3QN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.23Å | |
| C | OXT | sing | 1.34Å | 1.47Å | |
| N | CA | sing | 1.47Å | 1.44Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| P1 | O3 | sing | 1.61Å | 1.47Å | |
| P1 | O6 | sing | 1.61Å | 1.53Å | |
| C2 | C3 | sing | 1.38Å | 1.38Å | Aromatic |
| C2 | H3 | sing | 1.08Å | 1.08Å | |
| C3 | C13 | sing | 1.51Å | 1.55Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| C4 | O2 | sing | 1.36Å | 1.38Å | |
| C5 | C4 | sing | 1.40Å | 1.42Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| CA | C | sing | 1.51Å | 1.52Å | |
| CA | C9 | sing | 1.53Å | 1.54Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C9 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | C12 | sing | 1.53Å | 1.51Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H22 | sing | 1.09Å | 1.10Å | |
| C11 | C10 | sing | 1.53Å | 1.57Å | |
| C11 | N2 | sing | 1.47Å | 1.48Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C12 | C9 | sing | 1.53Å | 1.48Å | |
| C12 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| O3 | H13 | sing | 0.97Å | 0.95Å | |
| C13 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| O4 | P1 | doub | 1.48Å | 1.52Å | |
| O5 | P1 | sing | 1.61Å | 1.49Å | |
| O5 | H17 | sing | 0.97Å | 0.95Å | |
| C14 | C5 | sing | 1.47Å | 1.54Å | |
| C14 | N2 | doub | 1.29Å | 1.45Å | |
| C14 | H18 | sing | 1.08Å | 1.08Å | |
| O6 | C15 | sing | 1.43Å | 1.40Å | |
| C15 | C6 | sing | 1.51Å | 1.52Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| O2 | H23 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | OXT | 120.5° | 120.0° |
| O | C | CA | 119.1° | 120.0° |
| OXT | C | CA | 120.4° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| N | CA | C | 112.0° | 109.5° |
| N | CA | C9 | 108.1° | 109.4° |
| N | CA | HA | 108.8° | 109.5° |
| H | N | H2 | 109.4° | 111.0° |
| O3 | P1 | O6 | 107.4° | 109.5° |
| P1 | O3 | H13 | 109.5° | 114.0° |
| O3 | P1 | O4 | 107.9° | 109.4° |
| O3 | P1 | O5 | 112.7° | 109.4° |
| O6 | P1 | O4 | 110.6° | 109.5° |
| O6 | P1 | O5 | 102.7° | 109.5° |
| P1 | O6 | C15 | 119.5° | 123.0° |
| C3 | C2 | H3 | 119.1° | 119.8° |
| C2 | C3 | C13 | 119.2° | 119.9° |
| C2 | C3 | C4 | 120.6° | 120.1° |
| C3 | C2 | C7 | 121.9° | 120.4° |
| H3 | C2 | C7 | 119.1° | 119.8° |
| C13 | C3 | C4 | 120.2° | 120.0° |
| C3 | C13 | H14 | 109.5° | 109.5° |
| C3 | C13 | H15 | 109.4° | 109.5° |
| C3 | C13 | H16 | 109.4° | 109.5° |
| C3 | C4 | O2 | 121.9° | 120.1° |
| C3 | C4 | C5 | 118.0° | 119.8° |
| O2 | C4 | C5 | 120.0° | 120.1° |
| C4 | O2 | H23 | 109.5° | 114.0° |
| C4 | C5 | C6 | 120.7° | 119.6° |
| C4 | C5 | C14 | 120.6° | 120.2° |
| C5 | C6 | C7 | 120.0° | 119.9° |
| C6 | C5 | C14 | 118.6° | 120.2° |
| C5 | C6 | C15 | 121.0° | 120.0° |
| C6 | C7 | C2 | 118.8° | 120.3° |
| C6 | C7 | H4 | 120.6° | 119.9° |
| C7 | C6 | C15 | 119.0° | 120.1° |
| C2 | C7 | H4 | 120.6° | 119.9° |
| C | CA | C9 | 109.9° | 109.5° |
| C | CA | HA | 107.0° | 109.5° |
| C9 | CA | HA | 111.0° | 109.5° |
| CA | C9 | H6 | 108.6° | 109.4° |
