B3K
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.46Å | |
| N | H | sing | 0.99Å | 1.00Å | |
| N | H2 | sing | 0.99Å | 1.00Å | |
| CA | CG | sing | 1.54Å | 1.51Å | |
| CA | CB | sing | 1.54Å | 1.52Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CG | CD | sing | 1.54Å | 1.51Å | |
| CG | HG2 | sing | 1.10Å | 1.10Å | |
| CG | HG3 | sing | 1.10Å | 1.10Å | |
| CD | CE | sing | 1.53Å | 1.52Å | |
| CD | HD2 | sing | 1.10Å | 1.10Å | |
| CD | HD3 | sing | 1.10Å | 1.10Å | |
| CE | CF | sing | 1.53Å | 1.50Å | |
| CE | HE2 | sing | 1.10Å | 1.10Å | |
| CE | HE3 | sing | 1.10Å | 1.10Å | |
| CF | NZ | sing | 1.46Å | 1.45Å | |
| CF | HF1 | sing | 1.10Å | 1.10Å | |
| CF | HF2 | sing | 1.10Å | 1.10Å | |
| NZ | HNZ1 | sing | 1.00Å | 1.00Å | |
| NZ | HNZ2 | sing | 1.00Å | 1.00Å | |
| CB | C | sing | 1.51Å | 1.52Å | |
| CB | HB1 | sing | 1.10Å | 1.10Å | |
| CB | HB2 | sing | 1.10Å | 1.10Å | |
| C | OXT | sing | 1.36Å | 1.33Å | |
| 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 | N | H | 109.5° | 117.7° |
| CA | N | H2 | 109.5° | 117.7° |
| N | CA | CG | 109.1° | 109.7° |
| N | CA | CB | 116.2° | 109.0° |
| N | CA | HA | 103.8° | 108.1° |
| H | N | H2 | 109.5° | 123.1° |
| CG | CA | CB | 105.2° | 111.4° |
| CG | CA | HA | 115.1° | 109.5° |
| CA | CG | CD | 112.7° | 115.4° |
| CA | CG | HG2 | 108.4° | 109.6° |
| CA | CG | HG3 | 107.7° | 109.3° |
| CB | CA | HA | 107.8° | 109.0° |
| CA | CB | C | 112.7° | 112.9° |
| CA | CB | HB1 | 108.4° | 110.3° |
| CA | CB | HB2 | 107.7° | 109.9° |
| CD | CG | HG2 | 108.4° | 108.2° |
| CD | CG | HG3 | 107.7° | 107.9° |
| CG | CD | CE | 110.2° | 113.5° |
| CG | CD | HD2 | 109.2° | 110.2° |
| CG | CD | HD3 | 109.0° | 107.9° |
| HG2 | CG | HG3 | 112.0° | 106.0° |
| CE | CD | HD2 | 109.2° | 109.7° |
| CE | CD | HD3 | 109.1° | 109.0° |
| CD | CE | CF | 113.5° | 111.1° |
| CD | CE | HE2 | 108.1° | 110.0° |
| CD | CE | HE3 | 107.3° | 109.4° |
| HD2 | CD | HD3 | 110.1° | 106.3° |
| CF | CE | HE2 | 108.2° | 109.2° |
| CF | CE | HE3 | 107.2° | 109.8° |
| CE | CF | NZ | 109.4° | 110.3° |
| CE | CF | HF1 | 109.5° | 110.3° |
| CE | CF | HF2 | 109.5° | 110.0° |
| HE2 | CE | HE3 | 112.6° | 107.2° |
| NZ | CF | HF1 | 109.5° | 109.3° |
| NZ | CF | HF2 | 109.5° | 109.0° |
| CF | NZ | HNZ1 | 109.5° | 118.2° |
| CF | NZ | HNZ2 | 109.4° | 118.2° |
| HF1 | CF | HF2 | 109.5° | 107.8° |
| HNZ1 | NZ | HNZ2 | 109.5° | 122.2° |
| C | CB | HB1 | 108.4° | 106.5° |
| C | CB | HB2 | 107.7° | 108.9° |
| CB | C | OXT | 116.5° | 110.1° |
| CB | C | O | 119.8° | 126.1° |
| HB1 | CB | HB2 | 112.0° | 108.2° |
| OXT | C | O | 123.7° | 123.7° |
| C | OXT | HXT | 109.5° | 111.8° |
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 | 125.3° | 120.9° |
| N | CA | CG | HA | 116.2° | 118.4° |
| N | CA | CB | HA | 116.0° | 117.8° |
| N | CA | CG | CD | 58.1° | 61.5° |
| N | CA | CG | HG2 | 178.1° | 60.9° |
| N | CA | CG | HG3 | 60.5° | 176.6° |
| N | CA | CB | C | 80.2° | 177.8° |
| N | CA | CB | HB1 | 159.8° | 63.2° |
| N | CA | CB | HB2 | 38.4° | 56.0° |
| H | N | CA | CG | 155.5° | 66.9° |
| H | N | CA | CB | 85.9° | 55.4° |
| H | N | CA | HA | 32.3° | 173.8° |
| H2 | N | CA | CG | 84.5° | 126.5° |
