HY3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.24Å | |
| C | CA | sing | 1.51Å | 1.47Å | |
| C | OXT | sing | 1.34Å | 1.43Å | |
| N | CA | sing | 1.49Å | 1.47Å | |
| N | C5 | sing | 1.49Å | 1.48Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C3 | sing | 1.54Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C3 | C4 | sing | 1.54Å | 1.50Å | |
| C3 | O2 | sing | 1.43Å | 1.45Å | |
| C3 | HB | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| C4 | HG | sing | 1.09Å | 1.10Å | |
| C4 | HGA | sing | 1.09Å | 1.10Å | |
| C5 | HD | sing | 1.09Å | 1.10Å | |
| C5 | HDA | sing | 1.09Å | 1.10Å | |
| O2 | HO1 | sing | 0.97Å | 0.95Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | CA | 119.8° | 120.1° |
| O | C | OXT | 120.1° | 119.9° |
| CA | C | OXT | 120.1° | 120.0° |
| C | CA | N | 110.2° | 110.4° |
| C | CA | C3 | 113.5° | 110.4° |
| C | CA | HA | 104.2° | 110.4° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | C5 | 111.4° | 104.2° |
| CA | N | H | 108.8° | 111.0° |
| N | CA | C3 | 102.3° | 104.6° |
| N | CA | HA | 115.1° | 110.4° |
| C5 | N | H | 108.9° | 111.0° |
| N | C5 | C4 | 102.3° | 104.6° |
| N | C5 | HD | 111.9° | 110.4° |
| N | C5 | HDA | 113.4° | 110.4° |
| C3 | CA | HA | 111.8° | 110.5° |
| CA | C3 | C4 | 103.6° | 105.0° |
| CA | C3 | O2 | 108.0° | 110.3° |
| CA | C3 | HB | 114.5° | 110.4° |
| C4 | C3 | O2 | 110.5° | 110.3° |
| C4 | C3 | HB | 112.1° | 110.3° |
| C3 | C4 | C5 | 101.8° | 105.1° |
| C3 | C4 | HG | 112.1° | 110.3° |
| C3 | C4 | HGA | 113.7° | 110.3° |
| O2 | C3 | HB | 108.0° | 110.4° |
| C3 | O2 | HO1 | 109.5° | 114.0° |
| C5 | C4 | HG | 112.1° | 110.3° |
| C5 | C4 | HGA | 113.7° | 110.3° |
| C4 | C5 | HD | 111.9° | 110.4° |
| C4 | C5 | HDA | 113.4° | 110.4° |
| HG | C4 | HGA | 103.7° | 110.4° |
| HD | C5 | HDA | 104.1° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | CA | OXT | 180.0° | 179.7° |
| O | C | CA | N | 17.5° | 18.6° |
| O | C | CA | C3 | 96.7° | 96.6° |
| O | C | CA | HA | 141.4° | 140.9° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | CA | N | C3 | 121.1° | 118.7° |
| C | CA | N | HA | 117.4° | 122.3° |
| C | CA | N | C5 | 113.0° | 158.3° |
| C | CA | N | H | 127.0° | 82.2° |
| C | CA | C3 | HA | 117.5° | 122.4° |
| C | CA | C3 | C4 | 87.0° | 142.6° |
| C | CA | C3 | O2 | 155.7° | 98.5° |
| C | CA | C3 | HB | 35.3° | 23.7° |
| CA | C | OXT | HXT | 180.0° | 179.7° |
| OXT | C | CA | N | 162.6° | 161.7° |
| OXT | C | CA | C3 | 83.3° | 83.1° |
| OXT | C | CA | HA | 38.6° | 39.4° |
| CA | N | C5 | H | 120.0° | 119.6° |
| N | CA | C3 | HA | 123.7° | 118.9° |
| N | CA | C3 | C4 | 31.7° | 23.9° |
| N | CA | C3 | O2 | 85.6° | 142.7° |
| N | CA | C3 | HB | 154.1° | 95.0° |
| CA | N | C5 | C4 | 18.0° | 39.5° |
| CA | N | C5 | HD | 102.0° | 79.3° |
| CA | N | C5 | HDA | 140.6° | 158.3° |
| C5 | N | CA | C3 | 8.1° | 39.5° |
| C5 | N | CA | HA | 129.6° | 79.4° |
| N | C5 | C4 | C3 | 37.2° | 23.8° |
| N | C5 | C4 | HD | 120.0° | 118.7° |
| N | C5 | C4 | HDA | 122.6° | 118.8° |
| N | C5 | C4 | HG | 82.9° | 95.1° |
| N | C5 | C4 | HGA | 159.9° | 142.7° |
| N | C5 | HD | HDA | 122.9° | 122.4° |
| H | N | CA | C3 | 111.9° | 159.1° |
| H | N | CA | HA | 9.6° | 40.1° |
| H | N | C5 | C4 | 138.0° | 159.0° |
| H | N | C5 | HD | 18.0° | 40.3° |
| H | N | C5 | HDA | 99.4° | 82.2° |
| CA | C3 | C4 | O2 | 115.5° | 118.8° |
| CA | C3 | C4 | HB | 123.9° | 118.9° |
| CA | C3 | O2 | HB | 124.3° | 122.2° |
| CA | C3 | C4 | C5 | 43.1° | 0.0° |
| CA | C3 | C4 | HG | 76.9° | 118.9° |
| CA | C3 | C4 | HGA | 165.8° | 118.9° |
| CA | C3 | O2 | HO1 | 99.5° | 180.0° |
| HA | CA | C3 | C4 | 155.4° | 95.0° |
| HA | CA | C3 | O2 | 38.1° | 23.8° |
| HA | CA | C3 | HB | 82.2° | 146.1° |
| C4 | C3 | O2 | HB | 122.9° | 122.2° |
| C3 | C4 | C5 | HG | 120.0° | 118.9° |
| C3 | C4 | C5 | HGA | 122.7° | 118.9° |
| C3 | C4 | HG | HGA | 123.1° | 122.2° |
| C3 | C4 | C5 | HD | 82.8° | 94.9° |
| C3 | C4 | C5 | HDA | 159.7° | 142.6° |
| C4 | C3 | O2 | HO1 | 13.3° | 64.4° |
| O2 | C3 | C4 | C5 | 72.4° | 118.9° |
| O2 | C3 | C4 | HG | 167.5° | 122.2° |
| O2 | C3 | C4 | HGA | 50.3° | 0.0° |
| HB | C3 | C4 | C5 | 167.0° | 118.9° |
| HB | C3 | C4 | HG | 47.0° | 0.0° |
| HB | C3 | C4 | HGA | 70.3° | 122.2° |
| HB | C3 | O2 | HO1 | 136.2° | 57.8° |
| C5 | C4 | HG | HGA | 123.1° | 122.2° |
| C4 | C5 | HD | HDA | 122.9° | 122.4° |
| HG | C4 | C5 | HD | 157.2° | 146.2° |
| HG | C4 | C5 | HDA | 39.7° | 23.7° |
| HGA | C4 | C5 | HD | 39.9° | 24.0° |
| HGA | C4 | C5 | HDA | 77.6° | 98.5° |
