MHO
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 | CB | sing | 1.53Å | 1.53Å | |
| CA | C | sing | 1.51Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.12Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| CG | SD | sing | 1.81Å | 1.86Å | |
| CG | HG2 | sing | 1.09Å | 1.11Å | |
| CG | HG3 | sing | 1.09Å | 1.12Å | |
| SD | CE | sing | 1.81Å | 1.78Å | |
| SD | OD1 | doub | 1.42Å | 1.67Å | |
| CE | HE1 | sing | 1.09Å | 1.11Å | |
| CE | HE2 | sing | 1.09Å | 1.11Å | |
| CE | HE3 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 111.1° | 111.0° |
| CA | N | H2 | 111.5° | 111.0° |
| N | CA | CB | 111.2° | 109.5° |
| N | CA | C | 112.5° | 109.4° |
| N | CA | HA | 106.8° | 109.5° |
| H | N | H2 | 111.6° | 111.0° |
| CB | CA | C | 111.1° | 109.5° |
| CB | CA | HA | 108.2° | 109.5° |
| CA | CB | CG | 129.1° | 109.5° |
| CA | CB | HB2 | 105.4° | 109.5° |
| CA | CB | HB3 | 105.4° | 109.5° |
| C | CA | HA | 106.8° | 109.4° |
| CA | C | O | 121.3° | 120.0° |
| CA | C | OXT | 117.2° | 119.9° |
| CG | CB | HB2 | 105.4° | 109.5° |
| CG | CB | HB3 | 105.4° | 109.5° |
| CB | CG | SD | 106.4° | 109.5° |
| CB | CG | HG2 | 113.4° | 109.5° |
| CB | CG | HG3 | 113.3° | 109.4° |
| HB2 | CB | HB3 | 103.9° | 109.4° |
| SD | CG | HG2 | 113.4° | 109.5° |
| SD | CG | HG3 | 113.3° | 109.5° |
| CG | SD | CE | 110.3° | 103.0° |
| CG | SD | OD1 | 82.7° | 109.5° |
| HG2 | CG | HG3 | 97.1° | 109.5° |
| CE | SD | OD1 | 137.1° | 109.5° |
| SD | CE | HE1 | 110.3° | 109.5° |
| SD | CE | HE2 | 111.9° | 109.5° |
| SD | CE | HE3 | 111.9° | 109.5° |
| HE1 | CE | HE2 | 111.9° | 109.5° |
| HE1 | CE | HE3 | 111.9° | 109.4° |
| HE2 | CE | HE3 | 98.4° | 109.4° |
| O | C | OXT | 121.5° | 120.0° |
| C | OXT | HXT | 117.1° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 125.2° | 123.9° |
| N | CA | CB | C | 126.0° | 120.0° |
| N | CA | CB | HA | 117.0° | 120.0° |
| N | CA | C | HA | 116.8° | 120.0° |
| N | CA | CB | CG | 86.8° | 65.0° |
| N | CA | CB | HB2 | 148.0° | 55.0° |
| N | CA | CB | HB3 | 38.6° | 174.9° |
| N | CA | C | O | 149.9° | 20.0° |
| N | CA | C | OXT | 30.3° | 160.0° |
| H | N | CA | CB | 180.0° | 60.0° |
| H | N | CA | C | 54.7° | 60.0° |
| H | N | CA | HA | 62.1° | 180.0° |
| H2 | N | CA | CB | 54.8° | 64.0° |
| H2 | N | CA | C | 180.0° | 176.0° |
| H2 | N | CA | HA | 63.1° | 56.1° |
| CB | CA | C | HA | 117.8° | 120.0° |
| CA | CB | CG | HB2 | 125.2° | 120.0° |
| CA | CB | CG | HB3 | 125.3° | 120.0° |
| CA | CB | HB2 | HB3 | 110.5° | 120.0° |
| CA | CB | CG | SD | 172.8° | 180.0° |
| CA | CB | CG | HG2 | 62.0° | 60.0° |
| CA | CB | CG | HG3 | 47.5° | 60.0° |
| CB | CA | C | O | 84.8° | 100.0° |
| CB | CA | C | OXT | 95.0° | 80.0° |
| C | CA | CB | CG | 39.3° | 175.0° |
| C | CA | CB | HB2 | 85.9° | 65.0° |
| C | CA | CB | HB3 | 164.6° | 55.0° |
| CA | C | O | OXT | 179.8° | 180.0° |
| CA | C | OXT | HXT | 180.0° | 180.0° |
| HA | CA | CB | CG | 156.2° | 55.0° |
| HA | CA | CB | HB2 | 31.0° | 175.0° |
| HA | CA | CB | HB3 | 78.4° | 65.0° |
| HA | CA | C | O | 33.1° | 140.0° |
| HA | CA | C | OXT | 147.1° | 40.0° |
| CG | CB | HB2 | HB3 | 110.6° | 120.0° |
| CB | CG | SD | HG2 | 125.3° | 120.0° |
| CB | CG | SD | HG3 | 125.3° | 120.0° |
| CB | CG | HG2 | HG3 | 119.3° | 120.0° |
| CB | CG | SD | CE | 59.9° | 180.0° |
| CB | CG | SD | OD1 | 162.4° | 63.6° |
| HB2 | CB | CG | SD | 47.5° | 60.0° |
| HB2 | CB | CG | HG2 | 172.8° | 180.0° |
| HB2 | CB | CG | HG3 | 77.7° | 60.0° |
| HB3 | CB | CG | SD | 61.9° | 60.0° |
| HB3 | CB | CG | HG2 | 63.3° | 60.0° |
| HB3 | CB | CG | HG3 | 172.8° | 180.0° |
| SD | CG | HG2 | HG3 | 119.3° | 120.1° |
| CG | SD | CE | OD1 | 101.5° | 116.4° |
| CG | SD | CE | HE1 | 180.0° | 60.0° |
| CG | SD | CE | HE2 | 54.7° | 180.0° |
| CG | SD | CE | HE3 | 54.7° | 60.0° |
| HG2 | CG | SD | CE | 174.9° | 60.0° |
| HG2 | CG | SD | OD1 | 37.1° | 56.4° |
| HG3 | CG | SD | CE | 65.4° | 60.0° |
| HG3 | CG | SD | OD1 | 72.3° | 176.4° |
| SD | CE | HE1 | HE2 | 125.3° | 120.0° |
| SD | CE | HE1 | HE3 | 125.3° | 120.0° |
| SD | CE | HE2 | HE3 | 117.8° | 120.0° |
| OD1 | SD | CE | HE1 | 78.5° | 176.4° |
| OD1 | SD | CE | HE2 | 46.8° | 63.6° |
| OD1 | SD | CE | HE3 | 156.2° | 56.4° |
| HE1 | CE | HE2 | HE3 | 117.8° | 119.9° |
| O | C | OXT | HXT | 0.2° | 0.0° |
