HMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | HN1 | sing | 1.01Å | 1.02Å | |
| N | HN2A | sing | 1.01Å | 1.02Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | HA | sing | 1.09Å | 1.11Å | |
| CB | HB1 | sing | 1.09Å | 1.11Å | |
| CB | HB2 | sing | 1.09Å | 1.12Å | |
| CB | HB3 | sing | 1.09Å | 1.12Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C | N2 | sing | 1.35Å | 1.33Å | |
| N2 | OH | sing | 1.42Å | 1.40Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| OH | HO | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | HN1 | 110.5° | 106.7° |
| CA | N | HN2A | 111.9° | 106.7° |
| N | CA | CB | 110.4° | 109.5° |
| N | CA | C | 108.2° | 109.5° |
| N | CA | HA | 110.5° | 109.5° |
| HN1 | N | HN2A | 111.8° | 106.7° |
| CB | CA | C | 111.7° | 109.4° |
| CB | CA | HA | 106.9° | 109.4° |
| CA | CB | HB1 | 110.4° | 109.5° |
| CA | CB | HB2 | 111.8° | 109.4° |
| CA | CB | HB3 | 111.8° | 109.5° |
| C | CA | HA | 109.1° | 109.4° |
| CA | C | O | 124.8° | 120.0° |
| CA | C | N2 | 115.1° | 120.0° |
| HB1 | CB | HB2 | 111.9° | 109.5° |
| HB1 | CB | HB3 | 111.9° | 109.5° |
| HB2 | CB | HB3 | 98.5° | 109.5° |
| O | C | N2 | 120.0° | 120.0° |
| C | N2 | OH | 114.3° | 120.0° |
| C | N2 | HN2 | 120.7° | 120.0° |
| OH | N2 | HN2 | 125.0° | 120.0° |
| N2 | OH | HO | 114.3° | 106.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | HN1 | HN2A | 125.3° | 113.8° |
| N | CA | CB | C | 120.4° | 120.1° |
| N | CA | CB | HA | 120.2° | 120.0° |
| N | CA | C | HA | 120.3° | 120.0° |
| N | CA | CB | HB1 | 180.0° | 60.0° |
| N | CA | CB | HB2 | 54.7° | 60.0° |
| N | CA | CB | HB3 | 54.7° | 180.0° |
| N | CA | C | O | 59.9° | 29.9° |
| N | CA | C | N2 | 117.9° | 149.9° |
| HN1 | N | CA | CB | 180.0° | 53.8° |
| HN1 | N | CA | C | 57.4° | 173.8° |
| HN1 | N | CA | HA | 62.0° | 66.2° |
| HN2A | N | CA | CB | 54.7° | 60.0° |
| HN2A | N | CA | C | 177.3° | 60.0° |
| HN2A | N | CA | HA | 63.3° | 180.0° |
| CB | CA | C | HA | 118.0° | 119.9° |
| CA | CB | HB1 | HB2 | 125.3° | 119.9° |
| CA | CB | HB1 | HB3 | 125.2° | 120.0° |
| CA | CB | HB2 | HB3 | 117.7° | 120.0° |
| CB | CA | C | O | 61.8° | 90.1° |
| CB | CA | C | N2 | 120.3° | 90.0° |
| C | CA | CB | HB1 | 59.6° | 180.0° |
| C | CA | CB | HB2 | 175.1° | 60.1° |
| C | CA | CB | HB3 | 65.7° | 60.0° |
| CA | C | O | N2 | 177.8° | 179.9° |
| CA | C | N2 | OH | 179.6° | 180.0° |
| CA | C | N2 | HN2 | 0.4° | 0.1° |
| HA | CA | CB | HB1 | 59.8° | 60.0° |
| HA | CA | CB | HB2 | 65.5° | 180.0° |
| HA | CA | CB | HB3 | 175.0° | 60.0° |
| HA | CA | C | O | 179.8° | 150.0° |
| HA | CA | C | N2 | 2.3° | 29.9° |
| HB1 | CB | HB2 | HB3 | 117.8° | 120.0° |
| O | C | N2 | OH | 1.6° | 0.1° |
| O | C | N2 | HN2 | 178.4° | 180.0° |
| C | N2 | OH | HN2 | 180.0° | 179.9° |
| C | N2 | OH | HO | 180.0° | 180.0° |
| HN2 | N2 | OH | HO | 0.0° | 0.1° |
