B3A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CG | CA | sing | 1.53Å | 1.55Å | |
| CG | HG1 | sing | 1.10Å | 1.10Å | |
| CG | HG2 | sing | 1.10Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CA | N | sing | 1.46Å | 1.44Å | |
| CA | CB | sing | 1.53Å | 1.49Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| N | H | sing | 1.00Å | 1.00Å | |
| N | H2 | sing | 1.00Å | 1.00Å | |
| CB | C | sing | 1.51Å | 1.51Å | |
| 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 | 1.22Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | CG | HG1 | 109.5° | 111.5° |
| CA | CG | HG2 | 109.5° | 111.0° |
| CA | CG | HG3 | 109.4° | 111.1° |
| CG | CA | N | 109.8° | 108.7° |
| CG | CA | CB | 105.6° | 112.2° |
| CG | CA | HA | 112.1° | 108.6° |
| HG1 | CG | HG2 | 109.5° | 107.9° |
| HG1 | CG | HG3 | 109.5° | 108.0° |
| HG2 | CG | HG3 | 109.5° | 107.2° |
| N | CA | CB | 110.3° | 109.0° |
| N | CA | HA | 107.5° | 108.5° |
| CA | N | H | 109.5° | 117.9° |
| CA | N | H2 | 109.4° | 117.8° |
| CB | CA | HA | 111.6° | 109.8° |
| CA | CB | C | 113.3° | 111.6° |
| CA | CB | HB1 | 108.2° | 110.9° |
| CA | CB | HB2 | 107.3° | 111.7° |
| H | N | H2 | 109.5° | 122.8° |
| C | CB | HB1 | 108.2° | 106.3° |
| C | CB | HB2 | 107.4° | 110.4° |
| CB | C | OXT | 116.7° | 112.9° |
| CB | C | O | 120.9° | 123.8° |
| HB1 | CB | HB2 | 112.5° | 105.6° |
| OXT | C | O | 122.4° | 123.2° |
| C | OXT | HXT | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | CG | HG1 | HG2 | 120.0° | 122.1° |
| CA | CG | HG1 | HG3 | 120.0° | 122.3° |
| CA | CG | HG2 | HG3 | 120.0° | 121.5° |
| CG | CA | N | CB | 115.9° | 122.6° |
| CG | CA | N | HA | 122.2° | 117.9° |
| CG | CA | CB | HA | 122.0° | 120.8° |
| CG | CA | N | H | 136.1° | 130.5° |
| CG | CA | N | H2 | 103.9° | 36.1° |
| CG | CA | CB | C | 162.1° | 60.8° |
| CG | CA | CB | HB1 | 42.1° | 179.1° |
| CG | CA | CB | HB2 | 79.6° | 63.3° |
| HG1 | CG | HG2 | HG3 | 120.0° | 116.1° |
| HG1 | CG | CA | N | 128.3° | 63.1° |
| HG1 | CG | CA | CB | 112.8° | 57.5° |
| HG1 | CG | CA | HA | 8.9° | 179.0° |
| HG2 | CG | CA | N | 8.3° | 57.3° |
| HG2 | CG | CA | CB | 127.2° | 177.9° |
| HG2 | CG | CA | HA | 111.1° | 60.6° |
| HG3 | CG | CA | N | 111.7° | 176.5° |
| HG3 | CG | CA | CB | 7.2° | 62.9° |
| HG3 | CG | CA | HA | 128.9° | 58.6° |
| N | CA | CB | HA | 119.5° | 118.7° |
| CA | N | H | H2 | 120.0° | 165.9° |
| N | CA | CB | C | 79.3° | 178.7° |
| N | CA | CB | HB1 | 160.6° | 60.4° |
| N | CA | CB | HB2 | 39.0° | 57.2° |
| CB | CA | N | H | 107.9° | 106.9° |
| CB | CA | N | H2 | 12.1° | 86.5° |
| CA | CB | C | HB1 | 120.0° | 121.1° |
| CA | CB | C | HB2 | 118.3° | 124.9° |
| CA | CB | HB1 | HB2 | 118.4° | 121.2° |
| CA | CB | C | OXT | 110.8° | 117.7° |
| CA | CB | C | O | 69.3° | 61.1° |
| HA | CA | N | H | 14.0° | 12.6° |
| HA | CA | N | H2 | 133.9° | 154.0° |
| HA | CA | CB | C | 40.1° | 60.0° |
| HA | CA | CB | HB1 | 79.9° | 58.3° |
| HA | CA | CB | HB2 | 158.5° | 175.9° |
| C | CB | HB1 | HB2 | 118.4° | 117.3° |
| CB | C | OXT | O | 179.9° | 178.8° |
| CB | C | OXT | HXT | 179.9° | 178.8° |
| HB1 | CB | C | OXT | 129.2° | 121.2° |
| HB1 | CB | C | O | 50.7° | 60.0° |
| HB2 | CB | C | OXT | 7.6° | 7.1° |
| HB2 | CB | C | O | 172.3° | 174.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
