4LW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.22Å | 1.32Å | |
| C | O | sing | 1.35Å | 1.21Å | |
| C | CA | sing | 1.46Å | 1.46Å | |
| F1 | CA | sing | 1.35Å | 1.36Å | |
| CA | CB | doub | 1.35Å | 1.37Å | |
| CB | CG | sing | 1.47Å | 1.46Å | |
| CD2 | CG | doub | 1.40Å | 1.34Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.45Å | Aromatic |
| CG | CD1 | sing | 1.40Å | 1.41Å | Aromatic |
| CE2 | CZ | doub | 1.38Å | 1.42Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.32Å | Aromatic |
| CZ | CE1 | sing | 1.38Å | 1.36Å | Aromatic |
| O | H1 | sing | 0.97Å | 0.95Å | |
| CB | H2 | sing | 1.08Å | 1.08Å | |
| CD1 | H3 | sing | 1.08Å | 1.08Å | |
| CE1 | H4 | sing | 1.08Å | 1.08Å | |
| CZ | H5 | sing | 1.08Å | 1.08Å | |
| CE2 | H6 | sing | 1.08Å | 1.08Å | |
| CD2 | H7 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 122.2° | 120.0° |
| OXT | C | CA | 115.9° | 120.0° |
| O | C | CA | 121.9° | 120.0° |
| C | O | H1 | 109.5° | 117.0° |
| C | CA | F1 | 112.8° | 120.0° |
| C | CA | CB | 124.3° | 120.0° |
| F1 | CA | CB | 123.0° | 120.0° |
| CA | CB | CG | 125.9° | 120.0° |
| CA | CB | H2 | 117.0° | 120.0° |
| CB | CG | CD2 | 124.0° | 120.2° |
| CB | CG | CD1 | 114.7° | 120.2° |
| CG | CB | H2 | 117.1° | 120.0° |
| CG | CD2 | CE2 | 123.4° | 119.8° |
| CD2 | CG | CD1 | 121.1° | 119.7° |
| CG | CD2 | H7 | 118.3° | 120.1° |
| CD2 | CE2 | CZ | 112.6° | 120.2° |
| CD2 | CE2 | H6 | 123.8° | 119.9° |
| CE2 | CD2 | H7 | 118.3° | 120.1° |
| CG | CD1 | CE1 | 116.0° | 119.8° |
| CG | CD1 | H3 | 122.0° | 120.1° |
| CE2 | CZ | CE1 | 121.1° | 120.3° |
| CE2 | CZ | H5 | 119.5° | 119.8° |
| CZ | CE2 | H6 | 123.7° | 120.0° |
| CD1 | CE1 | CZ | 125.7° | 120.2° |
| CE1 | CD1 | H3 | 122.0° | 120.1° |
| CD1 | CE1 | H4 | 117.2° | 119.9° |
| CZ | CE1 | H4 | 117.2° | 119.9° |
| CE1 | CZ | H5 | 119.4° | 119.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 178.0° | 180.0° |
| OXT | C | CA | F1 | 19.1° | 180.0° |
| OXT | C | CA | CB | 161.4° | 0.2° |
| OXT | C | O | H1 | 0.0° | 0.0° |
| O | C | CA | F1 | 158.9° | 0.0° |
| O | C | CA | CB | 20.5° | 179.7° |
| C | CA | F1 | CB | 179.4° | 179.8° |
| C | CA | CB | CG | 178.1° | 173.8° |
| CA | C | O | H1 | 178.0° | 180.0° |
| C | CA | CB | H2 | 1.9° | 6.3° |
| F1 | CA | CB | CG | 1.3° | 6.5° |
| F1 | CA | CB | H2 | 178.7° | 173.5° |
| CA | CB | CG | H2 | 180.0° | 180.0° |
| CA | CB | CG | CD2 | 16.2° | 170.2° |
| CA | CB | CG | CD1 | 167.4° | 10.0° |
| CB | CG | CD2 | CD1 | 176.2° | 179.8° |
| CB | CG | CD2 | CE2 | 179.4° | 179.7° |
| CB | CG | CD1 | CE1 | 176.8° | 180.0° |
| CB | CG | CD1 | H3 | 3.2° | 0.0° |
| CB | CG | CD2 | H7 | 0.6° | 0.0° |
| CG | CD2 | CE2 | H7 | 180.0° | 179.8° |
| CG | CD2 | CE2 | CZ | 4.8° | 0.5° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.2° |
| CD2 | CG | CB | H2 | 163.8° | 9.8° |
| CD2 | CG | CD1 | H3 | 179.7° | 179.7° |
| CG | CD2 | CE2 | H6 | 175.2° | 179.7° |
| CE2 | CD2 | CG | CD1 | 3.2° | 0.5° |
| CD2 | CE2 | CZ | H6 | 180.0° | 179.8° |
| CD2 | CE2 | CZ | CE1 | 3.8° | 0.3° |
| CD2 | CE2 | CZ | H5 | 176.2° | 179.7° |
| CG | CD1 | CE1 | H3 | 180.0° | 179.9° |
| CG | CD1 | CE1 | CZ | 0.6° | 0.1° |
| CD1 | CG | CB | H2 | 12.6° | 170.0° |
| CG | CD1 | CE1 | H4 | 179.4° | 179.9° |
| CD1 | CG | CD2 | H7 | 176.8° | 179.7° |
| CE2 | CZ | CE1 | CD1 | 1.4° | 0.0° |
| CE2 | CZ | CE1 | H5 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | H4 | 178.6° | 179.9° |
| CZ | CE2 | CD2 | H7 | 175.2° | 179.7° |
| CD1 | CE1 | CZ | H4 | 180.0° | 179.9° |
| CD1 | CE1 | CZ | H5 | 178.6° | 180.0° |
| CZ | CE1 | CD1 | H3 | 179.4° | 180.0° |
| CE1 | CZ | CE2 | H6 | 176.2° | 180.0° |
| H3 | CD1 | CE1 | H4 | 0.6° | 0.1° |
| H4 | CE1 | CZ | H5 | 1.4° | 0.1° |
| H5 | CZ | CE2 | H6 | 3.8° | 0.1° |
| H6 | CE2 | CD2 | H7 | 4.8° | 0.1° |
