4LV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| OXT | C | doub | 1.22Å | 1.20Å | |
| O | C | sing | 1.35Å | 1.27Å | |
| C | CA | sing | 1.46Å | 1.53Å | |
| C1 | CA | sing | 1.51Å | 1.42Å | |
| CA | CB | doub | 1.35Å | 1.35Å | |
| CB | CG | sing | 1.47Å | 1.48Å | |
| CD2 | CE2 | doub | 1.38Å | 1.43Å | Aromatic |
| CD2 | CG | sing | 1.40Å | 1.36Å | Aromatic |
| CE2 | CZ | sing | 1.38Å | 1.47Å | Aromatic |
| CG | CD1 | doub | 1.40Å | 1.40Å | Aromatic |
| CZ | CE1 | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| O | H4 | sing | 0.97Å | 0.95Å | |
| CB | H5 | sing | 1.08Å | 1.08Å | |
| CD2 | H6 | sing | 1.08Å | 1.08Å | |
| CE2 | H7 | sing | 1.08Å | 1.08Å | |
| CZ | H8 | sing | 1.08Å | 1.08Å | |
| CE1 | H9 | sing | 1.08Å | 1.08Å | |
| CD1 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OXT | C | O | 118.5° | 120.0° |
| OXT | C | CA | 124.6° | 120.0° |
| O | C | CA | 116.9° | 120.0° |
| C | O | H4 | 109.5° | 114.1° |
| C | CA | C1 | 117.2° | 120.0° |
| C | CA | CB | 115.0° | 119.9° |
| C1 | CA | CB | 127.9° | 120.0° |
| CA | C1 | H1 | 109.5° | 109.5° |
| CA | C1 | H2 | 109.5° | 109.5° |
| CA | C1 | H3 | 109.5° | 109.5° |
| CA | CB | CG | 128.1° | 120.0° |
| CA | CB | H5 | 116.0° | 120.0° |
| CB | CG | CD2 | 117.8° | 120.1° |
| CB | CG | CD1 | 122.3° | 120.2° |
| CG | CB | H5 | 115.9° | 120.0° |
| CE2 | CD2 | CG | 124.4° | 119.8° |
| CD2 | CE2 | CZ | 114.2° | 120.2° |
| CE2 | CD2 | H6 | 117.8° | 120.1° |
| CD2 | CE2 | H7 | 122.9° | 119.9° |
| CD2 | CG | CD1 | 119.6° | 119.7° |
| CG | CD2 | H6 | 117.8° | 120.1° |
| CE2 | CZ | CE1 | 120.2° | 120.4° |
| CZ | CE2 | H7 | 122.8° | 120.0° |
| CE2 | CZ | H8 | 119.9° | 119.8° |
| CG | CD1 | CE1 | 120.1° | 119.8° |
| CG | CD1 | H10 | 120.0° | 120.1° |
| CZ | CE1 | CD1 | 121.4° | 120.2° |
| CE1 | CZ | H8 | 119.9° | 119.9° |
| CZ | CE1 | H9 | 119.3° | 119.9° |
| CD1 | CE1 | H9 | 119.3° | 119.9° |
| CE1 | CD1 | H10 | 120.0° | 120.1° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.4° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | O | CA | 179.7° | 180.0° |
| OXT | C | CA | C1 | 22.5° | 180.0° |
| OXT | C | CA | CB | 156.9° | 0.1° |
| OXT | C | O | H4 | 0.0° | 0.0° |
| O | C | CA | C1 | 157.2° | 0.1° |
| O | C | CA | CB | 23.4° | 180.0° |
| C | CA | C1 | CB | 179.3° | 179.9° |
| C | CA | CB | CG | 172.0° | 172.5° |
| C | CA | C1 | H1 | 180.0° | 86.4° |
| C | CA | C1 | H2 | 60.0° | 153.6° |
| C | CA | C1 | H3 | 60.0° | 33.6° |
| CA | C | O | H4 | 179.7° | 180.0° |
| C | CA | CB | H5 | 8.0° | 7.5° |
| C1 | CA | CB | CG | 8.6° | 7.6° |
| CA | C1 | H1 | H2 | 120.0° | 120.0° |
| CA | C1 | H1 | H3 | 120.0° | 120.0° |
| CA | C1 | H2 | H3 | 120.0° | 120.0° |
| C1 | CA | CB | H5 | 171.4° | 172.4° |
| CA | CB | CG | H5 | 180.0° | 180.0° |
| CA | CB | CG | CD2 | 31.3° | 33.1° |
| CA | CB | CG | CD1 | 154.6° | 147.2° |
| CB | CA | C1 | H1 | 0.7° | 93.7° |
| CB | CA | C1 | H2 | 119.3° | 26.3° |
| CB | CA | C1 | H3 | 120.7° | 146.4° |
| CB | CG | CD2 | CE2 | 176.7° | 180.0° |
| CB | CG | CD2 | CD1 | 174.3° | 179.7° |
| CB | CG | CD1 | CE1 | 173.6° | 179.8° |
| CB | CG | CD2 | H6 | 3.3° | 0.1° |
| CB | CG | CD1 | H10 | 6.5° | 0.0° |
| CE2 | CD2 | CG | H6 | 180.0° | 180.0° |
| CD2 | CE2 | CZ | H7 | 180.0° | 179.9° |
| CE2 | CD2 | CG | CD1 | 2.4° | 0.3° |
| CD2 | CE2 | CZ | CE1 | 3.0° | 0.0° |
| CD2 | CE2 | CZ | H8 | 177.0° | 180.0° |
| CG | CD2 | CE2 | CZ | 4.1° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.5° | 0.5° |
| CD2 | CG | CB | H5 | 148.7° | 146.9° |
| CG | CD2 | CE2 | H7 | 175.9° | 179.9° |
| CD2 | CG | CD1 | H10 | 179.5° | 179.7° |
| CE2 | CZ | CE1 | H8 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.5° | 0.3° |
| CZ | CE2 | CD2 | H6 | 175.9° | 180.0° |
| CE2 | CZ | CE1 | H9 | 179.5° | 180.0° |
| CG | CD1 | CE1 | CZ | 1.4° | 0.5° |
| CG | CD1 | CE1 | H10 | 180.0° | 179.7° |
| CD1 | CG | CB | H5 | 25.4° | 32.8° |
| CD1 | CG | CD2 | H6 | 177.6° | 179.8° |
| CG | CD1 | CE1 | H9 | 178.7° | 179.7° |
| CZ | CE1 | CD1 | H9 | 180.0° | 179.7° |
| CE1 | CZ | CE2 | H7 | 177.0° | 180.0° |
| CZ | CE1 | CD1 | H10 | 178.6° | 179.7° |
| CD1 | CE1 | CZ | H8 | 179.5° | 179.7° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H6 | CD2 | CE2 | H7 | 4.1° | 0.1° |
| H7 | CE2 | CZ | H8 | 3.0° | 0.0° |
| H8 | CZ | CE1 | H9 | 0.5° | 0.0° |
| H9 | CE1 | CD1 | H10 | 1.4° | 0.0° |
