° | 180.0° |
| CE3 | CD2 | CG | CD1 | 180.0° | 179.9° |
| CE3 | CD2 | CG | CB | 0.0° | 0.0° |
| CD2 | CE3 | CZ3 | HZ3 | 180.0° | 180.0° |
| CE2 | CD2 | CE3 | CZ3 | 0.0° | 0.0° |
| CD2 | CE2 | CZ2 | CH2 | 0.0° | 0.1° |
| CD2 | CE2 | CZ2 | NE1 | 180.0° | 179.9° |
| CD2 | CE2 | NE1 | CD1 | 0.0° | 0.0° |
| CE2 | CD2 | CG | CD1 | 0.0° | 0.4° |
| CE2 | CD2 | CG | CB | 180.0° | 179.8° |
| CE2 | CD2 | CE3 | HE3 | 180.0° | 179.9° |
| CD2 | CE2 | CZ2 | HZ2 | 180.0° | 180.0° |
| CD2 | CE2 | NE1 | HE1 | 180.0° | 180.0° |
| CG | CD2 | CE3 | CZ3 | 180.0° | 179.7° |
| CG | CD2 | CE2 | CZ2 | 180.0° | 179.7° |
| CG | CD2 | CE2 | NE1 | 0.0° | 0.2° |
| CD2 | CG | CD1 | NE1 | 0.0° | 0.4° |
| CD2 | CG | CD1 | CB | 180.0° | 179.9° |
| CD2 | CG | CB | CA2 | 175.2° | 161.8° |
| CG | CD2 | CE3 | HE3 | 0.0° | 0.4° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.8° |
| CD2 | CG | CB | HB2 | 4.7° | 18.2° |
| CE3 | CZ3 | CH2 | HZ3 | 180.0° | 180.0° |
| CE3 | CZ3 | CH2 | CZ2 | 0.0° | 0.0° |
| CE3 | CZ3 | CH2 | HH2 | 180.0° | 180.0° |
| CZ3 | CH2 | CZ2 | HH2 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | CE2 | 0.0° | 0.1° |
| CH2 | CZ3 | CE3 | HE3 | 180.0° | 179.9° |
| CZ3 | CH2 | CZ2 | HZ2 | 180.0° | 180.0° |
| CH2 | CZ2 | CE2 | HZ2 | 180.0° | 179.9° |
| CH2 | CZ2 | CE2 | NE1 | 180.0° | 180.0° |
| CZ2 | CH2 | CZ3 | HZ3 | 180.0° | 179.9° |
| CZ2 | CE2 | NE1 | CD1 | 180.0° | 179.9° |
| CE2 | CZ2 | CH2 | HH2 | 179.9° | 180.0° |
| CZ2 | CE2 | NE1 | HE1 | 0.0° | 0.0° |
| CE2 | NE1 | CD1 | HE1 | 180.0° | 180.0° |
| CE2 | NE1 | CD1 | CG | 0.0° | 0.2° |
| NE1 | CE2 | CZ2 | HZ2 | 0.0° | 0.1° |
| CE2 | NE1 | CD1 | HD1 | 180.0° | 180.0° |
| NE1 | CD1 | CG | HD1 | 180.0° | 179.8° |
| NE1 | CD1 | CG | CB | 180.0° | 179.8° |
| CD1 | CG | CB | CA2 | 4.8° | 18.0° |
| CG | CD1 | NE1 | HE1 | 180.0° | 179.7° |
| CD1 | CG | CB | HB2 | 175.2° | 162.0° |
| CG | CB | CA2 | HB2 | 180.0° | 180.0° |
| CG | CB | CA2 | N2 | 5.0° | 7.7° |
| CG | CB | CA2 | C2 | 174.9° | 172.3° |
| CB | CG | CD1 | HD1 | 0.0° | 0.0° |
| CB | CA2 | N2 | C2 | 179.9° | 180.0° |
| CB | CA2 | C2 | O2 | 0.1° | 0.0° |
| CB | CA2 | C2 | OXT | 180.0° | 180.0° |
| CB | CA2 | N2 | H21N | 180.0° | 17.2° |
| CB | CA2 | N2 | H22N | 60.0° | 162.8° |
| N2 | CA2 | C2 | O2 | 180.0° | 180.0° |
| N2 | CA2 | C2 | OXT | 0.1° | 0.0° |
| N2 | CA2 | CB | HB2 | 175.0° | 172.3° |
| CA2 | N2 | H21N | H22N | 120.0° | 180.0° |
| CA2 | C2 | O2 | OXT | 179.9° | 180.0° |
| C2 | CA2 | CB | HB2 | 5.1° | 7.7° |
| C2 | CA2 | N2 | H21N | 0.1° | 162.8° |
| C2 | CA2 | N2 | H22N | 120.0° | 17.3° |
| CA2 | C2 | OXT | HXT | 179.9° | 180.0° |
| O2 | C2 | OXT | HXT | 0.0° | 0.0° |
| HE3 | CE3 | CZ3 | HZ3 | 0.0° | 0.1° |
| HZ3 | CZ3 | CH2 | HH2 | 0.0° | 0.0° |
| HH2 | CH2 | CZ2 | HZ2 | 0.0° | 0.1° |
| HE1 | NE1 | CD1 | HD1 | 0.0° | 0.1° |
