E03
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| NE1 | CD1 | sing | 1.37Å | 1.36Å | Aromatic |
| NE1 | CE2 | sing | 1.38Å | 1.34Å | Aromatic |
| CD1 | CG | doub | 1.34Å | 1.39Å | Aromatic |
| CZ2 | CE2 | doub | 1.39Å | 1.40Å | Aromatic |
| CZ2 | CH2 | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | CD2 | sing | 1.41Å | 1.47Å | Aromatic |
| CG | CD2 | sing | 1.47Å | 1.49Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.51Å | |
| F1 | CH2 | sing | 1.35Å | 1.35Å | |
| CH2 | CZ3 | doub | 1.39Å | 1.40Å | Aromatic |
| CD2 | CE3 | doub | 1.40Å | 1.39Å | Aromatic |
| CB | CA | sing | 1.53Å | 1.54Å | |
| CZ3 | CE3 | sing | 1.37Å | 1.40Å | Aromatic |
| N | CA | sing | 1.47Å | 1.49Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CD1 | H7 | sing | 1.08Å | 1.08Å | |
| NE1 | H8 | sing | 0.97Å | 1.00Å | |
| CE3 | H9 | sing | 1.08Å | 1.08Å | |
| CZ3 | H10 | sing | 1.08Å | 1.08Å | |
| CZ2 | H11 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CD1 | NE1 | CE2 | 111.7° | 109.9° |
| NE1 | CD1 | CG | 111.2° | 109.9° |
| NE1 | CD1 | H7 | 124.4° | 125.0° |
| CD1 | NE1 | H8 | 124.2° | 125.0° |
| NE1 | CE2 | CZ2 | 134.1° | 133.5° |
| NE1 | CE2 | CD2 | 107.2° | 107.2° |
| CE2 | NE1 | H8 | 124.2° | 125.1° |
| CD1 | CG | CD2 | 104.6° | 107.0° |
| CD1 | CG | CB | 126.0° | 126.5° |
| CG | CD1 | H7 | 124.4° | 125.1° |
| CE2 | CZ2 | CH2 | 119.8° | 119.8° |
| CZ2 | CE2 | CD2 | 118.7° | 119.3° |
| CE2 | CZ2 | H11 | 120.1° | 120.1° |
| CZ2 | CH2 | F1 | 119.7° | 119.7° |
| CZ2 | CH2 | CZ3 | 121.4° | 120.6° |
| CH2 | CZ2 | H11 | 120.1° | 120.1° |
| CE2 | CD2 | CG | 105.4° | 106.0° |
| CE2 | CD2 | CE3 | 119.9° | 120.0° |
| CD2 | CG | CB | 129.4° | 126.5° |
| CG | CD2 | CE3 | 134.7° | 134.0° |
| CG | CB | CA | 111.9° | 109.5° |
| CG | CB | H5 | 108.9° | 109.5° |
| CG | CB | H6 | 108.9° | 109.5° |
| F1 | CH2 | CZ3 | 118.9° | 119.7° |
| CH2 | CZ3 | CE3 | 120.5° | 120.5° |
| CH2 | CZ3 | H10 | 119.8° | 119.8° |
| CD2 | CE3 | CZ3 | 119.8° | 119.8° |
| CD2 | CE3 | H9 | 120.1° | 120.1° |
| CB | CA | N | 110.8° | 109.5° |
| CB | CA | C | 108.8° | 109.5° |
| CB | CA | HA | 107.1° | 109.4° |
| CA | CB | H5 | 108.8° | 109.4° |
| CA | CB | H6 | 108.8° | 109.4° |
| CZ3 | CE3 | H9 | 120.1° | 120.1° |
| CE3 | CZ3 | H10 | 119.8° | 119.7° |
| N | CA | C | 114.7° | 109.5° |
| CA | N | H | 109.5° | 111.1° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | HA | 107.7° | 109.4° |
| CA | C | O | 116.2° | 120.0° |
| CA | C | OXT | 118.0° | 120.0° |
| C | CA | HA | 107.4° | 109.5° |
| O | C | OXT | 125.9° | 119.9° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 110.9° |
| H5 | CB | H6 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CD1 | NE1 | CE2 | H8 | 180.0° | 179.9° |
| NE1 | CD1 | CG | H7 | 180.0° | 179.9° |
| CD1 | NE1 | CE2 | CZ2 | 179.2° | 180.0° |
| CD1 | NE1 | CE2 | CD2 | 0.3° | 0.0° |
| NE1 | CD1 | CG | CD2 | 0.6° | 0.0° |
| NE1 | CD1 | CG | CB | 179.3° | 179.7° |
| CE2 | NE1 | CD1 | CG | 0.6° | 0.0° |
| NE1 | CE2 | CZ2 | CD2 | 179.4° | 180.0° |
| NE1 | CE2 | CZ2 | CH2 | 179.8° | 179.9° |
| NE1 | CE2 | CD2 | CG | 0.1° | 0.0° |
