B3S
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.41Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | H2 | sing | 0.99Å | 1.00Å | |
| OD | CG | sing | 1.42Å | 1.41Å | |
| OD | HD | sing | 0.97Å | 0.95Å | |
| CG | CA | sing | 1.54Å | 1.56Å | |
| CG | HG3 | sing | 1.10Å | 1.10Å | |
| CG | HG2 | sing | 1.10Å | 1.10Å | |
| CA | CB | sing | 1.54Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | C | sing | 1.51Å | 1.56Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| C | OXT | sing | 1.36Å | 1.32Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 117.8° |
| CA | N | H2 | 109.5° | 117.7° |
| N | CA | CG | 101.7° | 107.7° |
| N | CA | CB | 108.3° | 109.5° |
| N | CA | HA | 120.7° | 108.3° |
| H | N | H2 | 109.5° | 123.0° |
| CG | OD | HD | 109.5° | 106.9° |
| OD | CG | CA | 115.6° | 111.5° |
| OD | CG | HG3 | 107.5° | 107.8° |
| OD | CG | HG2 | 106.1° | 107.5° |
| CA | CG | HG3 | 107.5° | 111.2° |
| CA | CG | HG2 | 106.1° | 110.9° |
| CG | CA | CB | 122.4° | 112.7° |
| CG | CA | HA | 106.0° | 109.0° |
| HG3 | CG | HG2 | 114.3° | 107.5° |
| CB | CA | HA | 99.2° | 109.5° |
| CA | CB | C | 107.1° | 113.6° |
| CA | CB | HB1 | 110.3° | 110.3° |
| CA | CB | HB2 | 110.8° | 109.5° |
| C | CB | HB1 | 110.3° | 105.9° |
| C | CB | HB2 | 110.8° | 109.3° |
| CB | C | OXT | 115.9° | 111.7° |
| CB | C | O | 123.0° | 125.3° |
| HB1 | CB | HB2 | 107.6° | 108.1° |
| OXT | C | O | 121.1° | 122.9° |
| C | OXT | HXT | 109.5° | 115.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 165.8° |
| N | CA | CG | OD | 129.4° | 59.6° |
| N | CA | CG | CB | 120.8° | 120.9° |
| N | CA | CG | HA | 127.0° | 117.3° |
| N | CA | CG | HG3 | 9.4° | 60.9° |
| N | CA | CG | HG2 | 113.3° | 179.4° |
| N | CA | CB | HA | 126.7° | 118.6° |
| N | CA | CB | C | 84.6° | 178.6° |
| N | CA | CB | HB1 | 155.4° | 62.6° |
| N | CA | CB | HB2 | 36.4° | 56.2° |
| H | N | CA | CG | 156.1° | 99.6° |
| H | N | CA | CB | 73.7° | 23.3° |
| H | N | CA | HA | 39.3° | 142.7° |
| H2 | N | CA | CG | 83.8° | 93.9° |
| H2 | N | CA | CB | 46.3° | 143.3° |
| H2 | N | CA | HA | 159.4° | 23.9° |
| OD | CG | CA | HG3 | 120.0° | 120.5° |
| OD | CG | CA | HG2 | 117.2° | 119.9° |
| OD | CG | HG3 | HG2 | 117.5° | 115.7° |
| OD | CG | CA | CB | 8.6° | 179.6° |
| OD | CG | CA | HA | 103.6° | 57.7° |
| HD | OD | CG | CA | 123.3° | 59.0° |
| HD | OD | CG | HG3 | 3.2° | 63.5° |
| HD | OD | CG | HG2 | 119.5° | 179.2° |
| CA | CG | HG3 | HG2 | 117.5° | 121.7° |
| CG | CA | CB | HA | 115.7° | 121.5° |
| CG | CA | CB | C | 157.8° | 61.5° |
| CG | CA | CB | HB1 | 37.8° | 57.2° |
| CG | CA | CB | HB2 | 81.2° | 176.0° |
| HG3 | CG | CA | CB | 111.4° | 60.0° |
| HG3 | CG | CA | HA | 136.4° | 178.2° |
| HG2 | CG | CA | CB | 125.9° | 59.7° |
| HG2 | CG | CA | HA | 13.7° | 62.2° |
| CA | CB | C | HB1 | 120.0° | 121.3° |
| CA | CB | C | HB2 | 121.0° | 122.6° |
| CA | CB | HB1 | HB2 | 121.0° | 119.7° |
| CA | CB | C | OXT | 110.1° | 149.0° |
| CA | CB | C | O | 69.5° | 28.8° |
| HA | CA | CB | C | 42.1° | 60.0° |
| HA | CA | CB | HB1 | 77.9° | 178.7° |
| HA | CA | CB | HB2 | 163.1° | 62.4° |
| C | CB | HB1 | HB2 | 121.0° | 117.0° |
| CB | C | OXT | O | 179.6° | 177.9° |
| CB | C | OXT | HXT | 179.6° | 177.9° |
| HB1 | CB | C | OXT | 130.0° | 27.8° |
| HB1 | CB | C | O | 50.5° | 150.1° |
| HB2 | CB | C | OXT | 10.9° | 88.4° |
| HB2 | CB | C | O | 169.5° | 93.8° |
| O | C | OXT | HXT | 0.0° | 0.0° |
