BO8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C1 | doub | 1.21Å | 1.22Å | |
| C1 | N | sing | 1.35Å | 1.35Å | |
| C1 | CA1 | sing | 1.51Å | 1.51Å | |
| N | CA | sing | 1.47Å | 1.34Å | |
| CA | B | sing | 1.60Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.52Å | |
| B | OB1 | sing | 1.37Å | 1.53Å | |
| B | OB2 | sing | 1.37Å | 1.53Å | |
| B | OX0 | sing | 1.37Å | 1.45Å | |
| CA1 | CB1 | sing | 1.53Å | 1.52Å | |
| CB1 | CG1 | sing | 1.53Å | 1.53Å | |
| CG1 | CD1 | sing | 1.53Å | 1.53Å | |
| CD1 | CE1 | sing | 1.53Å | 1.53Å | |
| CE1 | NZ1 | sing | 1.47Å | 1.46Å | |
| CE1 | CZ1 | sing | 1.51Å | 1.52Å | |
| CZ1 | O | sing | 1.34Å | 1.26Å | |
| CZ1 | OH1 | doub | 1.21Å | 1.26Å | |
| N | H | sing | 0.97Å | 1.00Å | |
| CA1 | HA11 | sing | 1.09Å | 1.10Å | |
| CA1 | HA12 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB1C | sing | 1.09Å | 1.10Å | |
| CB | HB2C | sing | 1.09Å | 1.10Å | |
| CB | HB3C | sing | 1.09Å | 1.10Å | |
| OB1 | HB1 | sing | 0.97Å | 0.95Å | |
| OB2 | HB2 | sing | 0.97Å | 0.95Å | |
| OX0 | HX0 | sing | 0.97Å | 0.95Å | |
| CB1 | HB11 | sing | 1.09Å | 1.10Å | |
| CB1 | HB12 | sing | 1.09Å | 1.10Å | |
| CG1 | HG11 | sing | 1.09Å | 1.10Å | |
| CG1 | HG12 | sing | 1.09Å | 1.10Å | |
| CD1 | HD11 | sing | 1.09Å | 1.10Å | |
| CD1 | HD12 | sing | 1.09Å | 1.10Å | |
| CE1 | HE1 | sing | 1.09Å | 1.10Å | |
| NZ1 | HZ11 | sing | 1.01Å | 1.00Å | |
| NZ1 | HZ12 | sing | 1.01Å | 1.00Å | |
| O | HB | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C1 | N | 124.6° | 120.0° |
| O1 | C1 | CA1 | 118.0° | 120.0° |
| N | C1 | CA1 | 117.4° | 120.0° |
| C1 | N | CA | 123.8° | 120.0° |
| C1 | N | H | 118.1° | 120.0° |
| C1 | CA1 | CB1 | 108.3° | 109.4° |
| C1 | CA1 | HA11 | 109.9° | 109.5° |
| C1 | CA1 | HA12 | 110.1° | 109.5° |
| N | CA | B | 114.8° | 109.4° |
| N | CA | CB | 108.4° | 109.5° |
| CA | N | H | 118.1° | 120.0° |
| N | CA | HA | 106.5° | 109.5° |
| B | CA | CB | 109.3° | 109.5° |
| CA | B | OB1 | 112.6° | 109.5° |
| CA | B | OB2 | 111.1° | 109.5° |
| CA | B | OX0 | 117.8° | 109.5° |
| B | CA | HA | 105.5° | 109.5° |
| CB | CA | HA | 112.3° | 109.5° |
| CA | CB | HB1C | 109.5° | 109.5° |
| CA | CB | HB2C | 109.5° | 109.5° |
| CA | CB | HB3C | 109.5° | 109.5° |
| OB1 | B | OB2 | 107.7° | 109.4° |
| OB1 | B | OX0 | 100.5° | 109.5° |
| B | OB1 | HB1 | 109.5° | 114.0° |
