PUK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N | CA | sing | 1.47Å | 1.47Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| CA | C2 | sing | 1.53Å | 1.54Å | |
| CA | C3 | sing | 1.53Å | 1.53Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| C2 | N2 | sing | 1.47Å | 1.46Å | |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C6 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| N2 | C10 | sing | 1.47Å | 1.47Å | |
| N2 | H12 | sing | 1.01Å | 1.00Å | |
| C10 | C | sing | 1.51Å | 1.54Å | |
| C10 | C12 | sing | 1.53Å | 1.55Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C | O | doub | 1.21Å | 1.25Å | |
| C | OXT | sing | 1.34Å | 1.32Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C14 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H16 | sing | 1.08Å | 1.08Å | |
| C15 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | C18 | doub | 1.38Å | 1.40Å | Aromatic |
| C16 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H20 | sing | 1.08Å | 1.08Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CA | N | H | 109.5° | 111.0° |
| N | CA | C2 | 112.4° | 109.5° |
| N | CA | C3 | 109.6° | 109.5° |
| N | CA | HA | 107.5° | 109.4° |
| CA | N | H2 | 109.5° | 111.0° |
| H | N | H2 | 109.5° | 111.0° |
| C2 | CA | C3 | 110.0° | 109.5° |
| C2 | CA | HA | 107.1° | 109.5° |
| CA | C2 | H3 | 109.2° | 109.5° |
| CA | C2 | H4 | 109.3° | 109.5° |
| CA | C2 | N2 | 110.1° | 109.5° |
| C3 | CA | HA | 110.1° | 109.4° |
| CA | C3 | C4 | 118.5° | 109.5° |
| CA | C3 | H5 | 106.6° | 109.5° |
| CA | C3 | H6 | 106.6° | 109.4° |
| H3 | C2 | H4 | 109.7° | 109.5° |
| H3 | C2 | N2 | 109.2° | 109.4° |
| H4 | C2 | N2 | 109.2° | 109.5° |
| C2 | N2 | C10 | 114.0° | 111.0° |
| C2 | N2 | H12 | 108.0° | 110.9° |
| C4 | C3 | H5 | 106.5° | 109.5° |
| C4 | C3 | H6 | 106.6° | 109.5° |
| C3 | C4 | C5 | 121.5° | 120.0° |
| C3 | C4 | C6 | 118.5° | 120.0° |
| H5 | C3 | H6 | 112.2° | 109.5° |
| C5 | C4 | C6 | 120.0° | 120.0° |
| C4 | C5 | C7 | 121.0° | 120.0° |
| C4 | C5 | H7 | 119.5° | 120.0° |
| C4 | C6 | C8 | 120.2° | 120.0° |
| C4 | C6 | H8 | 119.9° | 120.0° |
| C7 | C5 | H7 | 119.5° | 120.0° |
| C5 | C7 | C9 | 117.9° | 120.0° |
| C5 | C7 | H9 | 121.0° | 120.0° |
| C8 | C6 | H8 | 119.9° | 120.0° |
| C6 | C8 | C9 | 118.1° | 120.0° |
| C6 | C8 | H10 | 120.9° | 120.0° |
| C9 | C7 | H9 | 121.0° | 120.0° |
| C7 | C9 | C8 | 122.8° | 120.0° |
| C7 | C9 | H11 | 118.6° | 120.0° |
| C9 | C8 | H10 | 121.0° | 120.1° |
