ALA
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 | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.11Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 113.6° | 106.8° |
| CA | N | H2 | 110.7° | 106.8° |
| N | CA | C | 113.6° | 109.5° |
| N | CA | CB | 109.9° | 109.5° |
| N | CA | HA | 106.5° | 109.5° |
| H | N | H2 | 110.7° | 106.7° |
| C | CA | CB | 110.0° | 109.4° |
| C | CA | HA | 106.4° | 109.5° |
| CA | C | O | 121.1° | 120.0° |
| CA | C | OXT | 115.5° | 120.0° |
| CB | CA | HA | 110.4° | 109.4° |
| CA | CB | HB1 | 109.9° | 109.5° |
| CA | CB | HB2 | 112.1° | 109.4° |
| CA | CB | HB3 | 112.1° | 109.5° |
| O | C | OXT | 123.4° | 120.0° |
| C | OXT | HXT | 115.6° | 120.0° |
| HB1 | CB | HB2 | 112.0° | 109.5° |
| HB1 | CB | HB3 | 112.1° | 109.4° |
| HB2 | CB | HB3 | 98.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.9° |
| N | CA | C | CB | 123.6° | 120.0° |
| N | CA | C | HA | 116.8° | 120.1° |
| N | CA | CB | HA | 117.1° | 120.0° |
| N | CA | C | O | 22.3° | 29.9° |
| N | CA | C | OXT | 157.8° | 150.0° |
| N | CA | CB | HB1 | 180.0° | 60.0° |
| N | CA | CB | HB2 | 54.8° | 60.0° |
| N | CA | CB | HB3 | 54.7° | 180.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | CB | 56.3° | 60.0° |
| H | N | CA | HA | 63.2° | 180.0° |
| H2 | N | CA | C | 54.8° | 173.8° |
| H2 | N | CA | CB | 68.9° | 53.8° |
| H2 | N | CA | HA | 171.5° | 66.1° |
| C | CA | CB | HA | 117.1° | 120.0° |
| CA | C | O | OXT | 179.9° | 179.9° |
| C | CA | CB | HB1 | 54.2° | 180.0° |
| C | CA | CB | HB2 | 179.4° | 60.0° |
| C | CA | CB | HB3 | 71.1° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| CB | CA | C | O | 101.3° | 90.1° |
| CB | CA | C | OXT | 78.6° | 90.0° |
| CA | CB | HB1 | HB2 | 125.3° | 120.0° |
| CA | CB | HB1 | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 118.0° | 120.1° |
| HA | CA | C | O | 139.1° | 150.0° |
| HA | CA | C | OXT | 40.9° | 29.9° |
| HA | CA | CB | HB1 | 62.9° | 60.0° |
| HA | CA | CB | HB2 | 62.4° | 179.9° |
| HA | CA | CB | HB3 | 171.9° | 60.0° |
| O | C | OXT | HXT | 0.1° | 0.1° |
| HB1 | CB | HB2 | HB3 | 118.0° | 120.0° |
