WPA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CZ | CE1 | doub | 1.38Å | 1.36Å | Aromatic |
| CZ | CE2 | sing | 1.38Å | 1.37Å | Aromatic |
| N | CA | sing | 1.47Å | 1.45Å | |
| CE1 | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| CE2 | CD2 | doub | 1.38Å | 1.43Å | Aromatic |
| CD1 | CG | doub | 1.38Å | 1.41Å | Aromatic |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CD2 | CG | sing | 1.38Å | 1.36Å | Aromatic |
| CG | CB | sing | 1.51Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CB | OB | sing | 1.43Å | 1.42Å | |
| OB | CB1 | sing | 1.43Å | 1.43Å | |
| 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 | |
| CB1 | H6 | sing | 1.09Å | 1.10Å | |
| CB1 | H7 | sing | 1.09Å | 1.10Å | |
| CB1 | H8 | sing | 1.09Å | 1.10Å | |
| CD1 | H9 | sing | 1.08Å | 1.08Å | |
| CE1 | H10 | sing | 1.08Å | 1.08Å | |
| CZ | H11 | sing | 1.08Å | 1.08Å | |
| CE2 | H12 | sing | 1.08Å | 1.08Å | |
| CD2 | H13 | 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) |
| CE1 | CZ | CE2 | 121.8° | 120.0° |
| CZ | CE1 | CD1 | 118.8° | 120.0° |
| CZ | CE1 | H10 | 120.6° | 120.0° |
| CE1 | CZ | H11 | 119.1° | 120.0° |
| CZ | CE2 | CD2 | 119.3° | 120.0° |
| CE2 | CZ | H11 | 119.1° | 120.1° |
| CZ | CE2 | H12 | 120.4° | 120.0° |
| N | CA | C | 107.4° | 109.5° |
| N | CA | CB | 112.7° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 109.7° | 109.5° |
| CE1 | CD1 | CG | 121.2° | 120.0° |
| CE1 | CD1 | H9 | 119.4° | 120.0° |
| CD1 | CE1 | H10 | 120.6° | 120.0° |
| CE2 | CD2 | CG | 120.1° | 120.0° |
| CD2 | CE2 | H12 | 120.4° | 120.0° |
| CE2 | CD2 | H13 | 119.9° | 120.0° |
| CD1 | CG | CD2 | 118.6° | 120.0° |
| CD1 | CG | CB | 119.8° | 120.0° |
| CG | CD1 | H9 | 119.4° | 120.0° |
| C | CA | CB | 109.7° | 109.5° |
| CA | C | O | 121.8° | 120.0° |
| CA | C | OXT | 115.4° | 120.0° |
| C | CA | HA | 108.7° | 109.4° |
| CA | CB | CG | 112.4° | 109.5° |
| CA | CB | OB | 105.4° | 109.5° |
| CB | CA | HA | 108.5° | 109.5° |
| CA | CB | H5 | 107.2° | 109.5° |
| CD2 | CG | CB | 121.5° | 120.0° |
| CG | CD2 | H13 | 119.9° | 120.0° |
| CG | CB | OB | 115.3° | 109.5° |
| CG | CB | H5 | 107.7° | 109.5° |
| O | C | OXT | 122.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CB | OB | CB1 | 112.4° | 114.0° |
| OB | CB | H5 | 108.5° | 109.5° |
| OB | CB1 | H6 | 109.5° | 109.5° |
| OB | CB1 | H7 | 109.5° | 109.5° |
| OB | CB1 | H8 | 109.4° | 109.4° |
| H | N | H2 | 109.4° | 111.0° |
| H6 | CB1 | H7 | 109.4° | 109.4° |
| H6 | CB1 | H8 | 109.5° | 109.5° |
| H7 | CB1 | H8 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CE1 | CZ | CE2 | H11 | 180.0° | 179.9° |
| CZ | CE1 | CD1 | H10 | 180.0° | 180.0° |
| CE1 | CZ | CE2 | CD2 | 0.6° | 0.3° |
| CZ | CE1 | CD1 | CG | 2.0° | 0.0° |
| CZ | CE1 | CD1 | H9 | 177.9° | 180.0° |
| CE1 | CZ | CE2 | H12 | 179.3° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 2.0° | 0.0° |
