BLJ
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| AS | CG | sing | 1.99Å | 2.00Å | |
| AS | OEB | doub | 1.58Å | 2.01Å | |
| AS | OEA | sing | 1.84Å | 1.94Å | |
| AS | CE | sing | 1.99Å | 1.95Å | |
| O1 | C1 | doub | 1.21Å | 1.27Å | |
| C1 | OT | sing | 1.34Å | 1.28Å | |
| C1 | CA | sing | 1.51Å | 1.53Å | |
| CA | N1 | sing | 1.47Å | 1.46Å | |
| CA | CB | sing | 1.53Å | 1.51Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| OT | H1 | sing | 0.97Å | 0.95Å | |
| CA | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 1.01Å | 1.00Å | |
| N1 | H4 | sing | 1.01Å | 1.00Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| CB | H7 | sing | 1.09Å | 1.10Å | |
| CG | H8 | sing | 1.09Å | 1.10Å | |
| CG | H9 | sing | 1.09Å | 1.10Å | |
| OEA | H11 | sing | 0.97Å | 0.95Å | |
| CE | H12 | sing | 1.09Å | 1.10Å | |
| CE | H13 | sing | 1.09Å | 1.10Å | |
| CE | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | AS | OEB | 99.5° | 109.5° |
| CG | AS | OEA | 115.7° | 109.5° |
| CG | AS | CE | 114.4° | 109.5° |
| AS | CG | CB | 120.6° | 109.5° |
| AS | CG | H8 | 106.7° | 109.5° |
| AS | CG | H9 | 106.6° | 109.5° |
| OEB | AS | OEA | 117.4° | 109.5° |
| OEB | AS | CE | 113.7° | 109.5° |
| OEA | AS | CE | 97.0° | 109.5° |
| AS | OEA | H11 | 109.5° | 114.0° |
| AS | CE | H12 | 109.5° | 109.5° |
| AS | CE | H13 | 109.5° | 109.4° |
| AS | CE | H14 | 109.5° | 109.5° |
| O1 | C1 | OT | 121.5° | 120.0° |
| O1 | C1 | CA | 115.2° | 120.0° |
| OT | C1 | CA | 123.2° | 120.0° |
| C1 | OT | H1 | 109.5° | 117.0° |
| C1 | CA | N1 | 108.3° | 109.5° |
| C1 | CA | CB | 115.7° | 109.5° |
| C1 | CA | H2 | 109.6° | 109.4° |
| N1 | CA | CB | 102.9° | 109.5° |
| N1 | CA | H2 | 110.5° | 109.5° |
| CA | N1 | H3 | 109.5° | 111.0° |
| CA | N1 | H4 | 109.5° | 111.0° |
| CA | CB | CG | 115.0° | 109.5° |
| CB | CA | H2 | 109.7° | 109.5° |
| CA | CB | H6 | 108.1° | 109.4° |
| CA | CB | H7 | 108.1° | 109.5° |
| CG | CB | H6 | 108.1° | 109.5° |
| CG | CB | H7 | 108.0° | 109.5° |
| CB | CG | H8 | 106.6° | 109.5° |
| CB | CG | H9 | 106.6° | 109.5° |
| H3 | N1 | H4 | 109.5° | 110.9° |
| H6 | CB | H7 | 109.5° | 109.5° |
| H8 | CG | H9 | 109.5° | 109.4° |
| H12 | CE | H13 | 109.4° | 109.4° |
| H12 | CE | H14 | 109.4° | 109.5° |
| H13 | CE | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | AS | OEB | OEA | 125.7° | 120.0° |
| CG | AS | OEB | CE | 122.1° | 120.0° |
| CG | AS | OEA | CE | 121.4° | 120.0° |
| AS | CG | CB | CA | 95.7° | 180.0° |
| AS | CG | CB | H8 | 121.6° | 120.0° |
| AS | CG | CB | H9 | 121.6° | 120.0° |
| AS | CG | CB | H6 | 25.1° | 60.0° |
| AS | CG | CB | H7 | 143.4° | 60.0° |
| AS | CG | H8 | H9 | 115.0° | 120.0° |
