1WE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.53Å | 1.45Å | |
| CA | N | sing | 1.47Å | 1.43Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CD1 | CE1 | doub | 1.38Å | 1.37Å | Aromatic |
| CD1 | CG | sing | 1.38Å | 1.37Å | Aromatic |
| CE1 | CZ | sing | 1.38Å | 1.36Å | Aromatic |
| CB | CG | sing | 1.51Å | 1.36Å | |
| CG | CD2 | doub | 1.38Å | 1.36Å | Aromatic |
| CZ | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.36Å | Aromatic |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C | H6 | sing | 1.09Å | 1.10Å | |
| C | H7 | sing | 1.09Å | 1.10Å | |
| CB | H8 | sing | 1.09Å | 1.10Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CD1 | H10 | sing | 1.08Å | 1.08Å | |
| CD2 | H11 | sing | 1.08Å | 1.08Å | |
| CE1 | H12 | sing | 1.08Å | 1.08Å | |
| CE2 | H13 | sing | 1.08Å | 1.08Å | |
| CZ | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | CA | N | 104.2° | 109.4° |
| C | CA | CB | 107.2° | 109.5° |
| C | CA | H4 | 110.7° | 109.5° |
| CA | C | H5 | 109.5° | 109.5° |
| CA | C | H6 | 109.5° | 109.5° |
| CA | C | H7 | 109.5° | 109.4° |
| N | CA | CB | 113.9° | 109.5° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | H4 | 111.0° | 109.4° |
| CA | CB | CG | 115.2° | 109.5° |
| CB | CA | H4 | 109.7° | 109.5° |
| CA | CB | H8 | 108.0° | 109.4° |
| CA | CB | H9 | 108.0° | 109.5° |
| CE1 | CD1 | CG | 120.2° | 120.0° |
| CD1 | CE1 | CZ | 120.1° | 120.0° |
| CE1 | CD1 | H10 | 119.9° | 120.1° |
| CD1 | CE1 | H12 | 120.0° | 120.0° |
| CD1 | CG | CB | 120.3° | 120.0° |
| CD1 | CG | CD2 | 119.9° | 120.0° |
| CG | CD1 | H10 | 119.9° | 120.0° |
| CE1 | CZ | CE2 | 119.2° | 120.0° |
| CZ | CE1 | H12 | 119.9° | 120.0° |
| CE1 | CZ | H14 | 120.4° | 120.0° |
| CB | CG | CD2 | 119.7° | 120.0° |
| CG | CB | H8 | 108.0° | 109.5° |
| CG | CB | H9 | 108.0° | 109.6° |
| CG | CD2 | CE2 | 120.1° | 120.0° |
| CG | CD2 | H11 | 119.9° | 120.0° |
| CZ | CE2 | CD2 | 120.4° | 120.0° |
| CZ | CE2 | H13 | 119.8° | 120.0° |
| CE2 | CZ | H14 | 120.4° | 120.0° |
| CE2 | CD2 | H11 | 119.9° | 120.0° |
| CD2 | CE2 | H13 | 119.8° | 120.0° |
| H1 | N | H2 | 109.4° | 111.0° |
| H5 | C | H6 | 109.5° | 109.5° |
| H5 | C | H7 | 109.5° | 109.5° |
| H6 | C | H7 | 109.5° | 109.4° |
| H8 | CB | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | CA | N | CB | 116.5° | 120.0° |
| C | CA | N | H4 | 119.2° | 119.9° |
| C | CA | CB | H4 | 120.3° | 120.0° |
| C | CA | CB | CG | 107.5° | 175.0° |
| C | CA | N | H1 | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 59.9° |
| CA | C | H5 | H6 | 120.0° | 120.0° |
| CA | C | H5 | H7 | 120.0° | 120.0° |
| CA | C | H6 | H7 | 120.0° | 119.9° |
