HAO
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | N9 | sing | 1.37Å | 1.39Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C10 | N9 | sing | 1.35Å | 1.33Å | |
| C10 | CA | sing | 1.48Å | 1.50Å | |
| O11 | C10 | doub | 1.22Å | 1.23Å | |
| CA | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | CA | doub | 1.40Å | 1.39Å | Aromatic |
| C13 | C19 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | C17 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | O15 | sing | 1.36Å | 1.39Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| O15 | C15 | sing | 1.43Å | 1.43Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | doub | 1.39Å | 1.40Å | Aromatic |
| N20 | C19 | sing | 1.40Å | 1.37Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C21 | N20 | sing | 1.35Å | 1.35Å | |
| C21 | O22 | doub | 1.21Å | 1.22Å | |
| C | C21 | sing | 1.49Å | 1.38Å | |
| C | OXT | sing | 1.35Å | 1.43Å | |
| O | C | doub | 1.21Å | 1.24Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N9 | H10 | sing | 0.97Å | 1.00Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N9 | N | H | 109.5° | 111.0° |
| N | N9 | C10 | 120.1° | 120.0° |
| N9 | N | H2 | 109.5° | 111.0° |
| N | N9 | H10 | 119.9° | 120.0° |
| H | N | H2 | 109.5° | 111.0° |
| N9 | C10 | CA | 120.2° | 120.0° |
| N9 | C10 | O11 | 120.6° | 120.0° |
| C10 | N9 | H10 | 120.0° | 120.0° |
| CA | C10 | O11 | 119.1° | 120.0° |
| C10 | CA | C14 | 122.1° | 120.1° |
| C10 | CA | C13 | 117.6° | 120.1° |
| C14 | CA | C13 | 120.3° | 119.7° |
| CA | C14 | C17 | 118.5° | 119.8° |
| CA | C14 | O15 | 120.9° | 120.1° |
| CA | C13 | C19 | 121.6° | 119.8° |
| CA | C13 | H13 | 119.2° | 120.1° |
| C19 | C13 | H13 | 119.2° | 120.0° |
| C13 | C19 | C18 | 117.7° | 120.1° |
| C13 | C19 | N20 | 118.7° | 119.9° |
| C17 | C14 | O15 | 120.6° | 120.1° |
| C14 | C17 | H17 | 119.7° | 119.9° |
| C14 | C17 | C18 | 120.6° | 120.2° |
| C14 | O15 | C15 | 121.5° | 117.0° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.4° | 109.5° |
| H15 | C15 | O15 | 109.5° | 109.5° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | O15 | 109.5° | 109.5° |
| H15B | C15 | O15 | 109.5° | 109.4° |
| H17 | C17 | C18 | 119.7° | 119.9° |
| C17 | C18 | H18 | 119.4° | 119.9° |
| C17 | C18 | C19 | 121.3° | 120.3° |
| H18 | C18 | C19 | 119.4° | 119.9° |
| C18 | C19 | N20 | 123.5° | 119.9° |
| C19 | N20 | HN20 | 116.7° | 120.0° |
| C19 | N20 | C21 | 126.7° | 120.0° |
| HN20 | N20 | C21 | 116.7° | 120.0° |
| N20 | C21 | O22 | 121.7° | 120.0° |
| N20 | C21 | C | 115.9° | 120.0° |
| O22 | C21 | C | 114.6° | 120.0° |
| C21 | C | OXT | 118.7° | 120.0° |
| C21 | C | O | 122.6° | 120.0° |
| OXT | C | O | 118.7° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N9 | N | H | H2 | 120.0° | 124.0° |
| N | N9 | C10 | H10 | 180.0° | 180.0° |
| N | N9 | C10 | CA | 178.9° | 180.0° |