| C8 | C9 | H11 | 118.6° | 120.0° |
| C10 | N2 | H12 | 108.0° | 111.0° |
| N2 | C10 | C | 110.5° | 109.5° |
| N2 | C10 | C12 | 110.5° | 109.4° |
| N2 | C10 | H13 | 109.2° | 109.5° |
| C | C10 | C12 | 112.8° | 109.5° |
| C | C10 | H13 | 106.8° | 109.5° |
| C10 | C | O | 120.7° | 120.0° |
| C10 | C | OXT | 113.8° | 120.0° |
| C12 | C10 | H13 | 106.8° | 109.5° |
| C10 | C12 | C13 | 111.7° | 109.4° |
| C10 | C12 | H14 | 108.7° | 109.4° |
| C10 | C12 | H15 | 108.7° | 109.4° |
| O | C | OXT | 125.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| C13 | C12 | H14 | 108.7° | 109.5° |
| C13 | C12 | H15 | 108.8° | 109.5° |
| C12 | C13 | C14 | 119.5° | 120.0° |
| C12 | C13 | C15 | 121.5° | 120.0° |
| H14 | C12 | H15 | 110.2° | 109.4° |
| C14 | C13 | C15 | 118.9° | 120.0° |
| C13 | C14 | C16 | 120.7° | 120.0° |
| C13 | C14 | H16 | 119.7° | 120.0° |
| C13 | C15 | C17 | 122.1° | 120.0° |
| C13 | C15 | H17 | 118.9° | 120.0° |
| C16 | C14 | H16 | 119.6° | 120.0° |
| C14 | C16 | C18 | 119.3° | 119.9° |
| C14 | C16 | H18 | 120.4° | 120.0° |
| C17 | C15 | H17 | 118.9° | 120.0° |
| C15 | C17 | C18 | 117.6° | 120.0° |
| C15 | C17 | H19 | 121.2° | 120.0° |
| C18 | C16 | H18 | 120.3° | 120.0° |
| C16 | C18 | C17 | 121.3° | 120.0° |
| C16 | C18 | H20 | 119.3° | 119.9° |
| C18 | C17 | H19 | 121.2° | 120.0° |
| C17 | C18 | H20 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C2 | C3 | 122.4° | 120.0° |
| N | CA | C2 | HA | 117.9° | 120.0° |
| N | CA | C3 | HA | 118.1° | 119.9° |
| N | CA | C2 | H3 | 178.7° | 175.0° |
| N | CA | C2 | H4 | 61.2° | 65.0° |
| N | CA | C2 | N2 | 58.8° | 55.0° |
| N | CA | C3 | C4 | 48.1° | 65.0° |
| N | CA | C3 | H5 | 71.9° | 55.1° |
| N | CA | C3 | H6 | 168.1° | 175.1° |
| H | N | CA | C2 | 180.0° | 63.9° |
| H | N | CA | C3 | 57.3° | 176.1° |
| H | N | CA | HA | 62.4° | 56.1° |
| C2 | CA | C3 | HA | 117.8° | 120.0° |
| CA | C2 | H3 | H4 | 119.8° | 120.0° |
| CA | C2 | H3 | N2 | 120.5° | 120.0° |
| CA | C2 | H4 | N2 | 120.5° | 120.0° |
| C2 | CA | C3 | C4 | 172.2° | 175.0° |
| C2 | CA | C3 | H5 | 52.2° | 65.0° |
| C2 | CA | C3 | H6 | 67.8° | 55.1° |
| CA | C2 | N2 | C10 | 128.7° | 180.0° |
| CA | C2 | N2 | H12 | 111.3° | 56.1° |
| C2 | CA | N | H2 | 60.0° | 60.0° |
| C3 | CA | C2 | H3 | 58.8° | 65.0° |
| C3 | CA | C2 | H4 | 61.2° | 55.0° |
| C3 | CA | C2 | N2 | 178.8° | 175.0° |
| CA | C3 | C4 | H5 | 120.0° | 120.0° |
| CA | C3 | C4 | H6 | 120.0° | 119.9° |
