HS8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.42Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.50Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CG | CD2 | doub | 1.35Å | 1.35Å | Aromatic |
| ND1 | CG | sing | 1.34Å | 1.36Å | Aromatic |
| ND1 | CE1 | doub | 1.30Å | 1.32Å | Aromatic |
| CE1 | NE2 | sing | 1.35Å | 1.32Å | Aromatic |
| NE2 | S | sing | 1.66Å | 2.07Å | |
| CD2 | NE2 | sing | 1.37Å | 1.37Å | Aromatic |
| CD2 | HD2 | sing | 1.08Å | 1.08Å | |
| C | CA | sing | 1.51Å | 1.48Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| O | C | doub | 1.21Å | 1.21Å | |
| S | O3 | doub | 1.42Å | 1.49Å | |
| S | O2 | sing | 1.52Å | 1.43Å | |
| O1 | S | doub | 1.42Å | 1.47Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| ND1 | HD1 | sing | 0.97Å | 1.00Å | |
| CE1 | HE1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.1° |
| N | CA | CB | 110.4° | 109.4° |
| N | CA | HA | 105.7° | 109.4° |
| N | CA | C | 112.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | HA | 112.3° | 109.5° |
| CA | CB | CG | 113.5° | 109.5° |
| CA | CB | HB2 | 108.1° | 109.5° |
| CA | CB | HB3 | 107.2° | 109.5° |
| CB | CA | C | 105.9° | 109.5° |
| HA | CA | C | 110.2° | 109.5° |
| CG | CB | HB2 | 108.2° | 109.4° |
| CG | CB | HB3 | 107.2° | 109.5° |
| CB | CG | CD2 | 131.3° | 126.0° |
| CB | CG | ND1 | 122.6° | 126.0° |
| HB2 | CB | HB3 | 112.7° | 109.4° |
| CD2 | CG | ND1 | 106.1° | 108.0° |
| CG | CD2 | NE2 | 106.8° | 106.8° |
| CG | CD2 | HD2 | 126.6° | 126.6° |
| CG | ND1 | CE1 | 109.5° | 109.3° |
| CG | ND1 | HD1 | 125.3° | 125.3° |
| ND1 | CE1 | NE2 | 107.4° | 108.7° |
| CE1 | ND1 | HD1 | 125.2° | 125.4° |
| ND1 | CE1 | HE1 | 126.3° | 125.7° |
| CE1 | NE2 | S | 126.9° | 126.4° |
| CE1 | NE2 | CD2 | 108.3° | 107.2° |
| NE2 | CE1 | HE1 | 126.3° | 125.7° |
| S | NE2 | CD2 | 124.6° | 126.4° |
| NE2 | S | O3 | 96.3° | 106.4° |
| NE2 | S | O2 | 117.8° | 107.2° |
| NE2 | S | O1 | 103.6° | 106.4° |
| NE2 | CD2 | HD2 | 126.6° | 126.6° |
| CA | C | OXT | 115.0° | 120.0° |
| CA | C | O | 120.5° | 120.0° |
| OXT | C | O | 124.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| O3 | S | O2 | 110.1° | 106.5° |
| O3 | S | O1 | 115.9° | 123.2° |
| O2 | S | O1 | 112.2° | 106.4° |
| S | O2 | HO2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | HA | 117.7° | 119.9° |
| N | CA | CB | C | 122.0° | 120.0° |
| N | CA | HA | C | 121.8° | 120.0° |
| N | CA | CB | CG | 68.4° | 65.0° |
| N | CA | CB | HB2 | 51.6° | 55.0° |
| N | CA | CB | HB3 | 173.4° | 175.0° |
| N | CA | C | OXT | 164.2° | 160.0° |
| N | CA | C | O | 16.7° | 20.0° |
| H | N | CA | CB | 46.2° | 60.0° |
| H | N | CA | HA | 75.5° | 180.0° |
