AKK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CA | HA1 | sing | 1.09Å | 1.10Å | |
| CA | HA2 | sing | 1.09Å | 1.10Å | |
| CA | HA3 | sing | 1.09Å | 1.10Å | |
| CB | CA | sing | 1.51Å | 1.49Å | |
| CC | CB | doub | 1.32Å | 1.35Å | |
| ND | CC | sing | 1.39Å | 1.39Å | |
| ND | HND1 | sing | 0.97Å | 1.00Å | |
| CB | HB1 | sing | 1.08Å | 1.08Å | |
| CC | HC1 | sing | 1.08Å | 1.08Å | |
| ND | HND2 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| HA1 | CA | HA2 | 109.4° | 109.5° |
| HA1 | CA | HA3 | 109.5° | 109.5° |
| HA1 | CA | CB | 109.5° | 109.4° |
| HA2 | CA | HA3 | 109.5° | 109.5° |
| HA2 | CA | CB | 109.5° | 109.5° |
| HA3 | CA | CB | 109.5° | 109.5° |
| CA | CB | CC | 123.0° | 120.0° |
| CA | CB | HB1 | 118.5° | 120.1° |
| CB | CC | ND | 128.7° | 119.9° |
| CC | CB | HB1 | 118.5° | 119.9° |
| CB | CC | HC1 | 115.7° | 120.1° |
| CC | ND | HND1 | 109.5° | 120.0° |
| ND | CC | HC1 | 115.7° | 120.0° |
| CC | ND | HND2 | 109.5° | 120.0° |
| HND1 | ND | HND2 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| HA1 | CA | HA2 | HA3 | 120.0° | 120.0° |
| HA1 | CA | HA2 | CB | 120.0° | 120.0° |
| HA1 | CA | HA3 | CB | 120.1° | 120.0° |
| HA1 | CA | CB | CC | 180.0° | 180.0° |
| HA1 | CA | CB | HB1 | 0.0° | 0.0° |
| HA2 | CA | HA3 | CB | 120.0° | 120.0° |
| HA2 | CA | CB | CC | 60.0° | 60.0° |
| HA2 | CA | CB | HB1 | 120.0° | 120.0° |
| HA3 | CA | CB | CC | 60.0° | 60.0° |
| HA3 | CA | CB | HB1 | 120.0° | 120.0° |
| CA | CB | CC | HB1 | 180.0° | 180.0° |
| CA | CB | CC | ND | 0.8° | 0.0° |
| CA | CB | CC | HC1 | 179.3° | 180.0° |
| CB | CC | ND | HC1 | 180.0° | 180.0° |
| CB | CC | ND | HND1 | 180.0° | 180.0° |
| CB | CC | ND | HND2 | 60.0° | 0.0° |
| CC | ND | HND1 | HND2 | 120.0° | 180.0° |
| ND | CC | CB | HB1 | 179.2° | 180.0° |
| HND1 | ND | CC | HC1 | 0.0° | 0.0° |
| HB1 | CB | CC | HC1 | 0.7° | 0.0° |
| HC1 | CC | ND | HND2 | 120.0° | 180.0° |






