3BY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD | N | sing | 1.48Å | 1.52Å | |
| CD | CG | sing | 1.55Å | 1.39Å | |
| N | CN | sing | 1.47Å | 1.48Å | |
| N | CA | sing | 1.47Å | 1.43Å | |
| CG | CB | sing | 1.55Å | 1.49Å | |
| CA | CB | sing | 1.54Å | 1.50Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| CB | HB3 | sing | 1.09Å | 1.10Å | |
| CB | HB2 | sing | 1.09Å | 1.10Å | |
| CG | HG3 | sing | 1.09Å | 1.10Å | |
| CG | HG2 | sing | 1.09Å | 1.10Å | |
| CD | HD3 | sing | 1.09Å | 1.10Å | |
| CD | HD2 | sing | 1.09Å | 1.10Å | |
| CN | HN1 | sing | 1.09Å | 1.10Å | |
| CN | HN2 | sing | 1.09Å | 1.10Å | |
| CN | HN3 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N | CD | CG | 100.9° | 104.8° |
| CD | N | CN | 106.5° | 111.0° |
| CD | N | CA | 106.3° | 108.6° |
| N | CD | HD3 | 111.6° | 110.4° |
| N | CD | HD2 | 111.6° | 110.4° |
| CD | CG | CB | 107.4° | 101.7° |
| CD | CG | HG3 | 110.0° | 111.0° |
| CD | CG | HG2 | 110.0° | 111.0° |
| CG | CD | HD3 | 111.6° | 110.3° |
| CG | CD | HD2 | 111.6° | 110.4° |
| CN | N | CA | 113.6° | 111.0° |
| N | CN | HN1 | 109.5° | 109.4° |
| N | CN | HN2 | 109.5° | 109.4° |
| N | CN | HN3 | 109.5° | 109.4° |
| N | CA | CB | 94.8° | 107.2° |
| N | CA | C | 119.3° | 109.9° |
| N | CA | HA | 112.8° | 110.0° |
| CG | CB | CA | 106.8° | 103.0° |
| CG | CB | HB3 | 110.2° | 110.7° |
| CG | CB | HB2 | 110.1° | 110.9° |
| CB | CG | HG3 | 110.0° | 111.0° |
| CB | CG | HG2 | 110.0° | 111.0° |
| CB | CA | C | 105.6° | 109.9° |
| CB | CA | HA | 111.6° | 109.9° |
| CA | CB | HB3 | 110.1° | 110.7° |
| CA | CB | HB2 | 110.2° | 110.7° |
| CA | C | O | 116.8° | 120.0° |
| CA | C | OXT | 115.8° | 120.0° |
| C | CA | HA | 111.1° | 109.9° |
| O | C | OXT | 125.5° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| HB3 | CB | HB2 | 109.5° | 110.7° |
| HG3 | CG | HG2 | 109.5° | 110.9° |
| HD3 | CD | HD2 | 109.5° | 110.4° |
| HN1 | CN | HN2 | 109.5° | 109.5° |
| HN1 | CN | HN3 | 109.5° | 109.5° |
| HN2 | CN | HN3 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N | CD | CG | HD3 | 118.6° | 118.9° |
| N | CD | CG | HD2 | 118.6° | 118.8° |
| CD | N | CN | CA | 116.7° | 120.8° |
| N | CD | CG | CB | 15.2° | 37.1° |
| CD | N | CA | CB | 48.0° | 1.0° |
| CD | N | CA | C | 158.9° | 118.4° |
| CD | N | CA | HA | 67.9° | 120.5° |
| N | CD | CG | HG3 | 134.8° | 155.2° |
| N | CD | CG | HG2 | 104.5° | 81.0° |
| N | CD | HD3 | HD2 | 124.0° | 122.4° |
| CD | N | CN | HN1 | 180.0° | 69.4° |
| CD | N | CN | HN2 | 60.0° | 170.7° |
