BH2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.51Å | 1.53Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.47Å | 1.49Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.58Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CB | CG | sing | 1.51Å | 1.49Å | |
| OB | CB | sing | 1.43Å | 1.48Å | |
| CG | OD2 | doub | 1.21Å | 1.22Å | |
| CG | OD1 | sing | 1.34Å | 1.22Å | |
| OD1 | HOD1 | sing | 0.97Å | 0.95Å | |
| H2 | N | sing | 1.01Å | 1.00Å | |
| HOB | OB | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 121.1° | 120.0° |
| O | C | OXT | 119.4° | 120.0° |
| CA | C | OXT | 119.4° | 120.0° |
| C | CA | N | 109.7° | 109.5° |
| C | CA | CB | 109.5° | 109.5° |
| C | CA | HA | 109.3° | 109.5° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| N | CA | CB | 109.5° | 109.5° |
| N | CA | HA | 109.3° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.4° | 111.0° |
| CB | CA | HA | 109.5° | 109.4° |
| CA | CB | HB | 110.0° | 109.5° |
| CA | CB | CG | 119.3° | 109.5° |
| CA | CB | OB | 105.8° | 109.5° |
| HB | CB | CG | 91.4° | 109.5° |
| HB | CB | OB | 109.5° | 109.4° |
| CG | CB | OB | 119.6° | 109.5° |
| CB | CG | OD2 | 118.1° | 120.0° |
| CB | CG | OD1 | 117.9° | 120.0° |
| CB | OB | HOB | 109.5° | 114.0° |
| OD2 | CG | OD1 | 124.0° | 120.0° |
| CG | OD1 | HOD1 | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.8° |
| O | C | CA | N | 164.8° | 20.0° |
| O | C | CA | CB | 44.7° | 100.0° |
| O | C | CA | HA | 75.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| C | CA | N | CB | 120.2° | 120.0° |
| C | CA | N | HA | 119.8° | 120.0° |
| C | CA | N | H | 180.0° | 176.1° |
| C | CA | CB | HA | 119.9° | 120.0° |
| C | CA | CB | HB | 147.8° | 59.9° |
| C | CA | CB | CG | 108.7° | 180.0° |
| C | CA | CB | OB | 29.6° | 60.0° |
| C | CA | N | H2 | 60.0° | 60.0° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | CA | N | 15.2° | 160.2° |
| OXT | C | CA | CB | 135.3° | 79.7° |
| OXT | C | CA | HA | 104.7° | 40.2° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | CB | HA | 119.9° | 120.0° |
| N | CA | CB | HB | 27.5° | 60.1° |
| N | CA | CB | CG | 131.0° | 60.0° |
| N | CA | CB | OB | 90.7° | 180.0° |
| H | N | CA | CB | 59.8° | 63.9° |
| H | N | CA | HA | 60.1° | 56.0° |
| CA | CB | HB | CG | 122.0° | 120.1° |
| CA | CB | HB | OB | 115.8° | 120.0° |
| CA | CB | CG | OB | 132.6° | 120.1° |
| CA | CB | CG | OD2 | 115.1° | 115.0° |
| CA | CB | CG | OD1 | 64.8° | 65.0° |
| CB | CA | N | H2 | 179.8° | 60.0° |
| CA | CB | OB | HOB | 41.6° | 60.0° |
| HA | CA | CB | HB | 92.4° | 180.0° |
| HA | CA | CB | CG | 11.2° | 60.0° |
| HA | CA | CB | OB | 149.5° | 60.0° |
| HA | CA | N | H2 | 59.8° | 180.0° |
| HB | CB | CG | OB | 113.5° | 119.9° |
| HB | CB | CG | OD2 | 131.0° | 125.0° |
| HB | CB | CG | OD1 | 49.1° | 55.1° |
| HB | CB | OB | HOB | 160.1° | 180.0° |
| CB | CG | OD2 | OD1 | 179.9° | 180.0° |
| CB | CG | OD1 | HOD1 | 179.9° | 180.0° |
| CG | CB | OB | HOB | 96.5° | 60.1° |
| OB | CB | CG | OD2 | 17.5° | 5.1° |
| OB | CB | CG | OD1 | 162.6° | 175.0° |
| OD2 | CG | OD1 | HOD1 | 0.0° | 0.0° |
