CCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.57Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | SG | sing | 1.81Å | 1.82Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| SG | CD | sing | 1.81Å | 1.80Å | |
| CD | CE | sing | 1.51Å | 1.52Å | |
| CD | HD2 | sing | 1.09Å | 1.12Å | |
| CD | HD3 | sing | 1.09Å | 1.12Å | |
| CE | OZ1 | doub | 1.21Å | 1.24Å | |
| CE | OZ2 | sing | 1.34Å | 1.23Å | |
| OZ2 | HZ2 | sing | 0.97Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.35Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 107.5° | 106.7° |
| CA | N | H2 | 113.0° | 106.6° |
| N | CA | CB | 107.5° | 109.5° |
| N | CA | C | 106.4° | 109.4° |
| N | CA | HA | 113.2° | 109.4° |
| H | N | H2 | 113.0° | 106.7° |
| CB | CA | C | 110.8° | 109.6° |
| CB | CA | HA | 108.9° | 109.4° |
| CA | CB | SG | 113.8° | 109.6° |
| CA | CB | HB2 | 110.6° | 109.4° |
| CA | CB | HB3 | 110.7° | 109.5° |
| C | CA | HA | 110.0° | 109.4° |
| CA | C | O | 120.2° | 120.0° |
| CA | C | OXT | 117.8° | 120.0° |
| SG | CB | HB2 | 110.6° | 109.4° |
| SG | CB | HB3 | 110.6° | 109.5° |
| CB | SG | CD | 104.7° | 100.1° |
| HB2 | CB | HB3 | 99.7° | 109.4° |
| SG | CD | CE | 119.0° | 109.5° |
| SG | CD | HD2 | 108.8° | 109.4° |
| SG | CD | HD3 | 108.8° | 109.5° |
| CE | CD | HD2 | 108.8° | 109.5° |
| CE | CD | HD3 | 108.8° | 109.5° |
| CD | CE | OZ1 | 121.6° | 120.0° |
| CD | CE | OZ2 | 119.4° | 120.0° |
| HD2 | CD | HD3 | 101.2° | 109.4° |
| OZ1 | CE | OZ2 | 118.5° | 120.0° |
| CE | OZ2 | HZ2 | 119.4° | 119.9° |
| O | C | OXT | 122.0° | 120.0° |
| C | OXT | HXT | 117.9° | 120.1° |
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 | CB | C | 115.9° | 120.0° |
| N | CA | CB | HA | 123.0° | 120.0° |
| N | CA | C | HA | 123.0° | 119.9° |
| N | CA | CB | SG | 60.0° | 59.9° |
| N | CA | CB | HB2 | 174.8° | 60.0° |
| N | CA | CB | HB3 | 65.3° | 180.0° |
| N | CA | C | O | 138.3° | 30.1° |
| N | CA | C | OXT | 41.1° | 150.0° |
| H | N | CA | CB | 180.0° | 53.7° |
| H | N | CA | C | 61.2° | 173.9° |
| H | N | CA | HA | 59.7° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.0° |
| H2 | N | CA | C | 173.4° | 60.1° |
| H2 | N | CA | HA | 65.7° | 180.0° |
| CB | CA | C | HA | 120.5° | 120.0° |
| CA | CB | SG | HB2 | 125.3° | 120.0° |
| CA | CB | SG | HB3 | 125.3° | 120.1° |
| CA | CB | HB2 | HB3 | 116.5° | 120.0° |
| CA | CB | SG | CD | 119.1° | 180.0° |
| CB | CA | C | O | 105.2° | 90.0° |
| CB | CA | C | OXT | 75.5° | 89.9° |
| C | CA | CB | SG | 55.9° | 180.0° |
| C | CA | CB | HB2 | 69.3° | 60.0° |
| C | CA | CB | HB3 | 178.8° | 59.9° |
| CA | C | O | OXT | 179.3° | 179.9° |
| CA | C | OXT | HXT | 179.9° | 179.9° |
| HA | CA | CB | SG | 177.0° | 60.0° |
| HA | CA | CB | HB2 | 51.8° | 180.0° |
| HA | CA | CB | HB3 | 57.7° | 60.1° |
| HA | CA | C | O | 15.3° | 150.0° |
| HA | CA | C | OXT | 164.1° | 30.1° |
| SG | CB | HB2 | HB3 | 116.5° | 120.0° |
| CB | SG | CD | CE | 77.1° | 180.0° |
| CB | SG | CD | HD2 | 157.6° | 60.0° |
| CB | SG | CD | HD3 | 48.2° | 59.9° |
| HB2 | CB | SG | CD | 115.6° | 60.0° |
| HB3 | CB | SG | CD | 6.2° | 59.9° |
| SG | CD | CE | HD2 | 125.3° | 119.9° |
| SG | CD | CE | HD3 | 125.3° | 120.0° |
| SG | CD | HD2 | HD3 | 114.5° | 119.9° |
| SG | CD | CE | OZ1 | 27.7° | 0.0° |
| SG | CD | CE | OZ2 | 160.0° | 180.0° |
| CE | CD | HD2 | HD3 | 114.5° | 120.1° |
| CD | CE | OZ1 | OZ2 | 172.4° | 179.9° |
| CD | CE | OZ2 | HZ2 | 180.0° | 180.0° |
| HD2 | CD | CE | OZ1 | 153.0° | 119.9° |
| HD2 | CD | CE | OZ2 | 34.7° | 60.0° |
| HD3 | CD | CE | OZ1 | 97.6° | 120.1° |
| HD3 | CD | CE | OZ2 | 74.7° | 60.0° |
| OZ1 | CE | OZ2 | HZ2 | 7.4° | 0.1° |
| O | C | OXT | HXT | 0.7° | 0.0° |
