4J2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.56Å | |
| CB | CG | sing | 1.51Å | 1.53Å | |
| CG | CD1 | doub | 1.39Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.36Å | 1.39Å | Aromatic |
| CD1 | CE1 | sing | 1.36Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.40Å | 1.40Å | Aromatic |
| CE1 | CZ1 | doub | 1.41Å | 1.39Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CZ1 | CZ2 | sing | 1.41Å | 1.39Å | Aromatic |
| CZ1 | CE2 | sing | 1.42Å | 1.44Å | Aromatic |
| CZ2 | CZ3 | doub | 1.36Å | 1.39Å | Aromatic |
| CZ3 | CE4 | sing | 1.39Å | 1.39Å | Aromatic |
| CE2 | CE3 | sing | 1.41Å | 1.40Å | Aromatic |
| CE3 | CE4 | doub | 1.36Å | 1.39Å | Aromatic |
| CE3 | HE3 | sing | 1.08Å | 1.08Å | |
| CE4 | HE4 | sing | 1.08Å | 1.08Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB1 | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CZ2 | HZ2 | sing | 1.08Å | 1.08Å | |
| CZ3 | HZ23 | sing | 1.08Å | 1.08Å | |
| C | OXT | sing | 1.34Å | 1.03Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | CB | 110.8° | 109.5° |
| N | CA | C | 111.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 108.4° | 109.5° |
| CB | CA | C | 110.7° | 109.5° |
| CA | CB | CG | 119.3° | 109.5° |
| CB | CA | HA | 107.5° | 109.5° |
| CA | CB | HB2 | 107.0° | 109.5° |
| CA | CB | HB1 | 107.0° | 109.5° |
| CA | C | O | 120.7° | 120.0° |
| C | CA | HA | 107.5° | 109.5° |
| CA | C | OXT | 119.7° | 120.0° |
| CB | CG | CD1 | 120.1° | 119.5° |
| CB | CG | CD2 | 120.0° | 119.5° |
| CG | CB | HB2 | 107.0° | 109.5° |
| CG | CB | HB1 | 106.9° | 109.4° |
| CD1 | CG | CD2 | 119.9° | 121.0° |
| CG | CD1 | CE1 | 121.3° | 121.0° |
| CG | CD1 | HD1 | 119.4° | 119.5° |
| CG | CD2 | CE2 | 120.6° | 119.7° |
| CG | CD2 | HD2 | 119.7° | 120.2° |
| CD1 | CE1 | CZ1 | 119.8° | 119.7° |
| CD1 | CE1 | HE1 | 120.1° | 120.1° |
| CE1 | CD1 | HD1 | 119.4° | 119.5° |
| CD2 | CE2 | CZ1 | 119.0° | 119.4° |
| CD2 | CE2 | CE3 | 121.8° | 121.3° |
| CE2 | CD2 | HD2 | 119.7° | 120.2° |
| CZ1 | CE1 | HE1 | 120.1° | 120.2° |
| CE1 | CZ1 | CZ2 | 120.9° | 121.3° |
| CE1 | CZ1 | CE2 | 119.5° | 119.3° |
| CZ2 | CZ1 | CE2 | 119.6° | 119.4° |
| CZ1 | CZ2 | CZ3 | 120.1° | 119.6° |
| CZ1 | CZ2 | HZ2 | 120.0° | 120.2° |
| CZ1 | CE2 | CE3 | 119.2° | 119.4° |
| CZ2 | CZ3 | CE4 | 120.4° | 121.0° |
| CZ3 | CZ2 | HZ2 | 120.0° | 120.1° |
| CZ2 | CZ3 | HZ23 | 119.8° | 119.5° |
| CZ3 | CE4 | CE3 | 120.6° | 121.0° |
| CZ3 | CE4 | HE4 | 119.7° | 119.5° |
| CE4 | CZ3 | HZ23 | 119.8° | 119.5° |
| CE2 | CE3 | CE4 | 120.0° | 119.6° |
| CE2 | CE3 | HE3 | 120.0° | 120.2° |
| CE4 | CE3 | HE3 | 120.0° | 120.2° |
| CE3 | CE4 | HE4 | 119.7° | 119.5° |
| O | C | OXT | 119.6° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| HB2 | CB | HB1 | 109.5° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | CB | C | 124.6° | 120.0° |
| N | CA | CB | HA | 118.3° | 120.0° |
| N | CA | C | HA | 118.8° | 120.0° |
| N | CA | CB | CG | 46.3° | 65.0° |
| N | CA | C | O | 121.6° | 20.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HB2 | 167.7° | 175.0° |
| N | CA | CB | HB1 | 75.1° | 55.0° |
| N | CA | C | OXT | 58.4° | 160.0° |
| CB | CA | C | HA | 117.2° | 120.0° |
| CA | CB | CG | HB2 | 121.4° | 120.0° |
| CA | CB | CG | HB1 | 121.4° | 120.0° |
| CA | CB | CG | CD1 | 114.0° | 90.0° |
