CYS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| CB | SG | sing | 1.81Å | 1.82Å | |
| CB | HB2 | sing | 1.09Å | 1.11Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| SG | HG | sing | 1.34Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 112.6° | 106.7° |
| CA | N | H2 | 111.1° | 106.7° |
| N | CA | C | 112.6° | 109.4° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | HA | 107.0° | 109.4° |
| H | N | H2 | 111.1° | 106.6° |
| C | CA | CB | 110.2° | 109.5° |
| C | CA | HA | 107.1° | 109.5° |
| CA | C | O | 117.5° | 120.1° |
| CA | C | OXT | 118.3° | 120.0° |
| CB | CA | HA | 109.5° | 109.5° |
| CA | CB | SG | 115.5° | 109.5° |
| CA | CB | HB2 | 110.0° | 109.5° |
| CA | CB | HB3 | 110.0° | 109.4° |
| O | C | OXT | 124.2° | 120.0° |
| C | OXT | HXT | 118.4° | 120.0° |
| SG | CB | HB2 | 110.0° | 109.4° |
| SG | CB | HB3 | 110.0° | 109.5° |
| CB | SG | HG | 115.6° | 100.0° |
| HB2 | CB | HB3 | 100.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.7° |
| N | CA | C | CB | 123.5° | 120.0° |
| N | CA | C | HA | 117.4° | 119.9° |
| N | CA | CB | HA | 117.5° | 120.0° |
| N | CA | C | O | 84.1° | 30.0° |
| N | CA | C | OXT | 96.6° | 150.0° |
| N | CA | CB | SG | 20.3° | 60.0° |
| N | CA | CB | HB2 | 145.6° | 60.0° |
| N | CA | CB | HB3 | 104.9° | 180.0° |
| H | N | CA | C | 180.0° | 60.1° |
| H | N | CA | CB | 56.5° | 59.9° |
| H | N | CA | HA | 62.6° | 180.0° |
| H2 | N | CA | C | 54.7° | 173.7° |
| H2 | N | CA | CB | 68.8° | 53.7° |
| H2 | N | CA | HA | 172.1° | 66.3° |
| C | CA | CB | HA | 117.6° | 120.1° |
| CA | C | O | OXT | 179.3° | 180.0° |
| C | CA | CB | SG | 104.6° | 179.9° |
| C | CA | CB | HB2 | 20.7° | 60.0° |
| C | CA | CB | HB3 | 130.2° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| CB | CA | C | O | 39.5° | 90.0° |
| CB | CA | C | OXT | 139.9° | 90.0° |
| CA | CB | SG | HB2 | 125.2° | 120.0° |
| CA | CB | SG | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 115.8° | 120.0° |
| CA | CB | SG | HG | 180.0° | 180.0° |
| HA | CA | C | O | 158.6° | 149.9° |
| HA | CA | C | OXT | 20.8° | 30.1° |
| HA | CA | CB | SG | 137.8° | 60.0° |
| HA | CA | CB | HB2 | 96.9° | 180.0° |
| HA | CA | CB | HB3 | 12.6° | 60.0° |
| O | C | OXT | HXT | 0.7° | 0.0° |
| SG | CB | HB2 | HB3 | 115.9° | 120.0° |
| HB2 | CB | SG | HG | 54.8° | 60.0° |
| HB3 | CB | SG | HG | 54.8° | 60.0° |