| H2 | N | CA | CB | 34.1° | 111.2° |
| H2 | N | CA | HA | 152.3° | 7.2° |
| CG | CA | CB | HA | 123.3° | 121.0° |
| CA | CG | CD | HG2 | 120.0° | 123.1° |
| CA | CG | CD | HG3 | 118.6° | 122.6° |
| CA | CG | HG2 | HG3 | 118.7° | 117.9° |
| CA | CG | CD | CE | 134.7° | 176.9° |
| CA | CG | CD | HD2 | 14.7° | 59.6° |
| CA | CG | CD | HD3 | 105.6° | 56.1° |
| CG | CA | CB | C | 159.0° | 61.0° |
| CG | CA | CB | HB1 | 39.0° | 58.1° |
| CG | CA | CB | HB2 | 82.4° | 177.3° |
| CB | CA | CG | CD | 176.6° | 177.6° |
| CB | CA | CG | HG2 | 56.6° | 60.0° |
| CB | CA | CG | HG3 | 64.8° | 55.8° |
| CA | CB | C | HB1 | 120.0° | 121.2° |
| CA | CB | C | HB2 | 118.6° | 122.3° |
| CA | CB | HB1 | HB2 | 118.7° | 120.2° |
| CA | CB | C | OXT | 107.2° | 149.4° |
| CA | CB | C | O | 72.9° | 28.8° |
| HA | CA | CG | CD | 58.1° | 56.9° |
| HA | CA | CG | HG2 | 61.9° | 179.4° |
| HA | CA | CG | HG3 | 176.7° | 64.9° |
| HA | CA | CB | C | 35.8° | 60.0° |
| HA | CA | CB | HB1 | 84.2° | 179.1° |
| HA | CA | CB | HB2 | 154.4° | 61.7° |
| CD | CG | HG2 | HG3 | 118.7° | 115.5° |
| CG | CD | CE | HD2 | 120.0° | 123.8° |
| CG | CD | CE | HD3 | 119.7° | 120.2° |
| CG | CD | HD2 | HD3 | 119.7° | 116.6° |
| CG | CD | CE | CF | 98.5° | 179.0° |
| CG | CD | CE | HE2 | 21.5° | 59.9° |
| CG | CD | CE | HE3 | 143.3° | 57.7° |
| HG2 | CG | CD | CE | 105.3° | 59.9° |
| HG2 | CG | CD | HD2 | 134.7° | 63.6° |
| HG2 | CG | CD | HD3 | 14.4° | 179.2° |
| HG3 | CG | CD | CE | 16.1° | 54.3° |
| HG3 | CG | CD | HD2 | 103.9° | 177.8° |
| HG3 | CG | CD | HD3 | 135.8° | 66.5° |
| CE | CD | HD2 | HD3 | 119.7° | 117.7° |
| CD | CE | CF | HE2 | 120.0° | 121.5° |
| CD | CE | CF | HE3 | 118.3° | 121.2° |
| CD | CE | HE2 | HE3 | 118.4° | 118.9° |
| CD | CE | CF | NZ | 162.2° | 179.2° |
| CD | CE | CF | HF1 | 42.2° | 59.9° |
| CD | CE | CF | HF2 | 77.8° | 58.9° |
| HD2 | CD | CE | CF | 141.5° | 57.2° |
| HD2 | CD | CE | HE2 | 98.5° | 63.8° |
| HD2 | CD | CE | HE3 | 23.3° | 178.6° |
| HD3 | CD | CE | CF | 21.2° | 58.8° |
| HD3 | CD | CE | HE2 | 141.2° | 179.9° |
| HD3 | CD | CE | HE3 | 97.1° | 62.5° |
| CF | CE | HE2 | HE3 | 118.3° | 118.9° |
| CE | CF | NZ | HF1 | 120.0° | 121.5° |
| CE | CF | NZ | HF2 | 120.0° | 120.9° |
| CE | CF | HF1 | HF2 | 120.0° | 120.2° |
| CE | CF | NZ | HNZ1 | 100.5° | 88.0° |
| CE | CF | NZ | HNZ2 | 19.5° | 78.5° |
| HE2 | CE | CF | NZ | 77.8° | 57.7° |
| HE2 | CE | CF | HF1 | 162.2° | 178.5° |
| HE2 | CE | CF | HF2 | 42.2° | 62.6° |
| HE3 | CE | CF | NZ | 44.0° | 59.6° |
| HE3 | CE | CF | HF1 | 76.1° | 61.2° |
| HE3 | CE | CF | HF2 | 164.0° | 179.9° |
| NZ | CF | HF1 | HF2 | 120.0° | 118.3° |
| CF | NZ | HNZ1 | HNZ2 | 120.0° | 166.0° |
| HF1 | CF | NZ | HNZ1 | 19.5° | 33.4° |
| HF1 | CF | NZ | HNZ2 | 139.5° | 160.0° |
| HF2 | CF | NZ | HNZ1 | 139.5° | 151.0° |
| HF2 | CF | NZ | HNZ2 | 100.5° | 42.4° |
| C | CB | HB1 | HB2 | 118.7° | 116.9° |
| CB | C | OXT | O | 179.9° | 178.3° |
| CB | C | OXT | HXT | 179.9° | 178.3° |
| HB1 | CB | C | OXT | 132.8° | 28.2° |
| HB1 | CB | C | O | 47.1° | 150.0° |
| HB2 | CB | C | OXT | 11.4° | 88.3° |
| HB2 | CB | C | O | 168.5° | 93.5° |
| O | C | OXT | HXT | 0.0° | 0.0° |
