HSE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.50Å | |
| N | H | sing | 1.01Å | 1.02Å | |
| N | H2 | sing | 1.01Å | 1.02Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | C3 | sing | 1.53Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| C | O | doub | 1.21Å | 1.26Å | |
| C | OXT | sing | 1.34Å | 1.26Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| C3 | H32 | sing | 1.09Å | 1.11Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C4 | O3 | sing | 1.43Å | 1.43Å | |
| C4 | H41 | sing | 1.09Å | 1.11Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 106.3° | 106.7° |
| CA | N | H2 | 113.4° | 106.7° |
| N | CA | C | 106.3° | 109.5° |
| N | CA | C3 | 106.4° | 109.5° |
| N | CA | HA | 115.9° | 109.5° |
| H | N | H2 | 113.4° | 106.7° |
| C | CA | C3 | 116.0° | 109.5° |
| C | CA | HA | 106.4° | 109.4° |
| CA | C | O | 119.8° | 120.0° |
| CA | C | OXT | 113.5° | 120.1° |
| C3 | CA | HA | 106.3° | 109.5° |
| CA | C3 | C4 | 114.2° | 109.5° |
| CA | C3 | H31 | 110.4° | 109.5° |
| CA | C3 | H32 | 110.4° | 109.4° |
| O | C | OXT | 126.7° | 119.9° |
| C | OXT | HXT | 113.5° | 120.0° |
| C4 | C3 | H31 | 110.5° | 109.5° |
| C4 | C3 | H32 | 110.5° | 109.4° |
| C3 | C4 | O3 | 112.8° | 109.5° |
| C3 | C4 | H41 | 111.0° | 109.5° |
| C3 | C4 | H42 | 111.0° | 109.4° |
| H31 | C3 | H32 | 99.8° | 109.5° |
| O3 | C4 | H41 | 111.0° | 109.5° |
| O3 | C4 | H42 | 111.0° | 109.5° |
| C4 | O3 | HO3 | 112.8° | 106.8° |
| H41 | C4 | H42 | 99.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.3° | 113.8° |
| N | CA | C | C3 | 118.0° | 120.0° |
| N | CA | C | HA | 124.1° | 120.0° |
| N | CA | C3 | HA | 124.1° | 120.0° |
| N | CA | C | O | 179.5° | 30.0° |
| N | CA | C | OXT | 0.2° | 150.0° |
| N | CA | C3 | C4 | 179.6° | 60.0° |
| N | CA | C3 | H31 | 54.3° | 60.0° |
| N | CA | C3 | H32 | 55.1° | 180.0° |
| H | N | CA | C | 180.0° | 173.8° |
| H | N | CA | C3 | 55.9° | 53.8° |
| H | N | CA | HA | 62.0° | 66.2° |
| H2 | N | CA | C | 54.7° | 60.1° |
| H2 | N | CA | C3 | 69.4° | 60.0° |
| H2 | N | CA | HA | 172.7° | 180.0° |
| C | CA | C3 | HA | 118.0° | 120.0° |
| CA | C | O | OXT | 179.7° | 180.0° |
| C | CA | C3 | C4 | 62.5° | 180.0° |
| C | CA | C3 | H31 | 172.3° | 60.0° |
| C | CA | C3 | H32 | 62.9° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| C3 | CA | C | O | 62.5° | 90.0° |
| C3 | CA | C | OXT | 117.8° | 90.0° |
| CA | C3 | C4 | H31 | 125.2° | 120.0° |
| CA | C3 | C4 | H32 | 125.3° | 120.0° |
| CA | C3 | H31 | H32 | 116.3° | 120.0° |
| CA | C3 | C4 | O3 | 180.0° | 180.0° |
| CA | C3 | C4 | H41 | 54.7° | 59.9° |
| CA | C3 | C4 | H42 | 54.8° | 60.0° |
| HA | CA | C | O | 55.4° | 150.0° |
| HA | CA | C | OXT | 124.3° | 30.0° |
| HA | CA | C3 | C4 | 55.5° | 60.0° |
| HA | CA | C3 | H31 | 69.7° | 180.0° |
| HA | CA | C3 | H32 | 179.2° | 60.0° |
| O | C | OXT | HXT | 0.3° | 0.0° |
| C4 | C3 | H31 | H32 | 116.4° | 120.0° |
| C3 | C4 | O3 | H41 | 125.3° | 120.1° |
| C3 | C4 | O3 | H42 | 125.2° | 119.9° |
| C3 | C4 | H41 | H42 | 116.8° | 119.9° |
| C3 | C4 | O3 | HO3 | 180.0° | 180.0° |
| H31 | C3 | C4 | O3 | 54.8° | 60.0° |
| H31 | C3 | C4 | H41 | 179.9° | 180.0° |
| H31 | C3 | C4 | H42 | 70.5° | 60.0° |
| H32 | C3 | C4 | O3 | 54.7° | 60.0° |
| H32 | C3 | C4 | H41 | 70.6° | 60.0° |
| H32 | C3 | C4 | H42 | 180.0° | 180.0° |
| O3 | C4 | H41 | H42 | 116.9° | 120.0° |
| H41 | C4 | O3 | HO3 | 54.8° | 60.0° |
| H42 | C4 | O3 | HO3 | 54.7° | 60.0° |