| CA | C9 | H7 | 108.6° | 109.5° |
| CA | C9 | C12 | 112.1° | 109.5° |
| H6 | C9 | H7 | 110.3° | 109.4° |
| H6 | C9 | C12 | 108.6° | 109.5° |
| H7 | C9 | C12 | 108.6° | 109.5° |
| C12 | C10 | H8 | 108.7° | 109.5° |
| C12 | C10 | H22 | 108.7° | 109.4° |
| C12 | C10 | C11 | 111.9° | 109.4° |
| C10 | C12 | C9 | 113.8° | 109.5° |
| C10 | C12 | H11 | 108.0° | 109.5° |
| C10 | C12 | H12 | 108.1° | 109.5° |
| H8 | C10 | H22 | 110.3° | 109.5° |
| H8 | C10 | C11 | 108.7° | 109.5° |
| H22 | C10 | C11 | 108.6° | 109.5° |
| C10 | C11 | N2 | 115.5° | 109.4° |
| C10 | C11 | H9 | 107.5° | 109.5° |
| C10 | C11 | H10 | 107.5° | 109.5° |
| N2 | C11 | H9 | 107.5° | 109.5° |
| N2 | C11 | H10 | 107.5° | 109.4° |
| C11 | N2 | C14 | 111.3° | 120.0° |
| H9 | C11 | H10 | 111.4° | 109.5° |
| C9 | C12 | H11 | 108.1° | 109.4° |
| C9 | C12 | H12 | 108.1° | 109.4° |
| H11 | C12 | H12 | 110.8° | 109.5° |
| H14 | C13 | H15 | 109.5° | 109.5° |
| H14 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.4° |
| O4 | P1 | O5 | 115.3° | 109.5° |
| P1 | O5 | H17 | 109.5° | 114.0° |
| C5 | C14 | N2 | 115.9° | 120.0° |
| C5 | C14 | H18 | 122.0° | 120.0° |
| N2 | C14 | H18 | 122.1° | 120.0° |
| O6 | C15 | C6 | 121.2° | 109.4° |
| O6 | C15 | H19 | 105.7° | 109.5° |
| O6 | C15 | H20 | 105.7° | 109.5° |
| C6 | C15 | H19 | 105.7° | 109.4° |
| C6 | C15 | H20 | 105.8° | 109.5° |
| H19 | C15 | H20 | 112.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | OXT | CA | 180.0° | 179.7° |
| O | C | CA | N | 133.5° | 20.0° |
| O | C | CA | C9 | 106.4° | 100.0° |
| O | C | CA | HA | 14.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| OXT | C | CA | N | 46.5° | 160.3° |
| OXT | C | CA | C9 | 73.6° | 79.7° |
| OXT | C | CA | HA | 165.7° | 40.3° |
| CA | N | H | H2 | 120.0° | 124.0° |
| N | CA | C | C9 | 120.2° | 120.0° |
| N | CA | C | HA | 119.2° | 120.0° |
| N | CA | C9 | HA | 119.3° | 120.0° |
| N | CA | C9 | H6 | 45.5° | 55.0° |
| N | CA | C9 | H7 | 165.5° | 175.0° |
| N | CA | C9 | C12 | 74.5° | 65.0° |
| H | N | CA | C | 180.0° | 60.0° |
| H | N | CA | C9 | 58.8° | 60.1° |
| H | N | CA | HA | 61.9° | 180.0° |
| H2 | N | CA | C | 60.0° | 176.0° |
| H2 | N | CA | C9 | 178.8° | 63.9° |
| H2 | N | CA | HA | 58.1° | 56.0° |
| O3 | P1 | O6 | O4 | 117.5° | 120.0° |
| O3 | P1 | O6 | O5 | 119.0° | 120.0° |
| O3 | P1 | O4 | O5 | 126.9° | 119.9° |
| O3 | P1 | O5 | H17 | 124.5° | 60.0° |
| O3 | P1 | O6 | C15 | 47.9° | 65.0° |
| O6 | P1 | O3 | H13 | 119.3° | 60.0° |
| O6 | P1 | O4 | O5 | 115.8° | 120.1° |
| O6 | P1 | O5 | H17 | 120.3° | 180.0° |
| P1 | O6 | C15 | C6 | 173.5° | 179.9° |
| P1 | O6 | C15 | H19 | 53.5° | 60.0° |
| P1 | O6 | C15 | H20 | 66.5° | 60.1° |
| C3 | C2 | H3 | C7 | 180.0° | 179.7° |
| C2 | C3 | C13 | C4 | 178.2° | 180.0° |
| C2 | C3 | C4 | O2 | 179.3° | 180.0° |
| C2 | C3 | C4 | C5 | 1.5° | 0.0° |
| C3 | C2 | C7 | C6 | 0.3° | 0.6° |
| C3 | C2 | C7 | H4 | 179.7° | 180.0° |
| C2 | C3 | C13 | H14 | 89.1° | 90.0° |
| C2 | C3 | C13 | H15 | 150.9° | 150.0° |
