OCS
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 | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | SG | sing | 1.81Å | 1.81Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| SG | OD1 | doub | 1.42Å | 1.48Å | |
| SG | OD2 | sing | 1.52Å | 1.50Å | |
| SG | OD3 | doub | 1.42Å | 1.49Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OD2 | HD2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | CB | 114.0° | 109.5° |
| N | CA | C | 112.2° | 109.4° |
| N | CA | HA | 109.4° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | C | 102.9° | 109.5° |
| CB | CA | HA | 109.0° | 109.5° |
| CA | CB | SG | 114.7° | 109.5° |
| CA | CB | HB2 | 108.1° | 109.5° |
| CA | CB | HB3 | 108.2° | 109.5° |
| C | CA | HA | 108.9° | 109.5° |
| CA | C | O | 118.9° | 120.0° |
| CA | C | OXT | 117.0° | 120.0° |
| SG | CB | HB2 | 108.1° | 109.5° |
| SG | CB | HB3 | 108.1° | 109.4° |
| CB | SG | OD1 | 106.8° | 110.6° |
| CB | SG | OD2 | 106.8° | 104.5° |
| CB | SG | OD3 | 110.8° | 110.5° |
| HB2 | CB | HB3 | 109.4° | 109.5° |
| OD1 | SG | OD2 | 115.0° | 104.3° |
| OD1 | SG | OD3 | 112.2° | 121.0° |
| OD2 | SG | OD3 | 105.1° | 104.3° |
| SG | OD2 | HD2 | 109.5° | 114.0° |
| O | C | OXT | 124.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | C | 121.8° | 120.0° |
| N | CA | CB | HA | 122.6° | 120.0° |
| N | CA | C | HA | 121.3° | 120.0° |
| N | CA | CB | SG | 46.6° | 60.0° |
| N | CA | CB | HB2 | 74.2° | 60.0° |
| N | CA | CB | HB3 | 167.3° | 180.0° |
| N | CA | C | O | 45.5° | 19.9° |
| N | CA | C | OXT | 137.0° | 160.0° |
| H | N | CA | CB | 180.0° | 176.1° |
| H | N | CA | C | 63.5° | 64.0° |
| H | N | CA | HA | 57.6° | 56.0° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | C | 56.6° | 60.0° |
| H2 | N | CA | HA | 177.6° | 180.0° |
| CB | CA | C | HA | 115.6° | 120.1° |
| CA | CB | SG | HB2 | 120.8° | 120.0° |
| CA | CB | SG | HB3 | 120.8° | 119.9° |
| CA | CB | HB2 | HB3 | 117.6° | 120.0° |
| CA | CB | SG | OD1 | 27.0° | 68.4° |
| CA | CB | SG | OD2 | 96.6° | 180.0° |
| CA | CB | SG | OD3 | 149.5° | 68.3° |
| CB | CA | C | O | 77.5° | 100.0° |
| CB | CA | C | OXT | 99.9° | 80.0° |
| C | CA | CB | SG | 168.4° | 180.0° |
| C | CA | CB | HB2 | 47.6° | 60.0° |
| C | CA | CB | HB3 | 70.8° | 60.1° |
| CA | C | O | OXT | 177.2° | 180.0° |
| CA | C | OXT | HXT | 177.3° | 180.0° |
| HA | CA | CB | SG | 76.1° | 60.0° |
| HA | CA | CB | HB2 | 163.2° | NaN° |
| HA | CA | CB | HB3 | 44.7° | 60.0° |
| HA | CA | C | O | 166.9° | 139.9° |
| HA | CA | C | OXT | 15.7° | 40.0° |
| SG | CB | HB2 | HB3 | 117.6° | 120.0° |
| CB | SG | OD1 | OD2 | 118.4° | 111.7° |
| CB | SG | OD1 | OD3 | 121.6° | 131.5° |
| CB | SG | OD2 | OD3 | 117.8° | 116.1° |
| CB | SG | OD2 | HD2 | 117.7° | 180.0° |
| HB2 | CB | SG | OD1 | 147.8° | 51.7° |
| HB2 | CB | SG | OD2 | 24.2° | 60.0° |
| HB2 | CB | SG | OD3 | 89.7° | 171.6° |
| HB3 | CB | SG | OD1 | 93.8° | 171.7° |
| HB3 | CB | SG | OD2 | 142.6° | 60.0° |
| HB3 | CB | SG | OD3 | 28.7° | 51.6° |
| OD1 | SG | OD2 | OD3 | 123.9° | 127.9° |
| OD1 | SG | OD2 | HD2 | 123.9° | 63.9° |
| OD3 | SG | OD2 | HD2 | 0.0° | 64.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