| NE1 | CE2 | CD2 | CE3 | 179.1° | 179.8° |
| CE2 | NE1 | CD1 | H7 | 179.4° | 180.0° |
| NE1 | CE2 | CZ2 | H11 | 0.2° | 0.1° |
| CD1 | CG | CD2 | CE2 | 0.4° | 0.0° |
| CD1 | CG | CD2 | CB | 178.6° | 179.7° |
| CD1 | CG | CD2 | CE3 | 178.6° | 179.7° |
| CD1 | CG | CB | CA | 94.7° | 94.7° |
| CD1 | CG | CB | H5 | 144.9° | 145.3° |
| CD1 | CG | CB | H6 | 25.6° | 25.4° |
| CG | CD1 | NE1 | H8 | 179.4° | 180.0° |
| CE2 | CZ2 | CH2 | H11 | 180.0° | 180.0° |
| CZ2 | CE2 | CD2 | CG | 179.7° | 180.0° |
| CE2 | CZ2 | CH2 | F1 | 179.2° | 180.0° |
| CE2 | CZ2 | CH2 | CZ3 | 1.4° | 0.3° |
| CZ2 | CE2 | CD2 | CE3 | 0.4° | 0.3° |
| CZ2 | CE2 | NE1 | H8 | 0.8° | 0.0° |
| CH2 | CZ2 | CE2 | CD2 | 0.8° | 0.1° |
| CZ2 | CH2 | F1 | CZ3 | 177.8° | 179.7° |
| CZ2 | CH2 | CZ3 | CE3 | 0.7° | 0.3° |
| CZ2 | CH2 | CZ3 | H10 | 179.3° | 179.7° |
| CE2 | CD2 | CG | CE3 | 179.1° | 179.7° |
| CE2 | CD2 | CG | CB | 179.0° | 179.7° |
| CE2 | CD2 | CE3 | CZ3 | 1.1° | 0.3° |
| CD2 | CE2 | NE1 | H8 | 179.8° | 180.0° |
| CE2 | CD2 | CE3 | H9 | 178.9° | 179.7° |
| CD2 | CE2 | CZ2 | H11 | 179.2° | 180.0° |
| CD2 | CG | CB | CA | 83.6° | 85.0° |
| CG | CD2 | CE3 | CZ3 | 179.9° | 179.9° |
| CD2 | CG | CB | H5 | 36.8° | 35.0° |
| CD2 | CG | CB | H6 | 156.1° | 155.0° |
| CD2 | CG | CD1 | H7 | 179.4° | 179.9° |
| CG | CD2 | CE3 | H9 | 0.1° | 0.1° |
| CB | CG | CD2 | CE3 | 0.1° | 0.0° |
| CG | CB | CA | H5 | 120.4° | 120.0° |
| CG | CB | CA | H6 | 120.4° | 120.1° |
| CG | CB | CA | N | 76.6° | 65.0° |
| CG | CB | CA | C | 50.4° | 175.0° |
| CG | CB | CA | HA | 166.3° | 55.0° |
| CG | CB | H5 | H6 | 118.9° | 120.1° |
| CB | CG | CD1 | H7 | 0.7° | 0.4° |
| F1 | CH2 | CZ3 | CE3 | 178.5° | 179.9° |
| F1 | CH2 | CZ3 | H10 | 1.5° | 0.1° |
| F1 | CH2 | CZ2 | H11 | 0.8° | 0.0° |
| CH2 | CZ3 | CE3 | CD2 | 0.6° | 0.0° |
| CH2 | CZ3 | CE3 | H10 | 180.0° | 180.0° |
| CH2 | CZ3 | CE3 | H9 | 179.4° | 180.0° |
| CZ3 | CH2 | CZ2 | H11 | 178.6° | 179.7° |
| CD2 | CE3 | CZ3 | H9 | 180.0° | 180.0° |
| CD2 | CE3 | CZ3 | H10 | 179.4° | 179.9° |
| CB | CA | N | C | 123.7° | 120.1° |
| CB | CA | N | HA | 116.8° | 119.9° |
| CB | CA | C | HA | 115.6° | 120.0° |
| CB | CA | C | O | 84.1° | 100.0° |
| CB | CA | C | OXT | 95.8° | 80.0° |
| CB | CA | N | H | 180.0° | 63.8° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CA | CB | H5 | H6 | 118.9° | 119.9° |
| N | CA | C | HA | 119.7° | 120.0° |
| N | CA | C | O | 151.2° | 20.1° |
| N | CA | C | OXT | 28.9° | 160.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 163.0° | 175.0° |
| N | CA | CB | H6 | 43.8° | 55.1° |
| CA | C | O | OXT | 179.8° | 180.0° |
| C | CA | N | H | 56.3° | 176.1° |
| C | CA | N | H2 | 176.3° | 60.1° |
| C | CA | CB | H5 | 70.0° | 54.9° |
| C | CA | CB | H6 | 170.8° | 64.9° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| O | C | CA | HA | 31.5° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 148.6° | 40.0° |
| H | N | CA | HA | 63.2° | 56.1° |
| H2 | N | CA | HA | 56.8° | 179.9° |
| HA | CA | CB | H5 | 45.9° | 65.1° |
| HA | CA | CB | H6 | 73.4° | 175.1° |
| H7 | CD1 | NE1 | H8 | 0.6° | 0.1° |
| H9 | CE3 | CZ3 | H10 | 0.6° | 0.0° |