| OB2 | B | OX0 | 106.3° | 109.5° |
| B | OB2 | HB2 | 109.5° | 114.0° |
| B | OX0 | HX0 | 109.5° | 114.0° |
| CA1 | CB1 | CG1 | 112.1° | 109.4° |
| CB1 | CA1 | HA11 | 109.9° | 109.5° |
| CB1 | CA1 | HA12 | 110.1° | 109.4° |
| CA1 | CB1 | HB11 | 108.6° | 109.5° |
| CA1 | CB1 | HB12 | 108.0° | 109.5° |
| CB1 | CG1 | CD1 | 108.7° | 109.5° |
| CG1 | CB1 | HB11 | 108.6° | 109.5° |
| CG1 | CB1 | HB12 | 108.0° | 109.4° |
| CB1 | CG1 | HG11 | 109.7° | 109.5° |
| CB1 | CG1 | HG12 | 109.9° | 109.4° |
| CG1 | CD1 | CE1 | 116.7° | 109.4° |
| CD1 | CG1 | HG11 | 109.7° | 109.5° |
| CD1 | CG1 | HG12 | 109.9° | 109.5° |
| CG1 | CD1 | HD11 | 107.2° | 109.5° |
| CG1 | CD1 | HD12 | 105.5° | 109.5° |
| CD1 | CE1 | NZ1 | 107.2° | 109.5° |
| CD1 | CE1 | CZ1 | 113.3° | 109.5° |
| CE1 | CD1 | HD11 | 107.1° | 109.5° |
| CE1 | CD1 | HD12 | 105.5° | 109.5° |
| CD1 | CE1 | HE1 | 108.4° | 109.5° |
| NZ1 | CE1 | CZ1 | 109.2° | 109.5° |
| NZ1 | CE1 | HE1 | 112.5° | 109.5° |
| CE1 | NZ1 | HZ11 | 109.5° | 111.0° |
| CE1 | NZ1 | HZ12 | 109.5° | 111.0° |
| CE1 | CZ1 | O | 119.5° | 120.0° |
| CE1 | CZ1 | OH1 | 118.5° | 120.0° |
| CZ1 | CE1 | HE1 | 106.3° | 109.4° |
| O | CZ1 | OH1 | 122.0° | 120.1° |
| CZ1 | O | HB | 109.5° | 116.9° |
| HA11 | CA1 | HA12 | 108.6° | 109.5° |
| HB1C | CB | HB2C | 109.5° | 109.5° |
| HB1C | CB | HB3C | 109.5° | 109.4° |
| HB2C | CB | HB3C | 109.5° | 109.5° |
| HB11 | CB1 | HB12 | 111.5° | 109.5° |
| HG11 | CG1 | HG12 | 108.9° | 109.5° |
| HD11 | CD1 | HD12 | 115.3° | 109.5° |
| HZ11 | NZ1 | HZ12 | 109.4° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C1 | N | CA1 | 179.2° | 179.7° |
| O1 | C1 | N | CA | 1.1° | 0.1° |
| O1 | C1 | CA1 | CB1 | 90.8° | 0.1° |
| O1 | C1 | N | H | 178.8° | 179.9° |
| O1 | C1 | CA1 | HA11 | 149.1° | 120.0° |
| O1 | C1 | CA1 | HA12 | 29.6° | 120.0° |
| C1 | N | CA | H | 180.0° | 179.9° |
| C1 | N | CA | B | 123.9° | 105.0° |
| C1 | N | CA | CB | 113.5° | 135.0° |
| N | C1 | CA1 | CB1 | 89.9° | 179.7° |
| N | C1 | CA1 | HA11 | 30.1° | 60.3° |
| N | C1 | CA1 | HA12 | 149.7° | 59.7° |
| C1 | N | CA | HA | 7.5° | 14.9° |
| CA1 | C1 | N | CA | 179.6° | 179.8° |
| C1 | CA1 | CB1 | HA11 | 120.0° | 120.0° |
| C1 | CA1 | CB1 | HA12 | 120.5° | 119.9° |
| C1 | CA1 | CB1 | CG1 | 179.1° | 180.0° |
| CA1 | C1 | N | H | 0.4° | 0.4° |
| C1 | CA1 | HA11 | HA12 | 120.5° | 120.0° |