| H | N | CA | C | 164.2° | 60.0° |
| H2 | N | CA | CB | 166.2° | 64.0° |
| H2 | N | CA | HA | 44.6° | 56.0° |
| H2 | N | CA | C | 75.8° | 176.0° |
| CB | CA | HA | C | 117.8° | 120.0° |
| CA | CB | CG | HB2 | 120.0° | 120.0° |
| CA | CB | CG | HB3 | 118.2° | 120.0° |
| CA | CB | HB2 | HB3 | 118.3° | 120.0° |
| CA | CB | CG | CD2 | 120.8° | 85.0° |
| CA | CB | CG | ND1 | 57.4° | 94.7° |
| CB | CA | C | OXT | 75.2° | 80.0° |
| CB | CA | C | O | 104.0° | 100.0° |
| HA | CA | CB | CG | 49.3° | 55.0° |
| HA | CA | CB | HB2 | 169.3° | 175.0° |
| HA | CA | CB | HB3 | 69.0° | 65.0° |
| HA | CA | C | OXT | 46.5° | 40.1° |
| HA | CA | C | O | 134.4° | 140.0° |
| CG | CB | HB2 | HB3 | 118.4° | 120.0° |
| CB | CG | CD2 | ND1 | 178.4° | 179.7° |
| CB | CG | ND1 | CE1 | 176.7° | 180.0° |
| CB | CG | CD2 | NE2 | 174.4° | 179.9° |
| CB | CG | CD2 | HD2 | 5.6° | 0.0° |
| CG | CB | CA | C | 169.6° | 175.0° |
| CB | CG | ND1 | HD1 | 3.3° | 0.0° |
| HB2 | CB | CG | CD2 | 119.2° | 35.0° |
| HB2 | CB | CG | ND1 | 62.6° | 145.3° |
| HB2 | CB | CA | C | 70.4° | 65.0° |
| HB3 | CB | CG | CD2 | 2.6° | 155.0° |
| HB3 | CB | CG | ND1 | 175.6° | 25.4° |
| HB3 | CB | CA | C | 51.4° | 55.0° |
| CD2 | CG | ND1 | CE1 | 4.8° | 0.3° |
| CG | CD2 | NE2 | CE1 | 11.4° | 0.4° |
| CG | CD2 | NE2 | S | 164.2° | 179.8° |
| CG | CD2 | NE2 | HD2 | 180.0° | 179.9° |
| CD2 | CG | ND1 | HD1 | 175.2° | 179.7° |
| CG | ND1 | CE1 | HD1 | 180.0° | 180.0° |
| CG | ND1 | CE1 | NE2 | 12.0° | 0.0° |
| ND1 | CG | CD2 | NE2 | 4.0° | 0.4° |
| ND1 | CG | CD2 | HD2 | 176.0° | 179.7° |
| CG | ND1 | CE1 | HE1 | 168.0° | 180.0° |
| ND1 | CE1 | NE2 | HE1 | 180.0° | 180.0° |
| ND1 | CE1 | NE2 | S | 161.2° | 180.0° |
| ND1 | CE1 | NE2 | CD2 | 14.4° | 0.3° |
| CE1 | NE2 | S | CD2 | 174.9° | 179.7° |
| CE1 | NE2 | CD2 | HD2 | 168.6° | 179.7° |
| CE1 | NE2 | S | O3 | 161.6° | 156.4° |
| CE1 | NE2 | S | O2 | 44.9° | 90.0° |
| CE1 | NE2 | S | O1 | 79.8° | 23.5° |
| NE2 | CE1 | ND1 | HD1 | 168.0° | 180.0° |
| S | NE2 | CD2 | HD2 | 15.7° | 0.1° |
| NE2 | S | O3 | O2 | 122.7° | 114.1° |
| NE2 | S | O3 | O1 | 108.5° | 122.9° |
| NE2 | S | O2 | O1 | 120.2° | 113.5° |
| NE2 | S | O2 | HO2 | 119.6° | 180.0° |
| S | NE2 | CE1 | HE1 | 18.9° | 0.0° |
| CD2 | NE2 | S | O3 | 23.5° | 23.8° |
| CD2 | NE2 | S | O2 | 140.3° | 89.7° |
| CD2 | NE2 | S | O1 | 95.1° | 156.8° |
| CD2 | NE2 | CE1 | HE1 | 165.6° | 179.8° |
| CA | C | OXT | O | 179.1° | 180.0° |
| CA | C | OXT | HXT | 179.1° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| O3 | S | O2 | O1 | 130.7° | 132.9° |
| O3 | S | O2 | HO2 | 10.5° | 66.4° |
| O1 | S | O2 | HO2 | 120.2° | 66.5° |
| HD1 | ND1 | CE1 | HE1 | 12.0° | 0.0° |
