ALT
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 1.01Å | 0.98Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| C | S | doub | 1.60Å | 1.65Å | |
| C | OXT | sing | 1.35Å | 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 | 113.9° | 106.7° |
| CA | N | H2 | 111.9° | 106.7° |
| N | CA | CB | 110.2° | 109.5° |
| N | CA | C | 104.5° | 109.4° |
| N | CA | HA | 112.6° | 109.4° |
| H | N | H2 | 83.7° | 106.7° |
| CB | CA | C | 110.6° | 109.5° |
| CB | CA | HA | 106.7° | 109.5° |
| CA | CB | HB1 | 110.2° | 109.5° |
| CA | CB | HB2 | 112.0° | 109.4° |
| CA | CB | HB3 | 112.0° | 109.4° |
| C | CA | HA | 112.2° | 109.5° |
| CA | C | S | 111.6° | 120.0° |
| CA | C | OXT | 119.0° | 120.0° |
| HB1 | CB | HB2 | 111.9° | 109.5° |
| HB1 | CB | HB3 | 111.9° | 109.5° |
| HB2 | CB | HB3 | 98.5° | 109.5° |
| S | C | OXT | 128.6° | 120.0° |
| C | OXT | HXT | 119.0° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 111.3° | 113.8° |
| N | CA | CB | C | 115.1° | 120.0° |
| N | CA | CB | HA | 122.6° | 119.9° |
| N | CA | C | HA | 122.3° | 120.0° |
| N | CA | CB | HB1 | 180.0° | 59.9° |
| N | CA | CB | HB2 | 54.8° | 60.1° |
| N | CA | CB | HB3 | 54.7° | 180.0° |
| N | CA | C | S | 33.6° | 0.0° |
| N | CA | C | OXT | 137.0° | 180.0° |
| H | N | CA | CB | 38.2° | 53.7° |
| H | N | CA | C | 80.7° | 173.7° |
| H | N | CA | HA | 157.2° | 66.2° |
| H2 | N | CA | CB | 54.7° | 60.1° |
| H2 | N | CA | C | 173.6° | 59.9° |
| H2 | N | CA | HA | 64.3° | 179.9° |
| CB | CA | C | HA | 119.1° | 120.0° |
| CA | CB | HB1 | HB2 | 125.2° | 120.0° |
| CA | CB | HB1 | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 117.9° | 119.9° |
| CB | CA | C | S | 84.9° | 120.0° |
| CB | CA | C | OXT | 104.5° | 60.0° |
| C | CA | CB | HB1 | 65.0° | 179.9° |
| C | CA | CB | HB2 | 169.8° | 59.9° |
| C | CA | CB | HB3 | 60.3° | 60.0° |
| CA | C | S | OXT | 169.5° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | HB1 | 57.4° | 60.0° |
| HA | CA | CB | HB2 | 67.8° | 180.0° |
| HA | CA | CB | HB3 | 177.3° | 60.1° |
| HA | CA | C | S | 156.0° | 119.9° |
| HA | CA | C | OXT | 14.6° | 60.0° |
| HB1 | CB | HB2 | HB3 | 117.8° | 120.1° |
| S | C | OXT | HXT | 11.2° | 0.0° |
