CSS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| 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 | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | SG | sing | 1.81Å | 1.82Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| SG | SD | sing | 2.05Å | 2.03Å | |
| SD | HD | sing | 1.34Å | 0.95Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.0° | 106.7° |
| CA | N | H2 | 111.6° | 106.8° |
| N | CA | CB | 111.3° | 109.4° |
| N | CA | C | 111.0° | 109.5° |
| N | CA | HA | 106.8° | 109.5° |
| H | N | H2 | 111.6° | 106.7° |
| CB | CA | C | 108.3° | 109.5° |
| CB | CA | HA | 109.6° | 109.4° |
| CA | CB | SG | 114.3° | 109.5° |
| CA | CB | HB2 | 110.5° | 109.5° |
| CA | CB | HB3 | 110.5° | 109.5° |
| C | CA | HA | 109.8° | 109.5° |
| CA | C | O | 121.0° | 120.0° |
| CA | C | OXT | 115.8° | 120.0° |
| SG | CB | HB2 | 110.5° | 109.4° |
| SG | CB | HB3 | 110.4° | 109.5° |
| CB | SG | SD | 103.5° | 100.0° |
| HB2 | CB | HB3 | 99.8° | 109.5° |
| SG | SD | HD | 103.5° | 100.0° |
| O | C | OXT | 123.2° | 120.0° |
| C | OXT | HXT | 115.8° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 113.9° |
| N | CA | CB | C | 122.3° | 120.0° |
| N | CA | CB | HA | 117.9° | 120.0° |
| N | CA | C | HA | 117.9° | 120.0° |
| N | CA | CB | SG | 73.3° | 178.9° |
| N | CA | CB | HB2 | 52.0° | 61.1° |
| N | CA | CB | HB3 | 161.5° | 58.9° |
| N | CA | C | O | 158.4° | 30.0° |
| N | CA | C | OXT | 24.7° | 150.0° |
| H | N | CA | CB | 59.3° | 54.4° |
| H | N | CA | C | 180.0° | 65.6° |
| H | N | CA | HA | 60.3° | 174.4° |
| H2 | N | CA | CB | 65.9° | 59.4° |
| H2 | N | CA | C | 54.7° | 179.4° |
| H2 | N | CA | HA | 174.5° | 60.5° |
| CB | CA | C | HA | 119.6° | 120.0° |
| CA | CB | SG | HB2 | 125.3° | 120.0° |
| CA | CB | SG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 116.3° | 120.0° |
| CA | CB | SG | SD | 87.4° | 75.0° |
| CB | CA | C | O | 79.2° | 90.0° |
| CB | CA | C | OXT | 97.7° | 90.0° |
| C | CA | CB | SG | 164.5° | 58.9° |
| C | CA | CB | HB2 | 70.2° | 178.8° |
| C | CA | CB | HB3 | 39.2° | 61.2° |
| CA | C | O | OXT | 176.7° | 180.0° |
| CA | C | OXT | HXT | 179.9° | 180.0° |
| HA | CA | CB | SG | 44.7° | 61.2° |
| HA | CA | CB | HB2 | 170.0° | 58.8° |
| HA | CA | CB | HB3 | 80.6° | 178.8° |
| HA | CA | C | O | 40.4° | 150.0° |
| HA | CA | C | OXT | 142.6° | 30.0° |
| SG | CB | HB2 | HB3 | 116.3° | 120.0° |
| CB | SG | SD | HD | 180.0° | 180.0° |
| HB2 | CB | SG | SD | 147.3° | 45.0° |
| HB3 | CB | SG | SD | 37.8° | 165.0° |
| O | C | OXT | HXT | 3.1° | 0.1° |
