4OS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | OB1 | doub | 1.42Å | 1.42Å | |
| S | OB2 | doub | 1.42Å | 1.44Å | |
| S | OXT | sing | 1.52Å | 1.20Å | |
| CG | CD2 | sing | 1.38Å | 1.40Å | Aromatic |
| CG | S | sing | 1.76Å | 1.62Å | |
| CD1 | CG | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | CE2 | doub | 1.38Å | 1.40Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | CD1 | sing | 1.38Å | 1.40Å | Aromatic |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| CE2 | HE2 | sing | 1.08Å | 1.08Å | |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.39Å | Aromatic |
| OH | CZ | sing | 1.36Å | 1.38Å | |
| CH | OH | sing | 1.43Å | 1.43Å | |
| CH | HH1 | sing | 1.09Å | 1.10Å | |
| CH | HH2 | sing | 1.09Å | 1.10Å | |
| CH | HH3 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| OB1 | S | OB2 | 116.6° | 123.2° |
| OB1 | S | OXT | 104.5° | 106.4° |
| OB1 | S | CG | 110.1° | 106.4° |
| OB2 | S | OXT | 90.1° | 106.4° |
| OB2 | S | CG | 109.7° | 106.4° |
| OXT | S | CG | 125.1° | 107.2° |
| S | OXT | HXT | 109.5° | 114.0° |
| CD2 | CG | S | 121.1° | 119.9° |
| CD2 | CG | CD1 | 118.0° | 120.1° |
| CG | CD2 | CE2 | 121.5° | 120.0° |
| CG | CD2 | HD2 | 119.2° | 120.0° |
| S | CG | CD1 | 120.8° | 119.9° |
| CG | CD1 | HD1 | 119.5° | 120.0° |
| CG | CD1 | CE1 | 120.9° | 120.0° |
| HD1 | CD1 | CE1 | 119.6° | 120.0° |
| CE2 | CD2 | HD2 | 119.2° | 120.0° |
| CD2 | CE2 | HE2 | 120.1° | 120.0° |
| CD2 | CE2 | CZ | 119.8° | 120.0° |
| CD1 | CE1 | HE1 | 120.0° | 120.0° |
| CD1 | CE1 | CZ | 120.1° | 120.0° |
| HE1 | CE1 | CZ | 119.9° | 120.0° |
| HE2 | CE2 | CZ | 120.1° | 120.0° |
| CE1 | CZ | CE2 | 119.6° | 119.9° |
| CE1 | CZ | OH | 121.5° | 120.0° |
| CE2 | CZ | OH | 118.8° | 120.1° |
| CZ | OH | CH | 117.9° | 117.0° |
| OH | CH | HH1 | 109.5° | 109.4° |
| OH | CH | HH2 | 109.4° | 109.5° |
| OH | CH | HH3 | 109.5° | 109.5° |
| HH1 | CH | HH2 | 109.4° | 109.5° |
| HH1 | CH | HH3 | 109.5° | 109.5° |
| HH2 | CH | HH3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OB1 | S | OB2 | OXT | 106.3° | 122.9° |
| OB1 | S | OB2 | CG | 126.0° | 123.0° |
| OB1 | S | OXT | CG | 128.0° | 113.5° |
| OB1 | S | CG | CD2 | 31.0° | 156.5° |
| OB1 | S | CG | CD1 | 150.0° | 23.8° |
| OB1 | S | OXT | HXT | 117.6° | 66.5° |
| OB2 | S | OXT | CG | 114.4° | 113.5° |
| OB2 | S | CG | CD2 | 160.6° | 23.5° |
| OB2 | S | CG | CD1 | 20.4° | 156.8° |
| OB2 | S | OXT | HXT | 0.0° | 66.4° |
| OXT | S | CG | CD2 | 94.7° | 90.0° |
| OXT | S | CG | CD1 | 84.3° | 89.7° |
| CD2 | CG | S | CD1 | 179.0° | 179.7° |
| CD2 | CG | CD1 | HD1 | 180.0° | 179.9° |
| CG | CD2 | CE2 | HD2 | 180.0° | 180.0° |
| CD2 | CG | CD1 | CE1 | 0.1° | 0.1° |
| CG | CD2 | CE2 | HE2 | 178.9° | 180.0° |
| CG | CD2 | CE2 | CZ | 1.1° | 0.5° |
| S | CG | CD1 | HD1 | 1.0° | 0.3° |
| S | CG | CD2 | CE2 | 178.4° | 180.0° |
| S | CG | CD2 | HD2 | 1.6° | 0.0° |
| S | CG | CD1 | CE1 | 179.0° | 179.8° |
| CG | S | OXT | HXT | 114.4° | 180.0° |
| CG | CD1 | HD1 | CE1 | 180.0° | 179.9° |
| CD1 | CG | CD2 | CE2 | 0.6° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.4° | 179.7° |
| CG | CD1 | CE1 | HE1 | 179.9° | 180.0° |
| CG | CD1 | CE1 | CZ | 0.1° | 0.0° |
| HD1 | CD1 | CE1 | HE1 | 0.1° | 0.1° |
| HD1 | CD1 | CE1 | CZ | 179.9° | 179.9° |
| CD2 | CE2 | HE2 | CZ | 180.0° | 179.5° |
| CD2 | CE2 | CZ | CE1 | 0.9° | 0.5° |
| CD2 | CE2 | CZ | OH | 178.6° | 179.7° |
| HD2 | CD2 | CE2 | HE2 | 1.1° | 0.0° |
| HD2 | CD2 | CE2 | CZ | 178.9° | 179.5° |
| CD1 | CE1 | HE1 | CZ | 180.0° | 180.0° |
| CD1 | CE1 | CZ | CE2 | 0.4° | 0.3° |
| CD1 | CE1 | CZ | OH | 178.0° | 180.0° |
| HE1 | CE1 | CZ | CE2 | 179.6° | 179.7° |
| HE1 | CE1 | CZ | OH | 2.0° | 0.0° |
| HE2 | CE2 | CZ | CE1 | 179.0° | 180.0° |
| HE2 | CE2 | CZ | OH | 1.3° | 0.3° |
| CE1 | CZ | CE2 | OH | 177.7° | 179.7° |
| CE1 | CZ | OH | CH | 0.3° | 180.0° |
| CE2 | CZ | OH | CH | 177.4° | 0.2° |
| CZ | OH | CH | HH1 | 180.0° | 60.0° |
| CZ | OH | CH | HH2 | 60.0° | 60.0° |
| CZ | OH | CH | HH3 | 60.0° | 180.0° |
| OH | CH | HH1 | HH2 | 120.0° | 120.0° |
| OH | CH | HH1 | HH3 | 120.0° | 120.0° |
| OH | CH | HH2 | HH3 | 120.0° | 120.0° |
| HH1 | CH | HH2 | HH3 | 120.0° | 120.0° |
