HQA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.22Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| CA | C03 | sing | 1.53Å | 1.51Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C04 | C03 | sing | 1.51Å | 1.51Å | |
| C03 | H03 | sing | 1.09Å | 1.10Å | |
| C03 | H03A | sing | 1.09Å | 1.10Å | |
| C14 | C04 | doub | 1.37Å | 1.39Å | Aromatic |
| C05 | C04 | sing | 1.39Å | 1.39Å | Aromatic |
| N06 | C05 | doub | 1.31Å | 1.34Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C07 | N06 | sing | 1.34Å | 1.36Å | Aromatic |
| C08 | C07 | doub | 1.41Å | 1.39Å | Aromatic |
| C07 | C13 | sing | 1.42Å | 1.40Å | Aromatic |
| C10 | C08 | sing | 1.37Å | 1.40Å | Aromatic |
| O09 | C08 | sing | 1.36Å | 1.36Å | |
| O09 | HO09 | sing | 0.97Å | 0.95Å | |
| C10 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.36Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.40Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | C14 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | OXT | HXT | 109.5° | 117.1° |
| OXT | C | CA | 123.7° | 120.0° |
| OXT | C | O | 108.7° | 120.0° |
| CA | C | O | 123.4° | 120.0° |
| C | CA | N | 106.3° | 109.5° |
| C | CA | C03 | 105.5° | 109.4° |
| C | CA | HA | 113.6° | 109.5° |
| N | CA | C03 | 108.2° | 109.5° |
| N | CA | HA | 111.1° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C03 | CA | HA | 111.8° | 109.5° |
| CA | C03 | C04 | 117.7° | 109.5° |
| CA | C03 | H03 | 106.8° | 109.5° |
| CA | C03 | H03A | 104.9° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C04 | C03 | H03 | 106.8° | 109.5° |
| C04 | C03 | H03A | 104.9° | 109.5° |
| C03 | C04 | C14 | 123.2° | 120.0° |
| C03 | C04 | C05 | 116.9° | 120.0° |
| H03 | C03 | H03A | 116.1° | 109.5° |
| C14 | C04 | C05 | 119.8° | 120.0° |
| C04 | C14 | C13 | 119.2° | 118.1° |
| C04 | C14 | H14 | 120.4° | 121.0° |
| C04 | C05 | N06 | 120.1° | 121.7° |
| C04 | C05 | H05 | 120.0° | 119.1° |
| N06 | C05 | H05 | 119.9° | 119.1° |
| C05 | N06 | C07 | 121.5° | 121.3° |
| N06 | C07 | C08 | 119.2° | 121.1° |
| N06 | C07 | C13 | 120.5° | 119.9° |
| C08 | C07 | C13 | 120.3° | 119.0° |
| C07 | C08 | C10 | 120.2° | 119.7° |
| C07 | C08 | O09 | 118.4° | 120.1° |
| C07 | C13 | C12 | 119.5° | 119.6° |
| C07 | C13 | C14 | 118.8° | 119.0° |
| C10 | C08 | O09 | 121.4° | 120.2° |
| C08 | C10 | C11 | 119.7° | 121.0° |
| C08 | C10 | H10 | 120.2° | 119.6° |
| C08 | O09 | HO09 | 109.5° | 114.0° |
| C11 | C10 | H10 | 120.2° | 119.5° |
| C10 | C11 | C12 | 119.9° | 120.9° |
| C10 | C11 | H11 | 120.1° | 119.6° |
| C12 | C11 | H11 | 120.0° | 119.5° |
| C11 | C12 | C13 | 120.4° | 119.8° |
| C11 | C12 | H12 | 119.8° | 120.1° |
| C13 | C12 | H12 | 119.8° | 120.1° |
| C12 | C13 | C14 | 121.7° | 121.3° |
| C13 | C14 | H14 | 120.4° | 120.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| OXT | C | CA | O | 154.2° | 179.9° |
| OXT | C | CA | N | 162.6° | 160.0° |
| OXT | C | CA | C03 | 82.6° | 80.1° |
| OXT | C | CA | HA | 40.2° | 39.9° |
| HXT | OXT | C | CA | 157.4° | 180.0° |
| HXT | OXT | C | O | 0.0° | 0.1° |
| C | CA | N | C03 | 112.9° | 120.0° |
| C | CA | N | HA | 124.0° | 120.0° |
| C | CA | C03 | HA | 123.9° | 120.0° |
| C | CA | N | H | 19.1° | 60.0° |
| C | CA | N | H2 | 139.1° | 176.0° |