| C1 | CA1 | CB1 | HB11 | 60.9° | 60.0° |
| C1 | CA1 | CB1 | HB12 | 60.2° | 60.1° |
| N | CA | B | CB | 122.1° | 120.0° |
| N | CA | B | HA | 116.9° | 120.0° |
| N | CA | CB | HA | 117.4° | 120.0° |
| N | CA | B | OB1 | 50.0° | 60.0° |
| N | CA | B | OB2 | 70.9° | 180.0° |
| N | CA | B | OX0 | 166.2° | 60.0° |
| N | CA | CB | HB1C | 148.5° | 60.0° |
| N | CA | CB | HB2C | 91.6° | 179.9° |
| N | CA | CB | HB3C | 28.4° | 59.9° |
| B | CA | CB | HA | 116.8° | 120.0° |
| CA | B | OB1 | OB2 | 122.8° | 120.0° |
| CA | B | OB1 | OX0 | 126.2° | 120.0° |
| CA | B | OB2 | OX0 | 129.3° | 120.0° |
| B | CA | N | H | 56.1° | 75.1° |
| B | CA | CB | HB1C | 85.7° | 180.0° |
| B | CA | CB | HB2C | 34.3° | 60.0° |
| B | CA | CB | HB3C | 154.3° | 60.0° |
| CA | B | OB1 | HB1 | 165.3° | 60.0° |
| CA | B | OB2 | HB2 | 88.6° | 60.0° |
| CA | B | OX0 | HX0 | 103.8° | 180.0° |
| CB | CA | B | OB1 | 72.1° | 60.0° |
| CB | CA | B | OB2 | 167.0° | 60.0° |
| CB | CA | B | OX0 | 44.1° | 180.0° |
| CB | CA | N | H | 66.5° | 44.9° |
| CA | CB | HB1C | HB2C | 120.0° | 120.0° |
| CA | CB | HB1C | HB3C | 120.0° | 120.0° |
| CA | CB | HB2C | HB3C | 120.0° | 120.0° |
| OB1 | B | OB2 | OX0 | 106.9° | 120.0° |
| OB1 | B | CA | HA | 166.9° | 180.0° |
| OB1 | B | OB2 | HB2 | 35.2° | 180.0° |
| OB1 | B | OX0 | HX0 | 133.6° | 60.0° |
| OB2 | B | CA | HA | 46.1° | 60.0° |
| OB2 | B | OB1 | HB1 | 71.9° | 180.0° |
| OB2 | B | OX0 | HX0 | 21.5° | 60.0° |
| OX0 | B | CA | HA | 76.9° | 60.0° |
| OX0 | B | OB1 | HB1 | 39.1° | 60.0° |
| OX0 | B | OB2 | HB2 | 142.1° | 60.0° |
| CA1 | CB1 | CG1 | HB11 | 120.0° | 120.0° |
| CA1 | CB1 | CG1 | HB12 | 118.9° | 119.9° |
| CA1 | CB1 | CG1 | CD1 | 170.3° | 180.0° |
| CB1 | CA1 | HA11 | HA12 | 120.5° | 120.0° |
| CA1 | CB1 | HB11 | HB12 | 118.9° | 120.0° |
| CA1 | CB1 | CG1 | HG11 | 69.7° | 59.9° |
| CA1 | CB1 | CG1 | HG12 | 50.0° | 60.1° |
| CB1 | CG1 | CD1 | HG11 | 120.0° | 120.0° |
| CB1 | CG1 | CD1 | HG12 | 120.3° | 119.9° |
| CB1 | CG1 | CD1 | CE1 | 170.0° | 180.0° |
| CG1 | CB1 | CA1 | HA11 | 59.1° | 60.0° |
| CG1 | CB1 | CA1 | HA12 | 60.4° | 60.1° |
| CG1 | CB1 | HB11 | HB12 | 118.9° | 120.0° |
| CB1 | CG1 | HG11 | HG12 | 120.3° | 119.9° |
| CB1 | CG1 | CD1 | HD11 | 70.0° | 60.0° |
| CB1 | CG1 | CD1 | HD12 | 53.4° | 60.0° |
| CG1 | CD1 | CE1 | HD11 | 120.0° | 120.0° |