| N | N9 | C10 | O11 | 1.3° | 0.0° |
| H | N | N9 | C10 | 180.0° | 56.0° |
| H | N | N9 | H10 | 0.0° | 124.0° |
| N9 | C10 | CA | O11 | 177.6° | 180.0° |
| N9 | C10 | CA | C14 | 4.8° | 180.0° |
| N9 | C10 | CA | C13 | 173.4° | 0.3° |
| C10 | N9 | N | H2 | 60.0° | 180.0° |
| C10 | CA | C14 | C13 | 178.1° | 179.7° |
| C10 | CA | C13 | C19 | 178.9° | 180.0° |
| C10 | CA | C13 | H13 | 1.0° | 0.1° |
| C10 | CA | C14 | C17 | 179.0° | 180.0° |
| C10 | CA | C14 | O15 | 2.0° | 0.0° |
| CA | C10 | N9 | H10 | 1.1° | 0.0° |
| O11 | C10 | CA | C14 | 177.7° | 0.0° |
| O11 | C10 | CA | C13 | 4.2° | 179.7° |
| O11 | C10 | N9 | H10 | 178.7° | 180.0° |
| C14 | CA | C13 | C19 | 0.8° | 0.3° |
| C14 | CA | C13 | H13 | 179.2° | 179.8° |
| CA | C14 | C17 | O15 | 179.0° | 180.0° |
| CA | C14 | O15 | C15 | 177.9° | 180.0° |
| CA | C14 | C17 | H17 | 179.8° | 179.9° |
| CA | C14 | C17 | C18 | 0.2° | 0.0° |
| CA | C13 | C19 | H13 | 180.0° | 179.9° |
| C13 | CA | C14 | C17 | 0.9° | 0.3° |
| C13 | CA | C14 | O15 | 179.9° | 179.8° |
| CA | C13 | C19 | C18 | 0.0° | 0.0° |
| CA | C13 | C19 | N20 | 179.0° | 180.0° |
| C13 | C19 | C18 | C17 | 0.7° | 0.3° |
| C13 | C19 | C18 | H18 | 179.3° | 180.0° |
| C13 | C19 | C18 | N20 | 179.0° | 180.0° |
| C13 | C19 | N20 | HN20 | 37.7° | 35.1° |
| C13 | C19 | N20 | C21 | 142.3° | 144.9° |
| H13 | C13 | C19 | C18 | 180.0° | 179.9° |
| H13 | C13 | C19 | N20 | 1.0° | 0.1° |
| C17 | C14 | O15 | C15 | 1.1° | 0.1° |
| C14 | C17 | H17 | C18 | 180.0° | 179.9° |
| C14 | C17 | C18 | H18 | 179.4° | 180.0° |
| C14 | C17 | C18 | C19 | 0.6° | 0.3° |
| C14 | O15 | C15 | H15 | 180.0° | 60.0° |
| C14 | O15 | C15 | H15A | 60.0° | 180.0° |
| C14 | O15 | C15 | H15B | 60.0° | 60.1° |
| O15 | C14 | C17 | H17 | 0.8° | 0.1° |
| O15 | C14 | C17 | C18 | 179.3° | 180.0° |
| H15 | C15 | H15A | H15B | 120.0° | 120.0° |
| H15 | C15 | H15A | O15 | 120.0° | 120.1° |
| H15 | C15 | H15B | O15 | 120.0° | 120.1° |
| H15A | C15 | H15B | O15 | 120.0° | 120.0° |
| H17 | C17 | C18 | H18 | 0.6° | 0.0° |
| H17 | C17 | C18 | C19 | 179.4° | 179.7° |
| C17 | C18 | H18 | C19 | 180.0° | 179.7° |
| C17 | C18 | C19 | N20 | 178.3° | 179.7° |
| H18 | C18 | C19 | N20 | 1.7° | 0.1° |
| C18 | C19 | N20 | HN20 | 143.4° | 144.8° |
| C18 | C19 | N20 | C21 | 36.7° | 35.1° |
| C19 | N20 | HN20 | C21 | 180.0° | 180.0° |
| C19 | N20 | C21 | O22 | 20.1° | 4.6° |
| C19 | N20 | C21 | C | 167.5° | 175.4° |
| HN20 | N20 | C21 | O22 | 159.9° | 175.4° |
| HN20 | N20 | C21 | C | 12.5° | 4.6° |
| N20 | C21 | O22 | C | 147.8° | 180.0° |
| N20 | C21 | C | OXT | 177.1° | 180.0° |
| N20 | C21 | C | O | 2.9° | 0.0° |
| O22 | C21 | C | OXT | 27.4° | 0.0° |
| O22 | C21 | C | O | 152.6° | 180.0° |
| C21 | C | OXT | O | 180.0° | 180.0° |
| C21 | C | OXT | HXT | 180.0° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| H2 | N | N9 | H10 | 120.0° | 0.0° |
