ALS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C | doub | 1.21Å | 1.23Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| OG | CB | sing | 1.43Å | 1.42Å | |
| CA | CB | sing | 1.53Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.46Å | |
| CB | OS1 | sing | 1.43Å | 1.42Å | |
| OS1 | S | sing | 1.52Å | 1.49Å | |
| OS3 | S | doub | 1.42Å | 1.48Å | |
| OS2 | S | doub | 1.42Å | 1.47Å | |
| S | OS4 | sing | 1.52Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.34Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| OG | HG | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| OS4 | HOS4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.8° | 120.0° |
| O | C | OXT | 122.7° | 120.0° |
| C | CA | CB | 109.1° | 109.5° |
| C | CA | N | 117.3° | 109.5° |
| CA | C | OXT | 117.4° | 120.0° |
| C | CA | HA | 106.3° | 109.5° |
| OG | CB | CA | 109.7° | 109.5° |
| OG | CB | OS1 | 108.8° | 109.4° |
| OG | CB | HB | 109.3° | 109.5° |
| CB | OG | HG | 109.5° | 114.0° |
| CB | CA | N | 110.3° | 109.5° |
| CA | CB | OS1 | 112.0° | 109.5° |
| CB | CA | HA | 106.1° | 109.4° |
| CA | CB | HB | 107.8° | 109.5° |
| N | CA | HA | 107.0° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| CB | OS1 | S | 119.3° | 114.0° |
| OS1 | CB | HB | 109.2° | 109.5° |
| OS1 | S | OS3 | 111.5° | 106.4° |
| OS1 | S | OS2 | 110.3° | 106.4° |
| OS1 | S | OS4 | 107.5° | 107.2° |
| OS3 | S | OS2 | 111.1° | 123.1° |
| OS3 | S | OS4 | 108.7° | 106.4° |
| OS2 | S | OS4 | 107.6° | 106.4° |
| S | OS4 | HOS4 | 109.5° | 114.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H2 | N | H | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 176.9° | 179.7° |
| O | C | CA | CB | 128.2° | 99.8° |
| O | C | CA | N | 105.4° | 20.3° |
| O | C | CA | HA | 14.1° | 140.3° |
| O | C | OXT | HXT | 0.0° | 0.3° |
| C | CA | CB | OG | 48.8° | 65.0° |
| C | CA | CB | N | 130.3° | 120.0° |
| C | CA | CB | HA | 114.1° | 120.0° |
| C | CA | N | HA | 119.2° | 120.1° |
| C | CA | CB | OS1 | 169.7° | 175.0° |
| C | CA | N | H2 | 180.0° | 60.0° |
| C | CA | N | H | 60.0° | 176.1° |
| C | CA | CB | HB | 70.2° | 55.0° |
| CA | C | OXT | HXT | 176.8° | 180.0° |
| OG | CB | CA | OS1 | 120.9° | 120.0° |
| OG | CB | CA | HB | 119.0° | 120.0° |
| OG | CB | CA | N | 179.1° | 175.0° |
| OG | CB | OS1 | HB | 119.3° | 120.0° |
| OG | CB | OS1 | S | 128.3° | 90.0° |
| OG | CB | CA | HA | 65.4° | 55.0° |
| CB | CA | N | HA | 115.0° | 119.9° |
| CA | CB | OS1 | HB | 119.3° | 120.0° |
| CA | CB | OS1 | S | 110.2° | 150.0° |
| CB | CA | C | OXT | 48.7° | 80.0° |
| CB | CA | N | H2 | 54.2° | 60.0° |
| CB | CA | N | H | 174.2° | 63.9° |
| CA | CB | OG | HG | 180.0° | 60.0° |
| N | CA | CB | OS1 | 60.1° | 55.0° |
| N | CA | C | OXT | 77.7° | 160.0° |
| CA | N | H2 | H | 120.0° | 123.9° |
| N | CA | CB | HB | 60.1° | 65.0° |
| CB | OS1 | S | OS3 | 70.2° | 38.5° |
| CB | OS1 | S | OS2 | 53.7° | 171.5° |
| CB | OS1 | S | OS4 | 170.7° | 75.0° |
| OS1 | CB | CA | HA | 55.5° | 65.0° |
| OS1 | CB | OG | HG | 57.2° | 60.0° |
| OS1 | S | OS3 | OS2 | 123.5° | 123.0° |
| OS1 | S | OS3 | OS4 | 118.3° | 114.1° |
| OS1 | S | OS2 | OS4 | 116.9° | 114.1° |
| S | OS1 | CB | HB | 9.1° | 30.0° |
| OS1 | S | OS4 | HOS4 | 118.8° | 180.0° |
| OS3 | S | OS2 | OS4 | 118.9° | 122.9° |
| OS3 | S | OS4 | HOS4 | 120.4° | 66.4° |
| OS2 | S | OS4 | HOS4 | 0.0° | 66.4° |
| OXT | C | CA | HA | 162.8° | 39.9° |
| HA | CA | N | H2 | 60.8° | 180.0° |
| HA | CA | N | H | 59.2° | 56.0° |
| HA | CA | CB | HB | 175.7° | 175.0° |
| HB | CB | OG | HG | 62.0° | 180.0° |