| C | CA | CB | H8 | 13.3° | 55.0° |
| C | CA | CB | H9 | 131.7° | 64.9° |
| N | CA | CB | H4 | 125.0° | 120.0° |
| N | CA | CB | CG | 137.8° | 65.0° |
| CA | N | H1 | H2 | 120.0° | 123.9° |
| N | CA | C | H5 | 180.0° | 60.0° |
| N | CA | C | H6 | 60.0° | 60.1° |
| N | CA | C | H7 | 60.0° | 180.0° |
| N | CA | CB | H8 | 101.4° | 175.0° |
| N | CA | CB | H9 | 17.0° | 55.1° |
| CA | CB | CG | CD1 | 41.7° | 89.8° |
| CA | CB | CG | H8 | 120.8° | 119.9° |
| CA | CB | CG | H9 | 120.9° | 120.1° |
| CA | CB | CG | CD2 | 142.0° | 90.0° |
| CB | CA | N | H1 | 63.5° | 56.1° |
| CB | CA | N | H2 | 56.5° | 180.0° |
| CB | CA | C | H5 | 59.0° | 180.0° |
| CB | CA | C | H6 | 179.0° | 59.9° |
| CB | CA | C | H7 | 61.0° | 60.0° |
| CA | CB | H8 | H9 | 117.4° | 120.0° |
| CE1 | CD1 | CG | H10 | 180.0° | 180.0° |
| CD1 | CE1 | CZ | H12 | 180.0° | 179.9° |
| CE1 | CD1 | CG | CB | 177.6° | 180.0° |
| CE1 | CD1 | CG | CD2 | 1.3° | 0.2° |
| CD1 | CE1 | CZ | CE2 | 0.3° | 0.3° |
| CD1 | CE1 | CZ | H14 | 179.7° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.8° | 0.0° |
| CD1 | CG | CB | CD2 | 176.3° | 179.8° |
| CD1 | CG | CD2 | CE2 | 1.2° | 0.2° |
| CD1 | CG | CB | H8 | 162.5° | 150.3° |
| CD1 | CG | CB | H9 | 79.2° | 30.3° |
| CD1 | CG | CD2 | H11 | 178.8° | 179.7° |
| CG | CD1 | CE1 | H12 | 179.2° | 180.0° |
| CE1 | CZ | CE2 | H14 | 180.0° | 179.7° |
| CE1 | CZ | CE2 | CD2 | 0.2° | 0.3° |
| CZ | CE1 | CD1 | H10 | 179.2° | 180.0° |
| CE1 | CZ | CE2 | H13 | 179.8° | 179.7° |
| CB | CG | CD2 | CE2 | 177.5° | 180.0° |
| CG | CB | CA | H4 | 12.8° | 54.9° |
| CG | CB | H8 | H9 | 117.4° | 120.1° |
| CB | CG | CD1 | H10 | 2.4° | 0.0° |
| CB | CG | CD2 | H11 | 2.5° | 0.1° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.1° |
| CG | CD2 | CE2 | H11 | 180.0° | 179.9° |
| CD2 | CG | CB | H8 | 21.2° | 29.9° |
| CD2 | CG | CB | H9 | 97.1° | 149.9° |
| CD2 | CG | CD1 | H10 | 178.7° | 179.8° |
| CG | CD2 | CE2 | H13 | 179.3° | 180.0° |
| CZ | CE2 | CD2 | H13 | 180.0° | 180.0° |
| CZ | CE2 | CD2 | H11 | 179.3° | 180.0° |
| CE2 | CZ | CE1 | H12 | 179.7° | 179.8° |
| CD2 | CE2 | CZ | H14 | 179.8° | 180.0° |
| H1 | N | CA | H4 | 60.9° | 176.1° |
| H2 | N | CA | H4 | 179.2° | 60.0° |
| H4 | CA | C | H5 | 60.6° | 59.9° |
| H4 | CA | C | H6 | 59.4° | 180.0° |
| H4 | CA | C | H7 | 179.4° | 60.1° |
| H4 | CA | CB | H8 | 133.6° | 65.0° |
| H4 | CA | CB | H9 | 108.1° | 175.0° |
| H5 | C | H6 | H7 | 120.0° | 120.0° |
| H10 | CD1 | CE1 | H12 | 0.9° | 0.0° |
| H11 | CD2 | CE2 | H13 | 0.7° | 0.0° |
| H12 | CE1 | CZ | H14 | 0.3° | 0.0° |
| H13 | CE2 | CZ | H14 | 0.2° | 0.0° |
