HCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| CG | SD | sing | 1.81Å | 1.83Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| SD | HD | sing | 1.34Å | 0.95Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 110.4° | 106.7° |
| CA | N | H2 | 111.9° | 106.7° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | C | 112.5° | 109.4° |
| N | CA | HA | 106.4° | 109.5° |
| H | N | H2 | 111.8° | 106.7° |
| CB | CA | C | 108.6° | 109.5° |
| CB | CA | HA | 110.5° | 109.5° |
| CA | CB | CG | 116.7° | 109.5° |
| CA | CB | HB2 | 109.6° | 109.5° |
| CA | CB | HB3 | 109.6° | 109.5° |
| C | CA | HA | 108.4° | 109.5° |
| CA | C | OXT | 118.9° | 120.0° |
| CA | C | O | 117.4° | 120.1° |
| CG | CB | HB2 | 109.5° | 109.5° |
| CG | CB | HB3 | 109.6° | 109.4° |
| CB | CG | SD | 106.6° | 109.6° |
| CB | CG | HG2 | 113.3° | 109.5° |
| CB | CG | HG3 | 113.3° | 109.4° |
| HB2 | CB | HB3 | 100.6° | 109.4° |
| SD | CG | HG2 | 113.3° | 109.5° |
| SD | CG | HG3 | 113.3° | 109.5° |
| CG | SD | HD | 106.6° | 100.1° |
| HG2 | CG | HG3 | 97.2° | 109.5° |
| OXT | C | O | 123.7° | 119.9° |
| C | OXT | HXT | 119.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.8° |
| N | CA | CB | C | 123.8° | 120.0° |
| N | CA | CB | HA | 117.5° | 120.0° |
| N | CA | C | HA | 117.4° | 120.0° |
| N | CA | CB | CG | 75.1° | 60.1° |
| N | CA | CB | HB2 | 50.1° | 60.0° |
| N | CA | CB | HB3 | 159.6° | 180.0° |
| N | CA | C | OXT | 23.2° | 150.0° |
| N | CA | C | O | 157.5° | 30.1° |
| H | N | CA | CB | 179.9° | 59.9° |
| H | N | CA | C | 58.6° | 60.1° |
| H | N | CA | HA | 60.0° | 180.0° |
| H2 | N | CA | CB | 54.7° | 53.8° |
| H2 | N | CA | C | 176.2° | 173.8° |
| H2 | N | CA | HA | 65.2° | 66.2° |
| CB | CA | C | HA | 120.1° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 115.4° | 120.0° |
| CA | CB | CG | SD | 175.2° | 180.0° |
| CA | CB | CG | HG2 | 49.9° | 60.0° |
| CA | CB | CG | HG3 | 59.6° | 60.0° |
| CB | CA | C | OXT | 99.3° | 90.0° |
| CB | CA | C | O | 80.0° | 89.9° |
| C | CA | CB | CG | 161.2° | 180.0° |
| C | CA | CB | HB2 | 73.6° | 60.0° |
| C | CA | CB | HB3 | 35.9° | 60.0° |
| CA | C | OXT | O | 179.2° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 42.4° | 60.0° |
| HA | CA | CB | HB2 | 167.6° | 180.0° |
| HA | CA | CB | HB3 | 82.9° | 60.0° |
| HA | CA | C | OXT | 140.6° | 30.1° |
| HA | CA | C | O | 40.1° | 150.0° |
| CG | CB | HB2 | HB3 | 115.3° | 119.9° |
| CB | CG | SD | HG2 | 125.3° | 120.0° |
| CB | CG | SD | HG3 | 125.3° | 120.0° |
| CB | CG | HG2 | HG3 | 119.2° | 119.9° |
| CB | CG | SD | HD | 180.0° | 180.0° |
| HB2 | CB | CG | SD | 59.6° | 60.0° |
| HB2 | CB | CG | HG2 | 175.1° | 180.0° |
| HB2 | CB | CG | HG3 | 65.7° | 60.0° |
| HB3 | CB | CG | SD | 49.9° | 60.0° |
| HB3 | CB | CG | HG2 | 75.4° | 60.1° |
| HB3 | CB | CG | HG3 | 175.1° | 180.0° |
| SD | CG | HG2 | HG3 | 119.2° | 120.0° |
| HG2 | CG | SD | HD | 54.7° | 60.0° |
| HG3 | CG | SD | HD | 54.7° | 60.0° |
| O | C | OXT | HXT | 0.8° | 0.1° |
