HCL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.26Å | |
| C | CA | sing | 1.51Å | 1.57Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CL | C2 | sing | 1.74Å | 1.72Å | |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C1 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | CA | sing | 1.51Å | 1.54Å | |
| C2 | C3 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.36Å | |
| C3 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C4 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| O4 | C6 | sing | 1.36Å | 1.38Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| CA | HA | 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) |
| O | C | CA | 116.9° | 120.0° |
| O | C | OXT | 121.5° | 120.0° |
| CA | C | OXT | 121.5° | 120.0° |
| C | CA | N | 117.5° | 109.4° |
| C | CA | C1 | 111.3° | 109.4° |
| C | CA | HA | 106.1° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C1 | 107.9° | 109.5° |
| N | CA | HA | 107.0° | 109.5° |
| H2 | N | H | 109.5° | 111.0° |
| CL | C2 | C1 | 122.1° | 120.0° |
| CL | C2 | C3 | 117.5° | 120.0° |
| C2 | C1 | C5 | 119.1° | 120.1° |
| C2 | C1 | CA | 121.3° | 119.9° |
| C1 | C2 | C3 | 120.4° | 120.0° |
| C5 | C1 | CA | 119.6° | 120.0° |
| C1 | C5 | C6 | 120.4° | 120.0° |
| C1 | C5 | H5 | 119.8° | 120.0° |
| C1 | CA | HA | 106.4° | 109.5° |
| C2 | C3 | O3 | 118.1° | 120.0° |
| C2 | C3 | C4 | 120.6° | 119.9° |
| O3 | C3 | C4 | 121.4° | 120.0° |
| C3 | O3 | HO3 | 109.5° | 114.0° |
| C3 | C4 | C6 | 119.1° | 119.9° |
| C3 | C4 | H4 | 120.4° | 120.1° |
| C6 | C4 | H4 | 120.4° | 120.0° |
| C4 | C6 | O4 | 119.6° | 120.0° |
| C4 | C6 | C5 | 120.3° | 120.0° |
| C6 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C6 | C5 | 119.9° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.8° |
| O | C | CA | N | 157.4° | 19.9° |
| O | C | CA | C1 | 77.5° | 100.0° |
| O | C | CA | HA | 37.8° | 139.9° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | C1 | 126.8° | 119.9° |
| C | CA | N | HA | 119.1° | 120.0° |
| C | CA | N | H2 | 180.0° | 64.0° |
| C | CA | N | H | 60.0° | 60.1° |
| C | CA | C1 | C2 | 97.7° | 85.1° |
| C | CA | C1 | C5 | 83.5° | 95.3° |
| C | CA | C1 | HA | 115.1° | 120.0° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | CA | N | 22.5° | 160.3° |
| OXT | C | CA | C1 | 102.6° | 79.8° |
| OXT | C | CA | HA | 142.1° | 40.3° |
| CA | N | H2 | H | 120.0° | 124.0° |
| N | CA | C1 | C2 | 132.0° | 155.0° |
| N | CA | C1 | C5 | 46.8° | 24.6° |
| N | CA | C1 | HA | 114.5° | 120.1° |
| H2 | N | CA | C1 | 53.2° | 176.1° |
| H2 | N | CA | HA | 60.9° | 56.0° |
| H | N | CA | C1 | 173.2° | 59.9° |
| H | N | CA | HA | 59.1° | 180.0° |
| CL | C2 | C1 | C3 | 179.5° | 179.9° |
| CL | C2 | C1 | C5 | 179.1° | 180.0° |
| CL | C2 | C1 | CA | 0.3° | 0.4° |
| CL | C2 | C3 | O3 | 1.2° | 0.1° |
| CL | C2 | C3 | C4 | 179.1° | 180.0° |
| C2 | C1 | C5 | CA | 178.8° | 179.6° |
| C1 | C2 | C3 | O3 | 179.3° | 180.0° |
| C1 | C2 | C3 | C4 | 0.4° | 0.1° |
| C2 | C1 | C5 | C6 | 0.2° | 0.0° |
| C2 | C1 | C5 | H5 | 179.8° | 179.9° |
| C2 | C1 | CA | HA | 17.5° | 34.9° |
| C5 | C1 | C2 | C3 | 0.4° | 0.1° |
| C1 | C5 | C6 | C4 | 0.9° | 0.1° |
| C1 | C5 | C6 | O4 | 173.9° | 180.0° |
| C1 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C1 | CA | HA | 161.3° | 144.7° |
| CA | C1 | C2 | C3 | 179.2° | 179.7° |
| CA | C1 | C5 | C6 | 178.6° | 179.7° |
| CA | C1 | C5 | H5 | 1.4° | 0.3° |
| C2 | C3 | O3 | C4 | 179.7° | 180.0° |
| C2 | C3 | O3 | HO3 | 180.0° | 90.0° |
| C2 | C3 | C4 | C6 | 0.4° | 0.0° |
| C2 | C3 | C4 | H4 | 179.6° | 180.0° |
| O3 | C3 | C4 | C6 | 180.0° | 180.0° |
| O3 | C3 | C4 | H4 | 0.0° | 0.0° |
| C4 | C3 | O3 | HO3 | 0.3° | 90.0° |
| C3 | C4 | C6 | H4 | 180.0° | 180.0° |
| C3 | C4 | C6 | O4 | 173.8° | 180.0° |
| C3 | C4 | C6 | C5 | 1.0° | 0.1° |
| C4 | C6 | O4 | C5 | 174.8° | 179.9° |
| C4 | C6 | O4 | HO4 | 180.0° | 90.0° |
| C4 | C6 | C5 | H5 | 179.1° | 180.0° |
| H4 | C4 | C6 | O4 | 6.2° | 0.0° |
| H4 | C4 | C6 | C5 | 179.0° | 179.9° |
| O4 | C6 | C5 | H5 | 6.1° | 0.1° |
| HO4 | O4 | C6 | C5 | 5.2° | 90.0° |
