HSO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| CE1 | ND1 | doub | 1.30Å | 1.32Å | Aromatic |
| NE2 | CD2 | sing | 1.37Å | 1.37Å | Aromatic |
| CA | C | sing | 1.53Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| ND1 | CG | sing | 1.34Å | 1.38Å | Aromatic |
| CD2 | CG | doub | 1.35Å | 1.35Å | Aromatic |
| O | C | sing | 1.43Å | 1.23Å | |
| CG | CB | sing | 1.51Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| ND1 | HD1 | sing | 0.97Å | 1.00Å | |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å | |
| NE2 | HE2 | sing | 0.97Å | 1.00Å | |
| C | H1 | sing | 1.09Å | 1.10Å | |
| C | H11 | sing | 1.09Å | 1.10Å | |
| O | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CA | C | 113.9° | 109.4° |
| N | CA | CB | 109.2° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.1° |
| N | CA | HA | 107.9° | 109.5° |
| NE2 | CE1 | ND1 | 107.8° | 108.7° |
| CE1 | NE2 | CD2 | 109.3° | 107.2° |
| NE2 | CE1 | HE1 | 126.1° | 125.6° |
| CE1 | NE2 | HE2 | 125.4° | 126.4° |
| CE1 | ND1 | CG | 109.6° | 109.2° |
| CE1 | ND1 | HD1 | 125.2° | 125.4° |
| ND1 | CE1 | HE1 | 126.1° | 125.6° |
| NE2 | CD2 | CG | 107.1° | 106.8° |
| NE2 | CD2 | HD2 | 126.5° | 126.6° |
| CD2 | NE2 | HE2 | 125.4° | 126.4° |
| C | CA | CB | 111.3° | 109.5° |
| CA | C | O | 120.4° | 109.5° |
| C | CA | HA | 107.2° | 109.4° |
| CA | C | H1 | 106.7° | 109.5° |
| CA | C | H11 | 106.7° | 109.5° |
| CA | CB | CG | 112.3° | 109.5° |
| CB | CA | HA | 107.0° | 109.5° |
| CA | CB | HB2 | 108.8° | 109.4° |
| CA | CB | HB3 | 108.8° | 109.5° |
| ND1 | CG | CD2 | 106.2° | 108.0° |
| ND1 | CG | CB | 121.9° | 126.0° |
| CG | ND1 | HD1 | 125.2° | 125.4° |
| CD2 | CG | CB | 130.6° | 126.0° |
| CG | CD2 | HD2 | 126.5° | 126.6° |
| O | C | H1 | 106.7° | 109.4° |
| O | C | H11 | 106.7° | 109.5° |
| C | O | HO | 109.5° | 114.0° |
| CG | CB | HB2 | 108.7° | 109.5° |
| CG | CB | HB3 | 108.8° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| HB2 | CB | HB3 | 109.5° | 109.5° |
| H1 | C | H11 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CA | C | CB | 124.1° | 120.0° |
| N | CA | C | HA | 119.3° | 120.0° |
| N | CA | CB | HA | 116.5° | 120.1° |
| N | CA | C | O | 3.0° | 65.0° |
| N | CA | CB | CG | 65.6° | 65.0° |
| CA | N | H | H2 | 120.0° | 124.1° |
| N | CA | CB | HB2 | 54.8° | 55.0° |
| N | CA | CB | HB3 | 174.0° | 174.9° |
| N | CA | C | H1 | 118.6° | 175.0° |
| N | CA | C | H11 | 124.5° | 55.0° |