| C | CA | C03 | C04 | 171.6° | 175.0° |
| C | CA | C03 | H03 | 51.6° | 65.0° |
| C | CA | C03 | H03A | 72.2° | 55.0° |
| O | C | CA | N | 8.4° | 19.9° |
| O | C | CA | C03 | 123.2° | 100.0° |
| O | C | CA | HA | 114.0° | 140.0° |
| N | CA | C03 | HA | 122.7° | 120.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C03 | C04 | 58.1° | 65.0° |
| N | CA | C03 | H03 | 61.9° | 55.0° |
| N | CA | C03 | H03A | 174.3° | 175.0° |
| C03 | CA | N | H | 93.8° | 60.0° |
| C03 | CA | N | H2 | 26.2° | 64.0° |
| CA | C03 | C04 | H03 | 120.0° | 120.0° |
| CA | C03 | C04 | H03A | 116.1° | 120.0° |
| CA | C03 | H03 | H03A | 116.6° | 120.0° |
| CA | C03 | C04 | C14 | 69.3° | 90.3° |
| CA | C03 | C04 | C05 | 114.2° | 90.0° |
| HA | CA | N | H | 143.1° | 180.0° |
| HA | CA | N | H2 | 96.9° | 56.0° |
| HA | CA | C03 | C04 | 64.5° | 55.0° |
| HA | CA | C03 | H03 | 175.5° | 175.0° |
| HA | CA | C03 | H03A | 51.6° | 65.0° |
| C04 | C03 | H03 | H03A | 116.6° | 120.0° |
| C03 | C04 | C14 | C05 | 176.4° | 179.7° |
| C03 | C04 | C05 | N06 | 177.6° | 180.0° |
| C03 | C04 | C05 | H05 | 2.4° | 0.0° |
| C03 | C04 | C14 | C13 | 177.6° | 179.8° |
| C03 | C04 | C14 | H14 | 2.4° | 0.3° |
| H03 | C03 | C04 | C14 | 50.7° | 149.7° |
| H03 | C03 | C04 | C05 | 125.7° | 30.0° |
| H03A | C03 | C04 | C14 | 174.6° | 29.7° |
| H03A | C03 | C04 | C05 | 1.9° | 150.0° |
| C14 | C04 | C05 | N06 | 1.0° | 0.3° |
| C14 | C04 | C05 | H05 | 179.0° | 179.8° |
| C04 | C14 | C13 | C07 | 0.7° | 0.6° |
| C04 | C14 | C13 | C12 | 178.6° | 179.8° |
| C04 | C14 | C13 | H14 | 180.0° | 179.4° |
| C04 | C05 | N06 | H05 | 180.0° | 180.0° |
| C04 | C05 | N06 | C07 | 0.2° | 0.0° |
| C05 | C04 | C14 | C13 | 1.2° | 0.5° |
| C05 | C04 | C14 | H14 | 178.8° | 180.0° |
| C05 | N06 | C07 | C08 | 179.5° | 180.0° |
| C05 | N06 | C07 | C13 | 0.3° | 0.0° |
| H05 | C05 | N06 | C07 | 179.8° | 180.0° |
| N06 | C07 | C08 | C13 | 179.8° | 180.0° |
| N06 | C07 | C08 | C10 | 179.6° | 180.0° |
| N06 | C07 | C08 | O09 | 0.6° | 0.0° |
| N06 | C07 | C13 | C12 | 179.4° | 180.0° |
| N06 | C07 | C13 | C14 | 0.0° | 0.3° |
| C07 | C08 | C10 | O09 | 179.8° | 180.0° |
| C07 | C08 | O09 | HO09 | 130.0° | 90.0° |
| C07 | C08 | C10 | C11 | 0.1° | 0.0° |
| C07 | C08 | C10 | H10 | 179.9° | 180.0° |
| C08 | C07 | C13 | C12 | 0.4° | 0.0° |
| C08 | C07 | C13 | C14 | 179.8° | 179.7° |
| C13 | C07 | C08 | C10 | 0.2° | 0.0° |
| C13 | C07 | C08 | O09 | 179.6° | 180.0° |
| C07 | C13 | C12 | C11 | 0.4° | 0.0° |
| C07 | C13 | C12 | C14 | 179.4° | 179.7° |
| C07 | C13 | C12 | H12 | 179.6° | 180.0° |
| C07 | C13 | C14 | H14 | 179.3° | 180.0° |
| C10 | C08 | O09 | HO09 | 50.2° | 90.0° |
| C08 | C10 | C11 | H10 | 180.0° | 180.0° |
| C08 | C10 | C11 | C12 | 0.2° | 0.0° |
| C08 | C10 | C11 | H11 | 179.8° | 180.0° |
| O09 | C08 | C10 | C11 | 179.7° | 180.0° |
| O09 | C08 | C10 | H10 | 0.3° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.3° | 0.0° |
| C10 | C11 | C12 | H12 | 179.7° | 180.0° |
| H10 | C10 | C11 | C12 | 179.8° | 180.0° |
| H10 | C10 | C11 | H11 | 0.2° | 0.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 179.8° | 179.6° |
| H11 | C11 | C12 | C13 | 179.7° | 180.0° |
| H11 | C11 | C12 | H12 | 0.3° | 0.0° |
| C12 | C13 | C14 | H14 | 1.3° | 0.4° |
| H12 | C12 | C13 | C14 | 0.2° | 0.3° |