| CD | N | CN | HN3 | 60.0° | 50.6° |
| CG | CD | N | CN | 79.2° | 146.3° |
| CG | CD | N | CA | 42.3° | 24.1° |
| CD | CG | CB | HG3 | 119.7° | 118.1° |
| CD | CG | CB | HG2 | 119.7° | 118.1° |
| CD | CG | CB | CA | 14.0° | 35.6° |
| CD | CG | CB | HB3 | 133.6° | 82.7° |
| CD | CG | CB | HB2 | 105.6° | 154.1° |
| CD | CG | HG3 | HG2 | 121.0° | 123.9° |
| CG | CD | HD3 | HD2 | 124.0° | 122.3° |
| CN | N | CA | CB | 68.8° | 123.3° |
| CN | N | CA | C | 42.1° | 3.9° |
| CN | N | CA | HA | 175.4° | 117.3° |
| CN | N | CD | HD3 | 162.2° | 27.5° |
| CN | N | CD | HD2 | 39.4° | 94.9° |
| N | CN | HN1 | HN2 | 120.0° | 119.9° |
| N | CN | HN1 | HN3 | 120.0° | 120.0° |
| N | CN | HN2 | HN3 | 120.0° | 120.0° |
| N | CA | CB | CG | 37.7° | 22.3° |
| N | CA | CB | C | 122.3° | 119.4° |
| N | CA | CB | HA | 116.8° | 119.6° |
| N | CA | C | HA | 133.9° | 121.2° |
| N | CA | C | O | 4.5° | 51.4° |
| N | CA | C | OXT | 170.1° | 128.2° |
| N | CA | CB | HB3 | 157.3° | 96.1° |
| N | CA | CB | HB2 | 81.9° | 140.8° |
| CA | N | CD | HD3 | 76.3° | 94.7° |
| CA | N | CD | HD2 | 160.9° | 142.9° |
| CA | N | CN | HN1 | 63.3° | 169.8° |
| CA | N | CN | HN2 | 56.7° | 49.8° |
| CA | N | CN | HN3 | 176.7° | 70.2° |
| CG | CB | CA | HB3 | 119.6° | 118.3° |
| CG | CB | CA | HB2 | 119.5° | 118.6° |
| CG | CB | CA | C | 159.9° | 141.7° |
| CG | CB | CA | HA | 79.2° | 97.3° |
| CG | CB | HB3 | HB2 | 121.2° | 123.3° |
| CB | CG | HG3 | HG2 | 121.0° | 123.8° |
| CB | CG | CD | HD3 | 103.4° | 81.8° |
| CB | CG | CD | HD2 | 133.8° | 155.9° |
| CB | CA | C | HA | 121.2° | 121.1° |
| CB | CA | C | O | 100.4° | 66.3° |
| CB | CA | C | OXT | 65.2° | 114.1° |
| CA | CB | HB3 | HB2 | 121.3° | 123.1° |
| CA | CB | CG | HG3 | 105.7° | 153.7° |
| CA | CB | CG | HG2 | 133.7° | 82.5° |
| CA | C | O | OXT | 164.0° | 179.6° |
| CA | C | OXT | HXT | 164.2° | 179.8° |
| C | CA | CB | HB3 | 80.5° | 23.3° |
| C | CA | CB | HB2 | 40.4° | 99.8° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| O | C | CA | HA | 138.4° | 172.6° |
| OXT | C | CA | HA | 56.0° | 7.0° |
| HA | CA | CB | HB3 | 40.4° | 144.4° |
| HA | CA | CB | HB2 | 161.3° | 21.3° |
| HB3 | CB | CG | HG3 | 13.9° | 35.4° |
| HB3 | CB | CG | HG2 | 106.7° | 159.1° |
| HB2 | CB | CG | HG3 | 134.7° | 87.8° |
| HB2 | CB | CG | HG2 | 14.1° | 35.9° |
| HG3 | CG | CD | HD3 | 16.2° | 36.3° |
| HG3 | CG | CD | HD2 | 106.6° | 86.0° |
| HG2 | CG | CD | HD3 | 136.9° | 160.1° |
| HG2 | CG | CD | HD2 | 14.1° | 37.8° |
| HN1 | CN | HN2 | HN3 | 120.0° | 120.1° |