| NE2 | CE1 | ND1 | HE1 | 180.0° | 179.9° |
| CE1 | NE2 | CD2 | HE2 | 180.0° | 180.0° |
| NE2 | CE1 | ND1 | CG | 0.6° | 0.2° |
| CE1 | NE2 | CD2 | CG | 1.2° | 0.1° |
| NE2 | CE1 | ND1 | HD1 | 179.5° | 179.9° |
| CE1 | NE2 | CD2 | HD2 | 178.8° | 179.8° |
| ND1 | CE1 | NE2 | CD2 | 0.4° | 0.0° |
| CE1 | ND1 | CG | HD1 | 180.0° | 179.9° |
| CE1 | ND1 | CG | CD2 | 1.3° | 0.3° |
| CE1 | ND1 | CG | CB | 166.8° | 180.0° |
| ND1 | CE1 | NE2 | HE2 | 179.6° | 180.0° |
| NE2 | CD2 | CG | ND1 | 1.5° | 0.2° |
| NE2 | CD2 | CG | HD2 | 180.0° | 179.9° |
| NE2 | CD2 | CG | CB | 165.2° | 180.0° |
| CD2 | NE2 | CE1 | HE1 | 179.6° | 180.0° |
| C | CA | CB | HA | 116.8° | 120.0° |
| CA | C | O | H1 | 121.5° | 120.0° |
| CA | C | O | H11 | 121.5° | 120.1° |
| C | CA | CB | CG | 167.7° | 175.0° |
| C | CA | N | H | 180.0° | 64.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| C | CA | CB | HB2 | 71.9° | 65.0° |
| C | CA | CB | HB3 | 47.3° | 55.0° |
| CA | C | H1 | H11 | 115.1° | 120.0° |
| CA | C | O | HO | 180.0° | 180.0° |
| CA | CB | CG | ND1 | 90.4° | 95.0° |
| CA | CB | CG | CD2 | 74.6° | 85.3° |
| CB | CA | C | O | 121.1° | 175.0° |
| CA | CB | CG | HB2 | 120.4° | 120.0° |
| CA | CB | CG | HB3 | 120.4° | 120.0° |
| CB | CA | N | H | 54.8° | 176.1° |
| CB | CA | N | H2 | 174.8° | 59.9° |
| CA | CB | HB2 | HB3 | 118.7° | 120.0° |
| CB | CA | C | H1 | 117.3° | 55.0° |
| CB | CA | C | H11 | 0.4° | 65.0° |
| ND1 | CG | CD2 | CB | 166.7° | 179.7° |
| ND1 | CG | CB | HB2 | 149.2° | 25.0° |
| ND1 | CG | CB | HB3 | 30.0° | 145.0° |
| ND1 | CG | CD2 | HD2 | 178.5° | 179.7° |
| CG | ND1 | CE1 | HE1 | 179.5° | 179.9° |
| CD2 | CG | CB | HB2 | 45.9° | 154.7° |
| CD2 | CG | CB | HB3 | 165.0° | 34.7° |
| CD2 | CG | ND1 | HD1 | 178.7° | 179.8° |
| CG | CD2 | NE2 | HE2 | 178.8° | 179.9° |
| O | C | CA | HA | 122.2° | 55.0° |
| O | C | H1 | H11 | 115.1° | 119.9° |
| CG | CB | CA | HA | 51.0° | 55.0° |
| CG | CB | HB2 | HB3 | 118.7° | 120.0° |
| CB | CG | ND1 | HD1 | 13.1° | 0.1° |
| CB | CG | CD2 | HD2 | 14.8° | 0.0° |
| H | N | CA | HA | 61.1° | 56.0° |
| H2 | N | CA | HA | 58.8° | 180.0° |
| HA | CA | CB | HB2 | 171.4° | 175.0° |
| HA | CA | CB | HB3 | 69.5° | 65.0° |
| HA | CA | C | H1 | 0.7° | 65.0° |
| HA | CA | C | H11 | 116.3° | 175.0° |
| HD1 | ND1 | CE1 | HE1 | 0.5° | 0.0° |
| HD2 | CD2 | NE2 | HE2 | 1.2° | 0.2° |
| HE1 | CE1 | NE2 | HE2 | 0.4° | 0.0° |
| H1 | C | O | HO | 58.5° | 60.0° |
| H11 | C | O | HO | 58.5° | 59.9° |
