QCS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.25Å | |
| C | CA | sing | 1.51Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.35Å | |
| CA | N | sing | 1.47Å | 1.31Å | |
| CB | SG | sing | 1.81Å | 1.75Å | |
| OE1 | CD | doub | 1.22Å | 1.22Å | |
| SG | CD | sing | 1.76Å | 1.66Å | |
| CD | NE2 | sing | 1.35Å | 1.29Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| NE2 | H7 | sing | 0.97Å | 1.00Å | |
| NE2 | H8 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 120.0° | 120.0° |
| O | C | CA | 120.1° | 120.0° |
| OXT | C | CA | 119.9° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C | CA | CB | 109.5° | 109.5° |
| C | CA | N | 116.5° | 109.4° |
| C | CA | HA | 104.1° | 109.5° |
| CB | CA | N | 113.8° | 109.5° |
| CA | CB | SG | 120.6° | 109.5° |
| CB | CA | HA | 105.6° | 109.5° |
| CA | CB | H5 | 106.6° | 109.5° |
| CA | CB | H6 | 106.6° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | HA | 106.2° | 109.5° |
| CB | SG | CD | 114.0° | 100.0° |
| SG | CB | H5 | 106.6° | 109.4° |
| SG | CB | H6 | 106.6° | 109.5° |
| OE1 | CD | SG | 121.0° | 120.0° |
| OE1 | CD | NE2 | 120.0° | 120.0° |
| SG | CD | NE2 | 119.0° | 120.0° |
| CD | NE2 | H7 | 120.0° | 120.1° |
| CD | NE2 | H8 | 120.0° | 120.0° |
| H | N | H2 | 109.5° | 110.9° |
| H5 | CB | H6 | 109.5° | 109.4° |
| H7 | NE2 | H8 | 120.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 178.0° | 180.0° |
| O | C | CA | CB | 65.4° | 100.0° |
| O | C | CA | N | 163.6° | 20.0° |
| O | C | CA | HA | 47.1° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | CB | 112.6° | 80.0° |
| OXT | C | CA | N | 18.4° | 160.0° |
| OXT | C | CA | HA | 134.9° | 40.0° |
| C | CA | CB | N | 132.4° | 120.0° |
| C | CA | CB | HA | 111.6° | 120.0° |
| C | CA | N | HA | 115.4° | 120.0° |
| C | CA | CB | SG | 150.2° | 180.0° |
| C | CA | N | H | 180.0° | 60.0° |
| C | CA | N | H2 | 60.0° | 176.0° |
| C | CA | CB | H5 | 88.2° | 60.0° |
| C | CA | CB | H6 | 28.7° | 60.0° |
| CA | C | OXT | HXT | 178.0° | 179.9° |
| CB | CA | N | HA | 115.7° | 120.0° |
| CA | CB | SG | H5 | 121.6° | 120.0° |
| CA | CB | SG | H6 | 121.5° | 120.0° |
| CA | CB | SG | CD | 164.9° | 180.0° |
| CB | CA | N | H | 51.1° | 60.0° |
| CB | CA | N | H2 | 171.2° | 64.0° |
| CA | CB | H5 | H6 | 115.0° | 120.0° |
| N | CA | CB | SG | 77.4° | 60.0° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 44.2° | 60.0° |
| N | CA | CB | H6 | 161.1° | 180.0° |
| CB | SG | CD | OE1 | 25.8° | 0.0° |
| CB | SG | CD | NE2 | 153.2° | 180.0° |
| SG | CB | CA | HA | 38.7° | 60.0° |
| SG | CB | H5 | H6 | 115.0° | 120.0° |
| OE1 | CD | SG | NE2 | 179.1° | 179.9° |
| OE1 | CD | NE2 | H7 | 0.0° | 180.0° |
| OE1 | CD | NE2 | H8 | 180.0° | 0.1° |
| CD | SG | CB | H5 | 73.6° | 60.0° |
| CD | SG | CB | H6 | 43.3° | 59.9° |
| SG | CD | NE2 | H7 | 179.1° | 0.1° |
| SG | CD | NE2 | H8 | 0.9° | 180.0° |
| CD | NE2 | H7 | H8 | 180.0° | 179.9° |
| H | N | CA | HA | 64.6° | 180.0° |
| H2 | N | CA | HA | 55.4° | 56.1° |
| HA | CA | CB | H5 | 160.3° | 180.0° |
| HA | CA | CB | H6 | 82.8° | 60.1° |
