CYW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | CA | sing | 1.51Å | 1.47Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.53Å | 1.53Å | |
| CB | SG | sing | 1.81Å | 1.74Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| SG | C1 | sing | 1.71Å | 1.59Å | |
| C1 | O1 | doub | 1.21Å | 1.21Å | |
| C2 | C1 | sing | 1.51Å | 1.45Å | |
| C2 | H20 | sing | 1.09Å | 1.10Å | |
| O2 | C2 | sing | 1.43Å | 1.44Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C3 | H3B | 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) |
| CA | C | O | 120.0° | 120.0° |
| CA | C | OXT | 120.0° | 120.0° |
| C | CA | N | 114.6° | 109.5° |
| C | CA | HA | 107.5° | 109.5° |
| C | CA | CB | 110.1° | 109.5° |
| O | C | OXT | 120.1° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.4° | 111.0° |
| H | N | CA | 109.5° | 110.9° |
| H2 | N | CA | 109.5° | 110.9° |
| N | CA | HA | 101.9° | 109.5° |
| N | CA | CB | 114.7° | 109.5° |
| HA | CA | CB | 107.2° | 109.5° |
| CA | CB | SG | 116.6° | 109.5° |
| CA | CB | HB | 107.1° | 109.5° |
| CA | CB | HBA | 107.1° | 109.5° |
| SG | CB | HB | 107.1° | 109.4° |
| SG | CB | HBA | 107.2° | 109.5° |
| CB | SG | C1 | 96.3° | 100.0° |
| HB | CB | HBA | 111.7° | 109.5° |
| SG | C1 | O1 | 119.4° | 120.0° |
| SG | C1 | C2 | 119.8° | 120.0° |
| O1 | C1 | C2 | 118.7° | 120.0° |
| C1 | C2 | H20 | 107.9° | 109.5° |
| C1 | C2 | O2 | 110.9° | 109.5° |
| C1 | C2 | C3 | 110.0° | 109.5° |
| H20 | C2 | O2 | 109.1° | 109.5° |
| H20 | C2 | C3 | 110.1° | 109.5° |
| C2 | O2 | HO2 | 109.5° | 113.9° |
| O2 | C2 | C3 | 108.8° | 109.5° |
| C2 | C3 | H3 | 109.5° | 109.4° |
| C2 | C3 | H3A | 109.4° | 109.5° |
| C2 | C3 | H3B | 109.5° | 109.4° |
| H3 | C3 | H3A | 109.5° | 109.5° |
| H3 | C3 | H3B | 109.4° | 109.5° |
| H3A | C3 | H3B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | C | O | OXT | 180.0° | 179.6° |
| C | CA | N | H | 180.0° | 60.1° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | N | HA | 115.7° | 120.0° |
| C | CA | N | CB | 128.8° | 120.0° |
| C | CA | HA | CB | 118.4° | 120.0° |
| C | CA | CB | SG | 85.8° | 180.0° |
| C | CA | CB | HB | 34.2° | 60.0° |
| C | CA | CB | HBA | 154.2° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| O | C | CA | N | 25.6° | 20.1° |
| O | C | CA | HA | 138.0° | 140.0° |
| O | C | CA | CB | 105.5° | 100.0° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| OXT | C | CA | N | 154.4° | 160.3° |
| OXT | C | CA | HA | 42.0° | 40.3° |
| OXT | C | CA | CB | 74.5° | 79.7° |
| H | N | H2 | CA | 120.0° | 123.9° |
| H | N | CA | HA | 64.3° | 180.0° |
| H | N | CA | CB | 51.2° | 60.0° |
| H2 | N | CA | HA | 55.7° | 56.0° |
| H2 | N | CA | CB | 171.2° | 63.9° |
| N | CA | HA | CB | 120.9° | 120.0° |
| N | CA | CB | SG | 45.2° | 60.0° |
| N | CA | CB | HB | 165.2° | 60.0° |
| N | CA | CB | HBA | 74.8° | 180.0° |
| HA | CA | CB | SG | 157.6° | 60.0° |
| HA | CA | CB | HB | 82.4° | 180.0° |
| HA | CA | CB | HBA | 37.6° | 60.0° |
| CA | CB | SG | HB | 120.0° | 120.0° |
| CA | CB | SG | HBA | 120.0° | 120.0° |
| CA | CB | HB | HBA | 117.0° | 120.0° |
| CA | CB | SG | C1 | 97.6° | 180.0° |
| SG | CB | HB | HBA | 117.1° | 120.0° |
| CB | SG | C1 | O1 | 107.8° | 0.0° |
| CB | SG | C1 | C2 | 55.5° | 180.0° |
| HB | CB | SG | C1 | 142.4° | 60.0° |
| HBA | CB | SG | C1 | 22.4° | 60.0° |
| SG | C1 | O1 | C2 | 163.5° | 180.0° |
| SG | C1 | C2 | H20 | 162.1° | 55.0° |
| SG | C1 | C2 | O2 | 78.4° | 175.0° |
| SG | C1 | C2 | C3 | 41.9° | 65.0° |
| O1 | C1 | C2 | H20 | 34.5° | 125.0° |
| O1 | C1 | C2 | O2 | 85.0° | 5.0° |
| O1 | C1 | C2 | C3 | 154.6° | 115.0° |
| C1 | C2 | H20 | O2 | 120.6° | 120.0° |
| C1 | C2 | H20 | C3 | 120.1° | 120.0° |
| C1 | C2 | O2 | C3 | 121.1° | 120.0° |
| C1 | C2 | O2 | HO2 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3 | 180.0° | 60.0° |
| C1 | C2 | C3 | H3A | 60.0° | 179.9° |
| C1 | C2 | C3 | H3B | 60.0° | 60.0° |
| H20 | C2 | O2 | C3 | 120.2° | 120.0° |
| H20 | C2 | O2 | HO2 | 61.2° | 180.0° |
| H20 | C2 | C3 | H3 | 61.2° | 180.0° |
| H20 | C2 | C3 | H3A | 58.8° | 60.0° |
| H20 | C2 | C3 | H3B | 178.8° | 60.0° |
| O2 | C2 | C3 | H3 | 58.3° | 60.0° |
| O2 | C2 | C3 | H3A | 178.4° | 60.0° |
| O2 | C2 | C3 | H3B | 61.6° | 180.0° |
| HO2 | O2 | C2 | C3 | 58.9° | 60.0° |
| C2 | C3 | H3 | H3A | 120.0° | 120.0° |
| C2 | C3 | H3 | H3B | 120.0° | 120.0° |
| C2 | C3 | H3A | H3B | 120.0° | 119.9° |
| H3 | C3 | H3A | H3B | 120.0° | 120.1° |