| CZ | CE2 | CD2 | H12 | 180.0° | 179.7° |
| CZ | CE2 | CD2 | CG | 3.4° | 0.6° |
| CE2 | CZ | CE1 | H10 | 178.0° | 180.0° |
| CZ | CE2 | CD2 | H13 | 176.6° | 180.0° |
| N | CA | C | CB | 122.8° | 120.0° |
| N | CA | C | HA | 118.7° | 120.0° |
| N | CA | CB | HA | 121.8° | 120.0° |
| N | CA | CB | CG | 57.4° | 55.0° |
| N | CA | C | O | 10.8° | 20.0° |
| N | CA | C | OXT | 175.2° | 160.0° |
| N | CA | CB | OB | 69.0° | 65.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | H5 | 175.5° | 175.0° |
| CE1 | CD1 | CG | H9 | 180.0° | 180.0° |
| CE1 | CD1 | CG | CD2 | 0.7° | 0.3° |
| CE1 | CD1 | CG | CB | 177.2° | 180.0° |
| CD1 | CE1 | CZ | H11 | 178.0° | 179.9° |
| CE2 | CD2 | CG | CD1 | 3.4° | 0.6° |
| CE2 | CD2 | CG | H13 | 180.0° | 179.4° |
| CE2 | CD2 | CG | CB | 179.9° | 179.6° |
| CD2 | CE2 | CZ | H11 | 179.3° | 179.8° |
| CD1 | CG | CB | CA | 85.3° | 95.0° |
| CD1 | CG | CD2 | CB | 176.5° | 179.7° |
| CD1 | CG | CB | OB | 153.8° | 145.0° |
| CD1 | CG | CB | H5 | 32.5° | 24.9° |
| CG | CD1 | CE1 | H10 | 177.9° | 180.0° |
| CD1 | CG | CD2 | H13 | 176.6° | 180.0° |
| C | CA | CB | HA | 118.6° | 119.9° |
| C | CA | CB | CG | 177.1° | 175.0° |
| CA | C | O | OXT | 173.6° | 180.0° |
| C | CA | CB | OB | 50.7° | 55.0° |
| C | CA | N | H | 180.0° | 60.1° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | H5 | 64.8° | 65.0° |
| CA | C | OXT | HXT | 174.0° | 180.0° |
| CA | CB | CG | CD2 | 98.3° | 84.7° |
| CA | CB | CG | OB | 120.9° | 120.0° |
| CA | CB | CG | H5 | 117.8° | 120.0° |
| CB | CA | C | O | 112.1° | 100.0° |
| CB | CA | C | OXT | 62.0° | 80.0° |
| CA | CB | OB | H5 | 114.6° | 120.0° |
| CA | CB | OB | CB1 | 155.5° | 150.0° |
| CB | CA | N | H | 59.1° | 60.0° |
| CB | CA | N | H2 | 179.1° | 63.9° |
| CD2 | CG | CB | OB | 22.6° | 35.3° |
| CD2 | CG | CB | H5 | 143.9° | 155.3° |
| CD2 | CG | CD1 | H9 | 179.3° | 179.7° |
| CG | CD2 | CE2 | H12 | 176.5° | 179.7° |
| CG | CB | OB | H5 | 120.9° | 120.0° |
| CG | CB | OB | CB1 | 79.9° | 90.0° |
| CG | CB | CA | HA | 64.4° | 65.0° |
| CB | CG | CD1 | H9 | 2.8° | 0.0° |
| CB | CG | CD2 | H13 | 0.2° | 0.3° |
| O | C | CA | HA | 129.4° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | HA | 56.5° | 40.0° |
| OB | CB | CA | HA | 169.3° | 175.0° |
| CB | OB | CB1 | H6 | 180.0° | 180.0° |
| CB | OB | CB1 | H7 | 60.0° | 60.0° |
| CB | OB | CB1 | H8 | 60.0° | 60.0° |
| CB1 | OB | CB | H5 | 40.9° | 30.0° |
| OB | CB1 | H6 | H7 | 120.0° | 120.1° |
| OB | CB1 | H6 | H8 | 120.0° | 120.0° |
| OB | CB1 | H7 | H8 | 120.0° | 120.0° |
| H | N | CA | HA | 62.0° | 180.0° |
| H2 | N | CA | HA | 58.0° | 56.1° |
| HA | CA | CB | H5 | 53.7° | 55.0° |
| H6 | CB1 | H7 | H8 | 120.0° | 120.0° |
| H9 | CD1 | CE1 | H10 | 2.1° | 0.0° |
| H10 | CE1 | CZ | H11 | 2.0° | 0.1° |
| H11 | CZ | CE2 | H12 | 0.7° | 0.1° |
| H12 | CE2 | CD2 | H13 | 3.4° | 0.3° |
