B3E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | H2 | sing | 0.99Å | 1.00Å | |
| CA | CG | sing | 1.54Å | 1.52Å | |
| CA | CB | sing | 1.54Å | 1.50Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CG | CD | sing | 1.53Å | 1.53Å | |
| CG | HG2 | sing | 1.10Å | 1.10Å | |
| CG | HG3 | sing | 1.10Å | 1.10Å | |
| CD | CE | sing | 1.51Å | 1.53Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.10Å | 1.10Å | |
| CE | OF2 | doub | 1.22Å | 1.25Å | |
| CE | OF1 | sing | 1.36Å | 1.29Å | |
| OF1 | HOF1 | sing | 0.98Å | 0.95Å | |
| CB | C | sing | 1.51Å | 1.49Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| C | OXT | sing | 1.36Å | 1.34Å | |
| C | O | doub | 1.22Å | 1.21Å | |
| 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° | 117.9° |
| CA | N | H2 | 109.5° | 117.7° |
| N | CA | CG | 109.3° | 110.0° |
| N | CA | CB | 109.9° | 108.9° |
| N | CA | HA | 108.8° | 107.8° |
| H | N | H2 | 109.5° | 123.0° |
| CG | CA | CB | 108.0° | 111.5° |
| CG | CA | HA | 110.7° | 109.3° |
| CA | CG | CD | 110.0° | 114.4° |
| CA | CG | HG2 | 109.3° | 109.7° |
| CA | CG | HG3 | 109.2° | 109.2° |
| CB | CA | HA | 110.1° | 109.2° |
| CA | CB | C | 113.1° | 112.5° |
| CA | CB | HB1 | 108.3° | 111.3° |
| CA | CB | HB2 | 107.5° | 111.0° |
| CD | CG | HG2 | 109.3° | 108.8° |
| CD | CG | HG3 | 109.2° | 108.2° |
| CG | CD | CE | 113.3° | 113.1° |
| CG | CD | HD2 | 108.2° | 110.5° |
| CG | CD | HD3 | 107.3° | 108.6° |
| HG2 | CG | HG3 | 109.8° | 106.3° |
| CE | CD | HD2 | 108.2° | 109.1° |
| CE | CD | HD3 | 107.3° | 107.0° |
| CD | CE | OF2 | 115.5° | 125.6° |
| CD | CE | OF1 | 120.3° | 111.4° |
| HD2 | CD | HD3 | 112.5° | 108.3° |
| OF2 | CE | OF1 | 124.2° | 123.0° |
| CE | OF1 | HOF1 | 109.5° | 115.0° |
| C | CB | HB1 | 108.3° | 107.2° |
| C | CB | HB2 | 107.5° | 108.2° |
| CB | C | OXT | 117.3° | 111.3° |
| CB | C | O | 117.6° | 124.7° |
| HB1 | CB | HB2 | 112.4° | 106.3° |
| OXT | C | O | 125.0° | 124.1° |
| C | OXT | HXT | 109.5° | 111.9° |
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 | CB | 119.5° | 121.0° |
| N | CA | CG | HA | 119.9° | 118.2° |
| N | CA | CB | HA | 119.9° | 117.5° |
| N | CA | CG | CD | 125.3° | 58.1° |
| N | CA | CG | HG2 | 5.3° | 64.4° |
| N | CA | CG | HG3 | 114.9° | 179.6° |
| N | CA | CB | C | 84.0° | 177.5° |
| N | CA | CB | HB1 | 156.0° | 62.1° |
| N | CA | CB | HB2 | 34.4° | 56.2° |
| H | N | CA | CG | 149.7° | 169.7° |
| H | N | CA | CB | 91.9° | 67.8° |
| H | N | CA | HA | 28.7° | 50.6° |
| H2 | N | CA | CG | 90.2° | 3.1° |
| H2 | N | CA | CB | 28.1° | 125.6° |
| H2 | N | CA | HA | 148.7° | 116.0° |
| CG | CA | CB | HA | 121.0° | 120.9° |
| CA | CG | CD | HG2 | 120.0° | 123.0° |
| CA | CG | CD | HG3 | 119.8° | 122.0° |
| CA | CG | HG2 | HG3 | 119.8° | 118.0° |
| CA | CG | CD | CE | 127.6° | 177.0° |
| CA | CG | CD | HD2 | 112.4° | 60.3° |
| CA | CG | CD | HD3 | 9.3° | 58.4° |
| CG | CA | CB | C | 156.8° | 60.9° |
| CG | CA | CB | HB1 | 36.8° | 59.5° |
| CG | CA | CB | HB2 | 84.8° | 177.8° |
| CB | CA | CG | CD | 115.1° | 179.1° |
| CB | CA | CG | HG2 | 124.9° | 56.6° |
| CB | CA | CG | HG3 | 4.7° | 59.5° |
| CA | CB | C | HB1 | 120.0° | 122.7° |
| CA | CB | C | HB2 | 118.4° | 123.0° |
| CA | CB | HB1 | HB2 | 118.5° | 121.0° |
| CA | CB | C | OXT | 116.5° | 153.2° |
| CA | CB | C | O | 64.8° | 27.3° |
| HA | CA | CG | CD | 5.5° | 60.0° |
| HA | CA | CG | HG2 | 114.6° | 177.5° |
| HA | CA | CG | HG3 | 125.3° | 61.4° |
| HA | CA | CB | C | 35.8° | 60.1° |
| HA | CA | CB | HB1 | 84.1° | 179.6° |
| HA | CA | CB | HB2 | 154.3° | 61.3° |
| CD | CG | HG2 | HG3 | 119.8° | 116.3° |
| CG | CD | CE | HD2 | 120.0° | 123.5° |
| CG | CD | CE | HD3 | 118.3° | 119.5° |
| CG | CD | HD2 | HD3 | 118.4° | 118.8° |
| CG | CD | CE | OF2 | 12.3° | 3.5° |
| CG | CD | CE | OF1 | 168.9° | 175.3° |
| HG2 | CG | CD | CE | 7.6° | 60.0° |
| HG2 | CG | CD | HD2 | 127.6° | 62.7° |
| HG2 | CG | CD | HD3 | 110.7° | 178.7° |
| HG3 | CG | CD | CE | 112.6° | 55.0° |
| HG3 | CG | CD | HD2 | 7.4° | 177.7° |
| HG3 | CG | CD | HD3 | 129.1° | 63.6° |
| CE | CD | HD2 | HD3 | 118.4° | 116.2° |
| CD | CE | OF2 | OF1 | 178.8° | 178.7° |
| CD | CE | OF1 | HOF1 | 178.8° | 178.8° |
| HD2 | CD | CE | OF2 | 107.7° | 119.9° |
| HD2 | CD | CE | OF1 | 71.1° | 61.2° |
| HD3 | CD | CE | OF2 | 130.6° | 123.1° |
| HD3 | CD | CE | OF1 | 50.6° | 55.8° |
| OF2 | CE | OF1 | HOF1 | 0.0° | 0.1° |
| C | CB | HB1 | HB2 | 118.5° | 115.5° |
| CB | C | OXT | O | 178.6° | 179.5° |
| CB | C | OXT | HXT | 178.6° | 179.5° |
| HB1 | CB | C | OXT | 123.5° | 30.5° |
| HB1 | CB | C | O | 55.2° | 150.0° |
| HB2 | CB | C | OXT | 1.9° | 83.8° |
| HB2 | CB | C | O | 176.8° | 95.7° |
| O | C | OXT | HXT | 0.0° | 0.1° |