| CG | AS | OEA | H11 | 180.0° | 60.0° |
| CG | AS | CE | H12 | 180.0° | 60.1° |
| CG | AS | CE | H13 | 60.0° | 180.0° |
| CG | AS | CE | H14 | 60.0° | 60.0° |
| OEB | AS | OEA | CE | 121.3° | 120.0° |
| OEB | AS | CG | CB | 59.1° | 60.0° |
| OEB | AS | CG | H8 | 62.4° | 60.0° |
| OEB | AS | CG | H9 | 179.3° | 179.9° |
| OEB | AS | OEA | H11 | 62.8° | 180.0° |
| OEB | AS | CE | H12 | 66.5° | 59.9° |
| OEB | AS | CE | H13 | 173.5° | 60.0° |
| OEB | AS | CE | H14 | 53.5° | 180.0° |
| OEA | AS | CG | CB | 67.7° | 60.0° |
| OEA | AS | CG | H8 | 170.7° | 180.0° |
| OEA | AS | CG | H9 | 53.9° | 60.1° |
| OEA | AS | CE | H12 | 57.6° | 179.9° |
| OEA | AS | CE | H13 | 62.4° | 60.0° |
| OEA | AS | CE | H14 | 177.6° | 60.0° |
| CE | AS | CG | CB | 179.2° | 180.0° |
| CE | AS | CG | H8 | 59.2° | 60.0° |
| CE | AS | CG | H9 | 57.7° | 59.9° |
| CE | AS | OEA | H11 | 58.6° | 60.0° |
| AS | CE | H12 | H13 | 120.0° | 119.9° |
| AS | CE | H12 | H14 | 120.0° | 120.1° |
| AS | CE | H13 | H14 | 120.0° | 120.0° |
| O1 | C1 | OT | CA | 177.4° | 180.0° |
| O1 | C1 | CA | N1 | 77.6° | 20.1° |
| O1 | C1 | CA | CB | 37.3° | 100.0° |
| O1 | C1 | OT | H1 | 0.0° | 0.0° |
| O1 | C1 | CA | H2 | 161.8° | 140.0° |
| OT | C1 | CA | N1 | 99.9° | 160.0° |
| OT | C1 | CA | CB | 145.2° | 80.0° |
| OT | C1 | CA | H2 | 20.7° | 40.0° |
| C1 | CA | N1 | CB | 123.0° | 120.0° |
| C1 | CA | N1 | H2 | 120.0° | 119.9° |
| C1 | CA | CB | H2 | 124.5° | 119.9° |
| C1 | CA | CB | CG | 107.1° | 175.0° |
| CA | C1 | OT | H1 | 177.4° | 180.0° |
| C1 | CA | N1 | H3 | 180.0° | 60.1° |
| C1 | CA | N1 | H4 | 60.0° | 176.1° |
| C1 | CA | CB | H6 | 132.1° | 65.0° |
| C1 | CA | CB | H7 | 13.8° | 55.0° |
| N1 | CA | CB | H2 | 117.6° | 120.0° |
| N1 | CA | CB | CG | 135.0° | 65.0° |
| CA | N1 | H3 | H4 | 120.0° | 123.9° |
| N1 | CA | CB | H6 | 14.2° | 55.0° |
| N1 | CA | CB | H7 | 104.2° | 175.0° |
| CA | CB | CG | H6 | 120.8° | 119.9° |
| CA | CB | CG | H7 | 120.8° | 120.0° |
| CB | CA | N1 | H3 | 57.0° | 60.0° |
| CB | CA | N1 | H4 | 177.1° | 63.9° |
| CA | CB | H6 | H7 | 117.5° | 120.0° |
| CA | CB | CG | H8 | 25.9° | 59.9° |
| CA | CB | CG | H9 | 142.7° | 60.0° |
| CG | CB | CA | H2 | 17.4° | 55.1° |
| CG | CB | H6 | H7 | 117.4° | 120.1° |
| CB | CG | H8 | H9 | 114.9° | 120.0° |
| H2 | CA | N1 | H3 | 60.0° | 180.0° |
| H2 | CA | N1 | H4 | 60.0° | 56.1° |
| H2 | CA | CB | H6 | 103.4° | 175.0° |
| H2 | CA | CB | H7 | 138.2° | 65.0° |
| H6 | CB | CG | H8 | 146.7° | 60.0° |
| H6 | CB | CG | H9 | 96.5° | 180.0° |
| H7 | CB | CG | H8 | 95.0° | 180.0° |
| H7 | CB | CG | H9 | 21.9° | 60.0° |
| H12 | CE | H13 | H14 | 120.0° | 120.0° |