| CA | C3 | H5 | H6 | 116.3° | 120.0° |
| CA | C3 | C4 | C5 | 33.5° | 90.1° |
| CA | C3 | C4 | C6 | 148.7° | 90.3° |
| C3 | CA | N | H2 | 177.3° | 60.0° |
| HA | CA | C2 | H3 | 60.8° | 55.0° |
| HA | CA | C2 | H4 | 179.1° | 175.0° |
| HA | CA | C2 | N2 | 59.1° | 65.0° |
| HA | CA | C3 | C4 | 70.0° | 55.0° |
| HA | CA | C3 | H5 | 170.1° | 175.0° |
| HA | CA | C3 | H6 | 50.0° | 65.0° |
| HA | CA | N | H2 | 57.7° | 180.0° |
| H3 | C2 | H4 | N2 | 119.7° | 120.0° |
| H3 | C2 | N2 | C10 | 8.8° | 60.0° |
| H3 | C2 | N2 | H12 | 128.8° | 176.1° |
| H4 | C2 | N2 | C10 | 111.3° | 59.9° |
| H4 | C2 | N2 | H12 | 8.7° | 64.0° |
| C2 | N2 | C10 | H12 | 120.0° | 123.9° |
| C2 | N2 | C10 | C | 83.5° | 85.0° |
| C2 | N2 | C10 | C12 | 150.9° | 155.0° |
| C2 | N2 | C10 | H13 | 33.7° | 35.0° |
| C4 | C3 | H5 | H6 | 116.3° | 120.0° |
| C3 | C4 | C5 | C6 | 177.8° | 179.7° |
| C3 | C4 | C5 | C7 | 179.9° | 180.0° |
| C3 | C4 | C5 | H7 | 0.1° | 0.1° |
| C3 | C4 | C6 | C8 | 179.9° | 180.0° |
| C3 | C4 | C6 | H8 | 0.0° | 0.0° |
| H5 | C3 | C4 | C5 | 153.5° | 30.0° |
| H5 | C3 | C4 | C6 | 28.7° | 149.7° |
| H6 | C3 | C4 | C5 | 86.5° | 150.0° |
| H6 | C3 | C4 | C6 | 91.3° | 29.7° |
| C4 | C5 | C7 | H7 | 180.0° | 179.9° |
| C5 | C4 | C6 | C8 | 2.2° | 0.3° |
| C5 | C4 | C6 | H8 | 177.9° | 179.6° |
| C4 | C5 | C7 | C9 | 2.0° | 0.1° |
| C4 | C5 | C7 | H9 | 178.0° | 180.0° |
| C6 | C4 | C5 | C7 | 2.3° | 0.4° |
| C6 | C4 | C5 | H7 | 177.7° | 179.8° |
| C4 | C6 | C8 | H8 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 1.8° | 0.0° |
| C4 | C6 | C8 | H10 | 178.3° | 180.0° |
| C5 | C7 | C9 | H9 | 180.0° | 179.9° |
| C5 | C7 | C9 | C8 | 1.6° | 0.2° |
| C5 | C7 | C9 | H11 | 178.4° | 180.0° |
| H7 | C5 | C7 | C9 | 178.0° | 180.0° |
| H7 | C5 | C7 | H9 | 2.0° | 0.1° |
| C6 | C8 | C9 | C7 | 1.5° | 0.2° |
| C6 | C8 | C9 | H10 | 180.0° | 180.0° |
| C6 | C8 | C9 | H11 | 178.5° | 180.0° |
| H8 | C6 | C8 | C9 | 178.3° | 179.9° |
| H8 | C6 | C8 | H10 | 1.7° | 0.1° |
| C7 | C9 | C8 | H11 | 180.0° | 179.8° |
| C7 | C9 | C8 | H10 | 178.5° | 179.8° |
| H9 | C7 | C9 | C8 | 178.4° | 179.7° |
| H9 | C7 | C9 | H11 | 1.6° | 0.0° |
| H10 | C8 | C9 | H11 | 1.5° | 0.0° |
| N2 | C10 | C | C12 | 124.3° | 120.0° |
| N2 | C10 | C | H13 | 118.7° | 120.0° |
| N2 | C10 | C12 | H13 | 118.7° | 120.0° |
| N2 | C10 | C | O | 15.9° | 0.0° |
| N2 | C10 | C | OXT | 164.6° | 180.0° |
| N2 | C10 | C12 | C13 | 66.5° | 65.0° |
| N2 | C10 | C12 | H14 | 173.5° | 55.0° |
