TYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | sing | 1.43Å | 1.23Å | |
| C | CA | sing | 1.53Å | 1.52Å | |
| C | OXT | sing | 1.43Å | 1.57Å | |
| N | CA | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CB | CG | sing | 1.51Å | 1.51Å | |
| CG | CD1 | doub | 1.38Å | 1.39Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| OH | CZ | sing | 1.36Å | 1.38Å | |
| CZ | CE1 | doub | 1.39Å | 1.38Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.38Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.38Å | Aromatic |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| OH | HOH | sing | 0.97Å | 0.95Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C | H1 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 120.8° | 109.4° |
| O | C | OXT | 87.0° | 109.5° |
| C | O | HO | 109.5° | 113.9° |
| O | C | H1 | 121.1° | 109.4° |
| CA | C | OXT | 119.6° | 109.5° |
| C | CA | N | 111.2° | 109.5° |
| C | CA | CB | 110.1° | 109.4° |
| C | CA | HA | 108.2° | 109.4° |
| CA | C | H1 | 89.7° | 109.5° |
| C | OXT | HXT | 109.5° | 114.0° |
| OXT | C | H1 | 122.3° | 109.5° |
| N | CA | CB | 110.5° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 107.8° | 109.5° |
| CA | CB | CG | 113.9° | 109.5° |
| CB | CA | HA | 108.9° | 109.5° |
| CA | CB | HB | 108.0° | 109.5° |
| CA | CB | HBA | 108.0° | 109.4° |
| CB | CG | CD1 | 120.9° | 119.9° |
| CB | CG | CD2 | 121.0° | 119.9° |
| CG | CB | HB | 108.0° | 109.5° |
| CG | CB | HBA | 108.0° | 109.5° |
| CD1 | CG | CD2 | 118.1° | 120.1° |
| CG | CD1 | CE1 | 121.1° | 120.0° |
| CG | CD1 | HD1 | 119.4° | 120.0° |
| CG | CD2 | CE2 | 121.2° | 120.0° |
| CG | CD2 | HD2 | 119.4° | 120.0° |
| OH | CZ | CE1 | 119.9° | 120.0° |
| OH | CZ | CE2 | 119.8° | 120.1° |
| CZ | OH | HOH | 109.5° | 114.0° |
| CE1 | CZ | CE2 | 120.3° | 119.9° |
| CZ | CE1 | CD1 | 119.7° | 120.0° |
| CZ | CE1 | HE1 | 120.2° | 120.0° |
| CZ | CE2 | CD2 | 119.6° | 120.0° |
| CZ | CE2 | HE2 | 120.2° | 120.0° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 120.2° | 120.0° |
| CE2 | CD2 | HD2 | 119.4° | 120.0° |
| CD2 | CE2 | HE2 | 120.2° | 120.1° |
| H | N | H2 | 109.5° | 111.0° |
| HB | CB | HBA | 110.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 105.5° | 120.0° |
| O | C | CA | H1 | 126.8° | 119.9° |
| O | C | OXT | H1 | 125.4° | 120.0° |
| O | C | CA | N | 170.1° | 65.0° |
| O | C | CA | CB | 67.0° | 175.0° |
| O | C | CA | HA | 51.9° | 55.0° |
| O | C | OXT | HXT | 180.0° | 60.0° |
| CA | C | OXT | H1 | 110.6° | 120.1° |
| C | CA | N | CB | 122.6° | 120.0° |
| C | CA | N | HA | 118.5° | 120.0° |
| C | CA | CB | HA | 118.5° | 120.0° |
| C | CA | CB | CG | 162.5° | 175.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.1° |
| C | CA | CB | HB | 77.5° | 65.0° |
| C | CA | CB | HBA | 42.5° | 55.0° |
| CA | C | O | HO | 180.0° | 179.9° |
| CA | C | OXT | HXT | 56.0° | 60.0° |
| OXT | C | CA | N | 84.4° | 55.0° |
| OXT | C | CA | CB | 38.5° | 65.0° |
| OXT | C | CA | HA | 157.4° | 175.0° |
| OXT | C | O | HO | 57.1° | 59.9° |
| N | CA | CB | HA | 118.2° | 120.1° |
| N | CA | CB | CG | 74.3° | 65.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HB | 45.8° | 55.0° |
| N | CA | CB | HBA | 165.7° | 175.0° |
| N | CA | C | H1 | 43.3° | 175.0° |
| CA | CB | CG | HB | 120.0° | 120.0° |
| CA | CB | CG | HBA | 120.0° | 120.0° |
| CA | CB | CG | CD1 | 4.0° | 90.0° |
| CA | CB | CG | CD2 | 176.0° | 90.3° |
| CB | CA | N | H | 57.4° | 60.0° |
| CB | CA | N | H2 | 177.4° | 64.0° |
| CA | CB | HB | HBA | 118.2° | 120.0° |
| CB | CA | C | H1 | 166.2° | 55.1° |
| CB | CG | CD1 | CD2 | 180.0° | 179.8° |
| CB | CG | CD1 | CE1 | 180.0° | 180.0° |
| CB | CG | CD2 | CE2 | 180.0° | 180.0° |
| CG | CB | CA | HA | 44.0° | 55.0° |
| CG | CB | HB | HBA | 118.2° | 120.1° |
| CB | CG | CD1 | HD1 | 0.1° | 0.0° |
| CB | CG | CD2 | HD2 | 0.0° | 0.0° |
| CG | CD1 | CE1 | CZ | 0.0° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.1° | 0.2° |
| CD1 | CG | CB | HB | 124.0° | 30.0° |
| CD1 | CG | CB | HBA | 116.0° | 150.0° |
| CD1 | CG | CD2 | HD2 | 179.9° | 179.7° |
| CG | CD1 | CE1 | HE1 | 180.0° | 179.8° |
| CG | CD2 | CE2 | CZ | 0.0° | 0.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.2° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CB | HB | 56.0° | 149.8° |
| CD2 | CG | CB | HBA | 64.0° | 29.7° |
| CD2 | CG | CD1 | HD1 | 179.9° | 179.8° |
| CG | CD2 | CE2 | HE2 | 179.9° | 179.7° |
| OH | CZ | CE1 | CE2 | 180.0° | 179.8° |
| OH | CZ | CE1 | CD1 | 180.0° | 180.0° |
| OH | CZ | CE2 | CD2 | 179.9° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.1° | 0.2° |
| OH | CZ | CE2 | HE2 | 0.1° | 0.2° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.8° |
| CE1 | CZ | CE2 | CD2 | 0.0° | 0.2° |
| CE1 | CZ | OH | HOH | 180.0° | 90.1° |
| CZ | CE1 | CD1 | HD1 | 179.9° | 180.0° |
| CE1 | CZ | CE2 | HE2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.0° | 0.2° |
| CZ | CE2 | CD2 | HE2 | 180.0° | 179.7° |
| CE2 | CZ | OH | HOH | 0.0° | 89.7° |
| CZ | CE2 | CD2 | HD2 | 180.0° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 180.0° | 179.9° |
| H | N | CA | HA | 61.6° | 180.0° |
| H2 | N | CA | HA | 58.4° | 56.1° |
| HA | CA | CB | HB | 164.0° | 175.0° |
| HA | CA | CB | HBA | 76.0° | 65.0° |
| HA | CA | C | H1 | 74.9° | 64.9° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.2° |
| HD2 | CD2 | CE2 | HE2 | 0.1° | 0.3° |
| HO | O | C | H1 | 69.3° | 60.1° |
| HXT | OXT | C | H1 | 54.6° | 179.9° |