| CA | CB | CG | CD2 | 64.8° | 90.3° |
| CB | CA | C | O | 114.4° | 100.0° |
| CB | CA | N | H | 180.0° | 63.9° |
| CB | CA | N | H2 | 60.0° | 60.1° |
| CA | CB | HB2 | HB1 | 115.6° | 120.0° |
| CB | CA | C | OXT | 65.6° | 80.0° |
| C | CA | CB | CG | 170.9° | 175.0° |
| CA | C | O | OXT | 180.0° | 180.0° |
| C | CA | N | H | 56.0° | 176.0° |
| C | CA | N | H2 | 176.0° | 59.9° |
| C | CA | CB | HB2 | 67.7° | 55.0° |
| C | CA | CB | HB1 | 49.5° | 65.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CG | CD1 | CD2 | 178.8° | 179.7° |
| CB | CG | CD1 | CE1 | 177.2° | 180.0° |
| CB | CG | CD2 | CE2 | 177.0° | 179.9° |
| CG | CB | CA | HA | 72.0° | 55.0° |
| CG | CB | HB2 | HB1 | 115.5° | 119.9° |
| CB | CG | CD1 | HD1 | 2.8° | 0.0° |
| CB | CG | CD2 | HD2 | 3.0° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 1.8° | 0.3° |
| CG | CD1 | CE1 | CZ1 | 0.2° | 0.0° |
| CG | CD1 | CE1 | HE1 | 179.7° | 180.0° |
| CD1 | CG | CB | HB2 | 124.6° | 30.0° |
| CD1 | CG | CB | HB1 | 7.3° | 150.0° |
| CD1 | CG | CD2 | HD2 | 178.2° | 179.7° |
| CD2 | CG | CD1 | CE1 | 1.6° | 0.3° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CG | CD2 | CE2 | CZ1 | 0.7° | 0.0° |
| CG | CD2 | CE2 | CE3 | 179.2° | 180.0° |
| CD2 | CG | CB | HB2 | 56.6° | 149.7° |
| CD2 | CG | CB | HB1 | 173.9° | 29.7° |
| CD2 | CG | CD1 | HD1 | 178.4° | 179.7° |
| CD1 | CE1 | CZ1 | HE1 | 180.0° | 180.0° |
| CD1 | CE1 | CZ1 | CZ2 | 179.1° | 180.0° |
| CD1 | CE1 | CZ1 | CE2 | 0.9° | 0.3° |
| CD2 | CE2 | CZ1 | CE1 | 0.7° | 0.3° |
| CD2 | CE2 | CZ1 | CZ2 | 179.3° | 180.0° |
| CD2 | CE2 | CZ1 | CE3 | 179.8° | 180.0° |
| CD2 | CE2 | CE3 | CE4 | 179.5° | 179.5° |
| CD2 | CE2 | CE3 | HE3 | 0.5° | 0.1° |
| CE1 | CZ1 | CZ2 | CE2 | 180.0° | 179.7° |
| CE1 | CZ1 | CZ2 | CZ3 | 179.6° | 179.9° |
| CE1 | CZ1 | CE2 | CE3 | 179.5° | 179.7° |
| CZ1 | CE1 | CD1 | HD1 | 179.8° | 180.0° |
| CE1 | CZ1 | CZ2 | HZ2 | 0.4° | 0.0° |
| HE1 | CE1 | CZ1 | CZ2 | 0.9° | 0.0° |
| HE1 | CE1 | CZ1 | CE2 | 179.1° | 179.8° |
| HE1 | CE1 | CD1 | HD1 | 0.3° | 0.0° |
| CZ1 | CZ2 | CZ3 | HZ2 | 180.0° | 180.0° |
| CZ1 | CZ2 | CZ3 | CE4 | 0.0° | 0.1° |
| CZ2 | CZ1 | CE2 | CE3 | 0.5° | 0.0° |
| CZ1 | CZ2 | CZ3 | HZ23 | 180.0° | 180.0° |
| CE2 | CZ1 | CZ2 | CZ3 | 0.3° | 0.2° |
| CZ1 | CE2 | CE3 | CE4 | 0.4° | 0.6° |
| CZ1 | CE2 | CE3 | HE3 | 179.7° | 179.9° |
| CZ1 | CE2 | CD2 | HD2 | 179.3° | 180.0° |
| CE2 | CZ1 | CZ2 | HZ2 | 179.6° | 179.8° |
| CZ2 | CZ3 | CE4 | HZ23 | 180.0° | 179.9° |
| CZ2 | CZ3 | CE4 | CE3 | 0.2° | 0.6° |
| CZ2 | CZ3 | CE4 | HE4 | 179.8° | 180.0° |
| CZ3 | CE4 | CE3 | CE2 | 0.0° | 0.9° |
| CZ3 | CE4 | CE3 | HE4 | 180.0° | 179.4° |
| CZ3 | CE4 | CE3 | HE3 | 180.0° | 179.7° |
| CE4 | CZ3 | CZ2 | HZ2 | 180.0° | 180.0° |
| CE2 | CE3 | CE4 | HE3 | 180.0° | 179.4° |
| CE2 | CE3 | CE4 | HE4 | 180.0° | 179.7° |
| CE3 | CE2 | CD2 | HD2 | 0.8° | 0.0° |
| CE3 | CE4 | CZ3 | HZ23 | 179.8° | 179.5° |
| HE3 | CE3 | CE4 | HE4 | 0.1° | 0.3° |
| HE4 | CE4 | CZ3 | HZ23 | 0.2° | 0.1° |
| O | C | CA | HA | 2.8° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H | N | CA | HA | 62.3° | 56.0° |
| H2 | N | CA | HA | 57.8° | 179.9° |
| HA | CA | CB | HB2 | 49.4° | 65.0° |
| HA | CA | CB | HB1 | 166.6° | 175.0° |
| HA | CA | C | OXT | 177.2° | 40.0° |
| HZ2 | CZ2 | CZ3 | HZ23 | 0.0° | 0.1° |