| N2 | C10 | C12 | H15 | 53.5° | 175.0° |
| H12 | N2 | C10 | C | 156.5° | 151.1° |
| H12 | N2 | C10 | C12 | 30.9° | 31.1° |
| H12 | N2 | C10 | H13 | 86.3° | 88.9° |
| C | C10 | C12 | H13 | 117.0° | 120.0° |
| C10 | C | O | OXT | 179.4° | 179.9° |
| C | C10 | C12 | C13 | 57.8° | 175.0° |
| C | C10 | C12 | H14 | 62.2° | 65.0° |
| C | C10 | C12 | H15 | 177.8° | 55.0° |
| C10 | C | OXT | HXT | 179.4° | 180.0° |
| C12 | C10 | C | O | 108.4° | 120.0° |
| C12 | C10 | C | OXT | 71.0° | 60.0° |
| C10 | C12 | C13 | H14 | 120.0° | 120.0° |
| C10 | C12 | C13 | H15 | 120.0° | 120.0° |
| C10 | C12 | H14 | H15 | 119.1° | 119.9° |
| C10 | C12 | C13 | C14 | 96.7° | 90.1° |
| C10 | C12 | C13 | C15 | 81.3° | 90.3° |
| H13 | C10 | C | O | 134.7° | 120.0° |
| H13 | C10 | C | OXT | 45.9° | 60.1° |
| H13 | C10 | C12 | C13 | 174.8° | 55.0° |
| H13 | C10 | C12 | H14 | 54.7° | 175.0° |
| H13 | C10 | C12 | H15 | 65.2° | 65.1° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C13 | C12 | H14 | H15 | 119.1° | 120.1° |
| C12 | C13 | C14 | C15 | 178.1° | 179.6° |
| C12 | C13 | C14 | C16 | 178.0° | 179.9° |
| C12 | C13 | C14 | H16 | 2.0° | 0.0° |
| C12 | C13 | C15 | C17 | 177.4° | 180.0° |
| C12 | C13 | C15 | H17 | 2.6° | 0.0° |
| H14 | C12 | C13 | C14 | 23.2° | 29.9° |
| H14 | C12 | C13 | C15 | 158.7° | 149.7° |
| H15 | C12 | C13 | C14 | 143.3° | 150.0° |
| H15 | C12 | C13 | C15 | 38.7° | 29.7° |
| C13 | C14 | C16 | H16 | 180.0° | 180.0° |
| C14 | C13 | C15 | C17 | 0.6° | 0.3° |
| C14 | C13 | C15 | H17 | 179.4° | 179.7° |
| C13 | C14 | C16 | C18 | 0.3° | 0.0° |
| C13 | C14 | C16 | H18 | 179.7° | 179.9° |
| C15 | C13 | C14 | C16 | 0.1° | 0.3° |
| C15 | C13 | C14 | H16 | 179.9° | 179.7° |
| C13 | C15 | C17 | H17 | 180.0° | 180.0° |
| C13 | C15 | C17 | C18 | 0.7° | 0.1° |
| C13 | C15 | C17 | H19 | 179.3° | 180.0° |
| C14 | C16 | C18 | H18 | 180.0° | 180.0° |
| C14 | C16 | C18 | C17 | 0.2° | 0.2° |
| C14 | C16 | C18 | H20 | 179.8° | 180.0° |
| H16 | C14 | C16 | C18 | 179.7° | 179.9° |
| H16 | C14 | C16 | H18 | 0.3° | 0.1° |
| C15 | C17 | C18 | C16 | 0.2° | 0.2° |
| C15 | C17 | C18 | H19 | 180.0° | 179.9° |
| C15 | C17 | C18 | H20 | 179.7° | 180.0° |
| H17 | C15 | C17 | C18 | 179.3° | 179.9° |
| H17 | C15 | C17 | H19 | 0.7° | 0.0° |
| C16 | C18 | C17 | H20 | 180.0° | 179.8° |
| C16 | C18 | C17 | H19 | 179.8° | 179.7° |
| H18 | C16 | C18 | C17 | 179.7° | 179.8° |
| H18 | C16 | C18 | H20 | 0.3° | 0.0° |
| H19 | C17 | C18 | H20 | 0.2° | 0.1° |
