2HE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| P | O3 | sing | 1.61Å | 1.51Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| O1 | P | doub | 1.48Å | 1.52Å | |
| O2 | P | sing | 1.61Å | 1.54Å | |
| P | CA | sing | 1.82Å | 1.82Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| CA | CB | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CA | HAA | sing | 1.09Å | 1.10Å | |
| O4 | CB | sing | 1.43Å | 1.43Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | HBA | sing | 1.09Å | 1.10Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| P | O3 | HO3 | 109.5° | 114.0° |
| O3 | P | O1 | 112.5° | 109.5° |
| O3 | P | O2 | 111.1° | 109.5° |
| O3 | P | CA | 104.6° | 109.4° |
| O1 | P | O2 | 117.4° | 109.5° |
| O1 | P | CA | 102.9° | 109.5° |
| O2 | P | CA | 107.0° | 109.5° |
| P | O2 | HO2 | 109.5° | 114.0° |
| P | CA | CB | 111.5° | 109.4° |
| P | CA | HA | 108.8° | 109.5° |
| P | CA | HAA | 108.3° | 109.5° |
| CB | CA | HA | 108.8° | 109.5° |
| CB | CA | HAA | 108.3° | 109.4° |
| CA | CB | O4 | 110.7° | 109.5° |
| CA | CB | HB | 109.1° | 109.5° |
| CA | CB | HBA | 108.8° | 109.5° |
| HA | CA | HAA | 111.1° | 109.5° |
| O4 | CB | HB | 109.1° | 109.5° |
| O4 | CB | HBA | 108.8° | 109.4° |
| CB | O4 | HO4 | 109.5° | 114.0° |
| HB | CB | HBA | 110.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | P | O1 | O2 | 130.8° | 120.0° |
| O3 | P | O1 | CA | 112.1° | 120.0° |
| O3 | P | O2 | CA | 113.7° | 120.0° |
| O3 | P | O2 | HO2 | 141.6° | 60.0° |
| O3 | P | CA | CB | 65.1° | 175.0° |
| O3 | P | CA | HA | 54.9° | 65.0° |
| O3 | P | CA | HAA | 175.8° | 55.1° |
| HO3 | O3 | P | O1 | 136.0° | 60.0° |
| HO3 | O3 | P | O2 | 90.1° | 60.0° |
| HO3 | O3 | P | CA | 25.0° | 180.0° |
| O1 | P | O2 | CA | 114.9° | 120.0° |
| O1 | P | O2 | HO2 | 10.2° | 180.0° |
| O1 | P | CA | CB | 177.2° | 55.0° |
| O1 | P | CA | HA | 62.8° | 175.0° |
| O1 | P | CA | HAA | 58.1° | 64.9° |
| O2 | P | CA | CB | 52.9° | 65.0° |
| O2 | P | CA | HA | 172.8° | 55.0° |
| O2 | P | CA | HAA | 66.3° | 175.0° |
| CA | P | O2 | HO2 | 104.7° | 60.0° |
| P | CA | CB | HA | 120.0° | 120.0° |
| P | CA | CB | HAA | 119.1° | 119.9° |
| P | CA | HA | HAA | 119.2° | 120.0° |
| P | CA | CB | O4 | 79.0° | 180.0° |
| P | CA | CB | HB | 41.0° | 60.0° |
| P | CA | CB | HBA | 161.5° | 60.1° |
| CB | CA | HA | HAA | 119.2° | 120.0° |
| CA | CB | O4 | HB | 120.0° | 120.0° |
| CA | CB | O4 | HBA | 119.5° | 120.0° |
| CA | CB | HB | HBA | 119.5° | 120.0° |
| CA | CB | O4 | HO4 | 17.3° | 180.0° |
| HA | CA | CB | O4 | 161.0° | 60.0° |
| HA | CA | CB | HB | 79.0° | 180.0° |
| HA | CA | CB | HBA | 41.5° | 59.9° |
| HAA | CA | CB | O4 | 40.1° | 60.1° |
| HAA | CA | CB | HB | 160.1° | 59.9° |
| HAA | CA | CB | HBA | 79.4° | 180.0° |
| O4 | CB | HB | HBA | 119.5° | 120.0° |
| HB | CB | O4 | HO4 | 137.3° | 60.0° |
| HBA | CB | O4 | HO4 | 102.2° | 60.1° |
