B2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | B | sing | 1.57Å | 1.56Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.54Å | |
| CB | CG2 | sing | 1.53Å | 1.53Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG13 | sing | 1.09Å | 1.10Å | |
| CG2 | HG21 | sing | 1.09Å | 1.10Å | |
| CG2 | HG22 | sing | 1.09Å | 1.10Å | |
| CG2 | HG23 | sing | 1.09Å | 1.10Å | |
| B | O1 | sing | 1.42Å | 1.53Å | |
| B | O2 | sing | 1.42Å | 1.50Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 110.9° |
| N | CA | CB | 112.5° | 109.5° |
| N | CA | B | 109.8° | 109.5° |
| N | CA | HA | 108.8° | 109.5° |
| H | N | H2 | 109.5° | 111.1° |
| CB | CA | B | 113.9° | 109.5° |
| CB | CA | HA | 104.3° | 109.5° |
| CA | CB | CG1 | 114.7° | 109.5° |
| CA | CB | CG2 | 111.7° | 109.5° |
| CA | CB | HB | 104.0° | 109.4° |
| B | CA | HA | 107.2° | 109.4° |
| CA | B | O1 | 113.7° | 120.0° |
| CA | B | O2 | 116.7° | 120.0° |
| CG1 | CB | CG2 | 109.0° | 109.5° |
| CG1 | CB | HB | 107.0° | 109.4° |
| CB | CG1 | HG11 | 109.5° | 109.4° |
| CB | CG1 | HG12 | 109.5° | 109.4° |
| CB | CG1 | HG13 | 109.5° | 109.5° |
| CG2 | CB | HB | 110.3° | 109.5° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.4° |
| CB | CG2 | HG23 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.4° | 109.5° |
| HG11 | CG1 | HG13 | 109.5° | 109.5° |
| HG12 | CG1 | HG13 | 109.5° | 109.5° |
| HG21 | CG2 | HG22 | 109.5° | 109.5° |
| HG21 | CG2 | HG23 | 109.4° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| O1 | B | O2 | 111.4° | 120.0° |
| B | O1 | HO1 | 109.5° | 114.0° |
| B | O2 | HO2 | 109.5° | 114.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | CB | B | 125.8° | 120.1° |
| N | CA | CB | HA | 117.7° | 120.0° |
| N | CA | B | HA | 118.1° | 120.0° |
| N | CA | CB | CG1 | 70.9° | 175.0° |
| N | CA | CB | CG2 | 53.7° | 55.0° |
| N | CA | CB | HB | 172.7° | 65.1° |
| N | CA | B | O1 | 167.1° | 150.0° |
| N | CA | B | O2 | 61.0° | 30.1° |
| H | N | CA | CB | 180.0° | 176.0° |
| H | N | CA | B | 52.0° | 63.9° |
| H | N | CA | HA | 65.1° | 56.0° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | B | 68.0° | 60.1° |
| H2 | N | CA | HA | 174.9° | 180.0° |
| CB | CA | B | HA | 114.8° | 120.0° |
| CA | CB | CG1 | CG2 | 126.0° | 120.0° |
| CA | CB | CG1 | HB | 114.7° | 119.9° |
| CA | CB | CG2 | HB | 115.1° | 120.0° |
| CA | CB | CG1 | HG11 | 180.0° | 60.0° |
| CA | CB | CG1 | HG12 | 60.0° | 180.0° |
| CA | CB | CG1 | HG13 | 60.0° | 60.0° |
| CA | CB | CG2 | HG21 | 180.0° | 60.0° |
| CA | CB | CG2 | HG22 | 60.0° | 180.0° |
| CA | CB | CG2 | HG23 | 60.0° | 60.1° |
| CB | CA | B | O1 | 40.0° | 90.0° |
| CB | CA | B | O2 | 171.8° | 90.0° |
| B | CA | CB | CG1 | 163.4° | 64.9° |
| B | CA | CB | CG2 | 72.0° | 175.0° |
| B | CA | CB | HB | 46.9° | 55.0° |
| CA | B | O1 | O2 | 134.4° | 180.0° |
| CA | B | O1 | HO1 | 180.0° | 180.0° |
| CA | B | O2 | HO2 | 180.0° | 180.0° |
| HA | CA | CB | CG1 | 46.8° | 55.0° |
| HA | CA | CB | CG2 | 171.4° | 65.1° |
| HA | CA | CB | HB | 69.6° | 174.9° |
| HA | CA | B | O1 | 74.8° | 30.0° |
| HA | CA | B | O2 | 57.0° | 150.0° |
| CG1 | CB | CG2 | HB | 117.2° | 120.0° |
| CB | CG1 | HG11 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG13 | 120.0° | 120.0° |
| CB | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| CG1 | CB | CG2 | HG21 | 52.3° | 180.0° |
| CG1 | CB | CG2 | HG22 | 67.7° | 60.0° |
| CG1 | CB | CG2 | HG23 | 172.3° | 60.0° |
| CG2 | CB | CG1 | HG11 | 54.0° | 60.0° |
| CG2 | CB | CG1 | HG12 | 174.0° | 60.0° |
| CG2 | CB | CG1 | HG13 | 66.0° | 180.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HB | CB | CG1 | HG11 | 65.3° | 180.0° |
| HB | CB | CG1 | HG12 | 54.7° | 60.0° |
| HB | CB | CG1 | HG13 | 174.7° | 60.0° |
| HB | CB | CG2 | HG21 | 64.9° | 60.0° |
| HB | CB | CG2 | HG22 | 175.1° | 60.0° |
| HB | CB | CG2 | HG23 | 55.1° | 179.9° |
| HG11 | CG1 | HG12 | HG13 | 120.0° | 120.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| O1 | B | O2 | HO2 | 47.1° | 0.0° |
| O2 | B | O1 | HO1 | 45.6° | 0.0° |