| CG1 | CD1 | CE1 | HD12 | 116.7° | 120.0° |
| CG1 | CD1 | CE1 | NZ1 | 171.6° | 65.0° |
| CG1 | CD1 | CE1 | CZ1 | 51.1° | 175.0° |
| CD1 | CG1 | CB1 | HB11 | 50.3° | 60.0° |
| CD1 | CG1 | CB1 | HB12 | 70.8° | 60.0° |
| CD1 | CG1 | HG11 | HG12 | 120.3° | 120.0° |
| CG1 | CD1 | HD11 | HD12 | 117.1° | 120.0° |
| CG1 | CD1 | CE1 | HE1 | 66.7° | 55.1° |
| CD1 | CE1 | NZ1 | CZ1 | 123.1° | 120.0° |
| CD1 | CE1 | NZ1 | HE1 | 119.0° | 120.1° |
| CD1 | CE1 | CZ1 | HE1 | 118.9° | 120.0° |
| CD1 | CE1 | CZ1 | O | 83.3° | 79.9° |
| CD1 | CE1 | CZ1 | OH1 | 98.0° | 100.0° |
| CE1 | CD1 | CG1 | HG11 | 50.1° | 60.0° |
| CE1 | CD1 | CG1 | HG12 | 69.7° | 60.0° |
| CE1 | CD1 | HD11 | HD12 | 117.0° | 120.0° |
| CD1 | CE1 | NZ1 | HZ11 | 16.8° | 60.0° |
| CD1 | CE1 | NZ1 | HZ12 | 103.2° | 176.1° |
| NZ1 | CE1 | CZ1 | HE1 | 121.6° | 120.0° |
| NZ1 | CE1 | CZ1 | O | 157.3° | 160.0° |
| NZ1 | CE1 | CZ1 | OH1 | 21.5° | 20.0° |
| NZ1 | CE1 | CD1 | HD11 | 68.4° | 55.0° |
| NZ1 | CE1 | CD1 | HD12 | 54.9° | 175.0° |
| CE1 | NZ1 | HZ11 | HZ12 | 120.0° | 123.9° |
| CE1 | CZ1 | O | OH1 | 178.7° | 179.9° |
| CZ1 | CE1 | CD1 | HD11 | 171.1° | 65.0° |
| CZ1 | CE1 | CD1 | HD12 | 65.6° | 55.0° |
| CZ1 | CE1 | NZ1 | HZ11 | 139.9° | 60.0° |
| CZ1 | CE1 | NZ1 | HZ12 | 19.9° | 63.9° |
| CE1 | CZ1 | O | HB | 178.7° | 180.0° |
| O | CZ1 | CE1 | HE1 | 35.6° | 40.0° |
| OH1 | CZ1 | CE1 | HE1 | 143.1° | 140.0° |
| OH1 | CZ1 | O | HB | 0.0° | 0.1° |
| H | N | CA | HA | 172.5° | 164.9° |
| HA11 | CA1 | CB1 | HB11 | 179.1° | 180.0° |
| HA11 | CA1 | CB1 | HB12 | 59.8° | 59.9° |
| HA12 | CA1 | CB1 | HB11 | 59.6° | 60.0° |
| HA12 | CA1 | CB1 | HB12 | 179.3° | 180.0° |
| HA | CA | CB | HB1C | 31.1° | 60.0° |
| HA | CA | CB | HB2C | 151.0° | 60.0° |
| HA | CA | CB | HB3C | 88.9° | 180.0° |
| HB1C | CB | HB2C | HB3C | 120.0° | 120.0° |
| HB11 | CB1 | CG1 | HG11 | 170.3° | 180.0° |
| HB11 | CB1 | CG1 | HG12 | 70.0° | 60.0° |
| HB12 | CB1 | CG1 | HG11 | 49.2° | 60.0° |
| HB12 | CB1 | CG1 | HG12 | 168.9° | 180.0° |
| HG11 | CG1 | CD1 | HD11 | 170.1° | 180.0° |
| HG11 | CG1 | CD1 | HD12 | 66.6° | 60.0° |
| HG12 | CG1 | CD1 | HD11 | 50.3° | 60.0° |
| HG12 | CG1 | CD1 | HD12 | 173.7° | 180.0° |
| HD11 | CD1 | CE1 | HE1 | 53.3° | 175.1° |
| HD12 | CD1 | CE1 | HE1 | 176.6° | 64.9° |
| HE1 | CE1 | NZ1 | HZ11 | 102.3° | 179.9° |
| HE1 | CE1 | NZ1 | HZ12 | 137.8° | 56.0° |
