BSZ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S | CG | sing | 1.76Å | 1.61Å | |
| S | OB1 | doub | 1.42Å | 1.42Å | |
| S | OB2 | doub | 1.42Å | 1.44Å | |
| S | OXT | sing | 1.52Å | 1.61Å | |
| CL | CE2 | sing | 1.74Å | 1.79Å | |
| CG | CD1 | doub | 1.38Å | 1.40Å | Aromatic |
| CG | CD2 | sing | 1.38Å | 1.39Å | Aromatic |
| CH | OH | sing | 1.43Å | 1.43Å | |
| OH | CZ | sing | 1.36Å | 1.38Å | |
| CZ | CE1 | doub | 1.39Å | 1.39Å | Aromatic |
| CZ | CE2 | sing | 1.39Å | 1.38Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.40Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.39Å | Aromatic |
| CH | HH | sing | 1.09Å | 1.10Å | |
| CH | HHA | sing | 1.09Å | 1.10Å | |
| CH | HHB | sing | 1.09Å | 1.10Å | |
| CD1 | HD1 | sing | 1.08Å | 1.08Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | 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) |
| CG | S | OB1 | 108.8° | 106.4° |
| CG | S | OB2 | 109.3° | 106.4° |
| CG | S | OXT | 109.7° | 107.2° |
| S | CG | CD1 | 119.9° | 119.9° |
| S | CG | CD2 | 121.2° | 120.0° |
| OB1 | S | OB2 | 114.2° | 123.1° |
| OB1 | S | OXT | 106.6° | 106.4° |
| OB2 | S | OXT | 108.2° | 106.4° |
| S | OXT | HXT | 109.5° | 114.0° |
| CL | CE2 | CZ | 117.5° | 120.0° |
| CL | CE2 | CD2 | 121.2° | 120.1° |
| CD1 | CG | CD2 | 118.9° | 120.1° |
| CG | CD1 | CE1 | 121.2° | 120.1° |
| CG | CD1 | HD1 | 119.4° | 119.9° |
| CG | CD2 | CE2 | 119.7° | 120.1° |
| CG | CD2 | HD2 | 120.1° | 120.0° |
| CH | OH | CZ | 121.1° | 117.0° |
| OH | CH | HH | 109.5° | 109.4° |
| OH | CH | HHA | 109.5° | 109.5° |
| OH | CH | HHB | 109.5° | 109.5° |
| OH | CZ | CE1 | 122.5° | 120.1° |
| OH | CZ | CE2 | 117.7° | 120.0° |
| CE1 | CZ | CE2 | 119.7° | 119.9° |
| CZ | CE1 | CD1 | 119.2° | 120.0° |
| CZ | CE1 | HE1 | 120.4° | 120.0° |
| CZ | CE2 | CD2 | 121.3° | 119.9° |
| CE1 | CD1 | HD1 | 119.4° | 120.0° |
| CD1 | CE1 | HE1 | 120.4° | 120.0° |
| CE2 | CD2 | HD2 | 120.2° | 120.0° |
| HH | CH | HHA | 109.5° | 109.5° |
| HH | CH | HHB | 109.5° | 109.5° |
| HHA | CH | HHB | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | S | OB1 | OB2 | 122.4° | 123.0° |
| CG | S | OB1 | OXT | 118.2° | 114.1° |
| CG | S | OB2 | OXT | 119.4° | 114.1° |
| S | CG | CD1 | CD2 | 179.5° | 179.7° |
| S | CG | CD1 | CE1 | 179.8° | 179.9° |
| S | CG | CD2 | CE2 | 180.0° | 180.0° |
| S | CG | CD1 | HD1 | 0.2° | 0.1° |
| S | CG | CD2 | HD2 | 0.0° | 0.1° |
| CG | S | OXT | HXT | 117.6° | 180.0° |
| OB1 | S | OB2 | OXT | 118.5° | 122.9° |
| OB1 | S | CG | CD1 | 149.0° | 156.5° |
| OB1 | S | CG | CD2 | 31.5° | 23.2° |
| OB1 | S | OXT | HXT | 0.0° | 66.4° |
| OB2 | S | CG | CD1 | 23.7° | 23.5° |
| OB2 | S | CG | CD2 | 156.8° | 156.2° |
| OB2 | S | OXT | HXT | 123.3° | 66.4° |
| OXT | S | CG | CD1 | 94.8° | 90.0° |
| OXT | S | CG | CD2 | 84.7° | 90.3° |
| CL | CE2 | CD2 | CG | 179.9° | 179.7° |
| CL | CE2 | CZ | OH | 0.5° | 0.2° |
| CL | CE2 | CZ | CE1 | 179.8° | 180.0° |
| CL | CE2 | CZ | CD2 | 179.2° | 179.8° |
| CL | CE2 | CD2 | HD2 | 0.1° | 0.2° |
| CG | CD1 | CE1 | CZ | 0.2° | 0.0° |
| CG | CD1 | CE1 | HD1 | 180.0° | 180.0° |
| CD1 | CG | CD2 | CE2 | 0.5° | 0.3° |
| CD1 | CG | CD2 | HD2 | 179.5° | 179.8° |
| CG | CD1 | CE1 | HE1 | 179.8° | 179.7° |
| CG | CD2 | CE2 | CZ | 0.7° | 0.1° |
| CD2 | CG | CD1 | CE1 | 0.3° | 0.2° |
| CG | CD2 | CE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG | CD1 | HD1 | 179.7° | 179.7° |
| CH | OH | CZ | CE1 | 3.4° | 0.0° |
| CH | OH | CZ | CE2 | 176.9° | 179.8° |
| OH | CH | HH | HHA | 120.0° | 120.0° |
| OH | CH | HH | HHB | 120.0° | 120.0° |
| OH | CH | HHA | HHB | 120.0° | 120.0° |
| OH | CZ | CE1 | CE2 | 179.7° | 179.8° |
| OH | CZ | CE1 | CD1 | 180.0° | 179.9° |
| OH | CZ | CE2 | CD2 | 179.7° | 180.0° |
| CZ | OH | CH | HH | 180.0° | 60.0° |
| CZ | OH | CH | HHA | 60.0° | 60.0° |
| CZ | OH | CH | HHB | 60.0° | 180.0° |
| OH | CZ | CE1 | HE1 | 0.0° | 0.2° |
| CZ | CE1 | CD1 | HE1 | 180.0° | 179.7° |
| CE1 | CZ | CE2 | CD2 | 0.6° | 0.2° |
| CZ | CE1 | CD1 | HD1 | 179.8° | 180.0° |
| CE2 | CZ | CE1 | CD1 | 0.3° | 0.3° |
| CZ | CE2 | CD2 | HD2 | 179.3° | 180.0° |
| CE2 | CZ | CE1 | HE1 | 179.7° | 180.0° |
| HH | CH | HHA | HHB | 120.0° | 120.0° |
| HD1 | CD1 | CE1 | HE1 | 0.2° | 0.3° |
