B2I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | CB | sing | 1.53Å | 1.55Å | |
| CA | B | sing | 1.57Å | 1.55Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | CG1 | sing | 1.53Å | 1.55Å | |
| CB | CG2 | sing | 1.53Å | 1.52Å | |
| CB | HB | sing | 1.09Å | 1.10Å | |
| CG1 | CD1 | sing | 1.53Å | 1.52Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | 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 | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD13 | sing | 1.09Å | 1.10Å | |
| B | O1 | sing | 1.42Å | 1.53Å | |
| B | O2 | sing | 1.42Å | 1.48Å | |
| 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 | 109.5° | 111.0° |
| N | CA | CB | 111.1° | 109.5° |
| N | CA | B | 115.3° | 109.5° |
| N | CA | HA | 105.6° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| CB | CA | B | 113.5° | 109.4° |
| CB | CA | HA | 107.7° | 109.5° |
| CA | CB | CG1 | 109.8° | 109.5° |
| CA | CB | CG2 | 116.9° | 109.5° |
| CA | CB | HB | 103.2° | 109.5° |
| B | CA | HA | 102.7° | 109.5° |
| CA | B | O1 | 116.8° | 120.0° |
| CA | B | O2 | 111.0° | 120.0° |
| CG1 | CB | CG2 | 106.9° | 109.5° |
| CG1 | CB | HB | 113.9° | 109.5° |
| CB | CG1 | CD1 | 110.2° | 109.5° |
| CB | CG1 | HG11 | 109.2° | 109.4° |
| CB | CG1 | HG12 | 109.2° | 109.4° |
| CG2 | CB | HB | 106.3° | 109.4° |
| CB | CG2 | HG21 | 109.5° | 109.5° |
| CB | CG2 | HG22 | 109.5° | 109.5° |
| CB | CG2 | HG23 | 109.5° | 109.4° |
| CD1 | CG1 | HG11 | 109.2° | 109.5° |
| CD1 | CG1 | HG12 | 109.2° | 109.5° |
| CG1 | CD1 | HD11 | 109.5° | 109.5° |
| CG1 | CD1 | HD12 | 109.4° | 109.5° |
| CG1 | CD1 | HD13 | 109.5° | 109.5° |
| HG11 | CG1 | HG12 | 109.7° | 109.5° |
| HG21 | CG2 | HG22 | 109.4° | 109.5° |
| HG21 | CG2 | HG23 | 109.5° | 109.5° |
| HG22 | CG2 | HG23 | 109.5° | 109.4° |
| HD11 | CD1 | HD12 | 109.5° | 109.4° |
| HD11 | CD1 | HD13 | 109.5° | 109.5° |
| HD12 | CD1 | HD13 | 109.4° | 109.5° |
| O1 | B | O2 | 119.2° | 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° | 123.9° |
| N | CA | CB | B | 131.8° | 120.0° |
| N | CA | CB | HA | 115.2° | 120.0° |
| N | CA | B | HA | 114.3° | 120.0° |
| N | CA | CB | CG1 | 64.5° | 175.0° |
| N | CA | CB | CG2 | 57.4° | 55.0° |
| N | CA | CB | HB | 173.7° | 64.9° |
| N | CA | B | O1 | 162.8° | 150.0° |
| N | CA | B | O2 | 56.1° | 30.0° |
| H | N | CA | CB | 180.0° | 176.0° |
| H | N | CA | B | 49.1° | 64.0° |
| H | N | CA | HA | 63.5° | 56.0° |
| H2 | N | CA | CB | 60.0° | 60.0° |
| H2 | N | CA | B | 70.9° | 60.0° |
| H2 | N | CA | HA | 176.4° | 180.0° |
| CB | CA | B | HA | 115.9° | 119.9° |
| CA | CB | CG1 | CG2 | 127.7° | 120.0° |
| CA | CB | CG1 | HB | 115.2° | 120.1° |
| CA | CB | CG2 | HB | 114.5° | 119.9° |
| CA | CB | CG1 | CD1 | 75.7° | 175.0° |
| CA | CB | CG1 | HG11 | 44.3° | 55.0° |
| CA | CB | CG1 | HG12 | 164.3° | 65.0° |
| 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 | 33.0° | 90.0° |
| CB | CA | B | O2 | 174.2° | 90.0° |
| B | CA | CB | CG1 | 163.7° | 65.0° |
| B | CA | CB | CG2 | 74.4° | 175.0° |
| B | CA | CB | HB | 41.9° | 55.1° |
| CA | B | O1 | O2 | 137.8° | 180.0° |
| CA | B | O1 | HO1 | 180.0° | 180.0° |
| CA | B | O2 | HO2 | 180.0° | 180.0° |
| HA | CA | CB | CG1 | 50.7° | 55.0° |
| HA | CA | CB | CG2 | 172.6° | 65.1° |
| HA | CA | CB | HB | 71.1° | 175.0° |
| HA | CA | B | O1 | 82.9° | 30.0° |
| HA | CA | B | O2 | 58.2° | 150.0° |
| CG1 | CB | CG2 | HB | 122.1° | 120.0° |
| CB | CG1 | CD1 | HG11 | 120.0° | 120.0° |
| CB | CG1 | CD1 | HG12 | 120.0° | 120.0° |
| CB | CG1 | HG11 | HG12 | 119.7° | 120.0° |
| CG1 | CB | CG2 | HG21 | 56.6° | 180.0° |
| CG1 | CB | CG2 | HG22 | 63.4° | 59.9° |
| CG1 | CB | CG2 | HG23 | 176.6° | 60.0° |
| CB | CG1 | CD1 | HD11 | 180.0° | 60.0° |
| CB | CG1 | CD1 | HD12 | 60.0° | 60.0° |
| CB | CG1 | CD1 | HD13 | 60.0° | 180.0° |
| CG2 | CB | CG1 | CD1 | 156.6° | 65.0° |
| CG2 | CB | CG1 | HG11 | 83.4° | 175.0° |
| CG2 | CB | CG1 | HG12 | 36.6° | 55.0° |
| CB | CG2 | HG21 | HG22 | 120.0° | 120.0° |
| CB | CG2 | HG21 | HG23 | 120.0° | 120.0° |
| CB | CG2 | HG22 | HG23 | 120.0° | 119.9° |
| HB | CB | CG1 | CD1 | 39.5° | 54.9° |
| HB | CB | CG1 | HG11 | 159.5° | 65.1° |
| HB | CB | CG1 | HG12 | 80.5° | 174.9° |
| HB | CB | CG2 | HG21 | 65.5° | 60.0° |
| HB | CB | CG2 | HG22 | 174.5° | 60.1° |
| HB | CB | CG2 | HG23 | 54.6° | 180.0° |
| CD1 | CG1 | HG11 | HG12 | 119.6° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 120.0° | 120.0° |
| CG1 | CD1 | HD11 | HD13 | 120.0° | 120.0° |
| CG1 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| HG11 | CG1 | CD1 | HD11 | 60.0° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 180.0° | 60.0° |
| HG11 | CG1 | CD1 | HD13 | 60.1° | 60.0° |
| HG12 | CG1 | CD1 | HD11 | 60.0° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 60.0° | 179.9° |
| HG12 | CG1 | CD1 | HD13 | 180.0° | 60.0° |
| HG21 | CG2 | HG22 | HG23 | 120.0° | 120.0° |
| HD11 | CD1 | HD12 | HD13 | 120.0° | 120.0° |
| O1 | B | O2 | HO2 | 39.9° | 0.0° |
| O2 | B | O1 | HO1 | 42.2° | 0.1° |