| C2 | C3 | C13 | H16 | 30.9° | 30.0° |
| H3 | C2 | C3 | C13 | 1.3° | 0.1° |
| H3 | C2 | C3 | C4 | 179.5° | 180.0° |
| H3 | C2 | C7 | C6 | 179.8° | 179.7° |
| H3 | C2 | C7 | H4 | 0.3° | 0.3° |
| C13 | C3 | C4 | O2 | 2.5° | 0.0° |
| C13 | C3 | C4 | C5 | 179.8° | 180.0° |
| C13 | C3 | C2 | C7 | 178.7° | 179.7° |
| C3 | C13 | H14 | H15 | 120.0° | 120.0° |
| C3 | C13 | H14 | H16 | 120.0° | 120.0° |
| C3 | C13 | H15 | H16 | 120.0° | 120.0° |
| C3 | C4 | O2 | C5 | 177.7° | 180.0° |
| C3 | C4 | C5 | C6 | 2.4° | 0.0° |
| C4 | C3 | C2 | C7 | 0.5° | 0.3° |
| C4 | C3 | C13 | H14 | 89.1° | 90.0° |
| C4 | C3 | C13 | H15 | 30.9° | 30.0° |
| C4 | C3 | C13 | H16 | 150.9° | 149.9° |
| C3 | C4 | C5 | C14 | 177.9° | 180.0° |
| C3 | C4 | O2 | H23 | 180.0° | 90.0° |
| O2 | C4 | C5 | C6 | 179.8° | 180.0° |
| O2 | C4 | C5 | C14 | 4.3° | 0.0° |
| C4 | C5 | C6 | C14 | 175.6° | 180.0° |
| C4 | C5 | C6 | C7 | 2.2° | 0.3° |
| C4 | C5 | C14 | N2 | 11.7° | 0.0° |
| C4 | C5 | C14 | H18 | 168.3° | 179.9° |
| C4 | C5 | C6 | C15 | 178.2° | 180.0° |
| C5 | C4 | O2 | H23 | 2.4° | 89.9° |
| C5 | C6 | C7 | C15 | 179.6° | 179.7° |
| C5 | C6 | C7 | C2 | 1.1° | 0.6° |
| C5 | C6 | C7 | H4 | 178.9° | 180.0° |
| C6 | C5 | C14 | N2 | 163.9° | 180.0° |
| C6 | C5 | C14 | H18 | 16.1° | 0.0° |
| C5 | C6 | C15 | O6 | 35.6° | 180.0° |
| C5 | C6 | C15 | H19 | 155.6° | 60.0° |
| C5 | C6 | C15 | H20 | 84.4° | 60.0° |
| C6 | C7 | C2 | H4 | 180.0° | 179.5° |
| C7 | C6 | C5 | C14 | 177.8° | 179.7° |
| C7 | C6 | C15 | O6 | 144.0° | 0.3° |
| C7 | C6 | C15 | H19 | 24.0° | 120.3° |
| C7 | C6 | C15 | H20 | 96.0° | 119.7° |
| C2 | C7 | C6 | C15 | 179.3° | 179.7° |
| H4 | C7 | C6 | C15 | 0.7° | 0.3° |
| C | CA | C9 | HA | 118.2° | 120.0° |
| C | CA | C9 | H6 | 77.0° | 65.0° |
| C | CA | C9 | H7 | 43.0° | 54.9° |
| C | CA | C9 | C12 | 163.0° | 175.0° |
| CA | C | OXT | HXT | 180.0° | 179.8° |
| CA | C9 | H6 | H7 | 119.0° | 120.0° |
| CA | C9 | H6 | C12 | 122.1° | 120.0° |
| CA | C9 | H7 | C12 | 122.1° | 120.1° |
| CA | C9 | C12 | C10 | 107.7° | 180.0° |
| CA | C9 | C12 | H11 | 12.3° | 60.0° |
| CA | C9 | C12 | H12 | 132.3° | 60.0° |
| HA | CA | C9 | H6 | 164.8° | 175.0° |
| HA | CA | C9 | H7 | 75.1° | 65.1° |
| HA | CA | C9 | C12 | 44.9° | 55.0° |
| H6 | C9 | H7 | C12 | 118.9° | 120.0° |
| H6 | C9 | C12 | C10 | 12.3° | 60.0° |
| H6 | C9 | C12 | H11 | 132.3° | 180.0° |
| H6 | C9 | C12 | H12 | 107.7° | 60.0° |
| H7 | C9 | C12 | C10 | 132.3° | 59.9° |
| H7 | C9 | C12 | H11 | 107.7° | 60.1° |
| H7 | C9 | C12 | H12 | 12.3° | 180.0° |
| C12 | C10 | H8 | H22 | 119.0° | 120.0° |
| C12 | C10 | H8 | C11 | 122.0° | 119.9° |
| C12 | C10 | H22 | C11 | 122.0° | 119.9° |
| C12 | C10 | C11 | N2 | 147.5° | 180.0° |
| C12 | C10 | C11 | H9 | 27.5° | 60.0° |
| C12 | C10 | C11 | H10 | 92.5° | 60.0° |
| C10 | C12 | C9 | H11 | 120.0° | 120.0° |
| C10 | C12 | C9 | H12 | 120.0° | 120.1° |
| C10 | C12 | H11 | H12 | 118.2° | 120.1° |
| H8 | C10 | H22 | C11 | 119.0° | 120.1° |
| H8 | C10 | C11 | N2 | 92.5° | 60.1° |
| H8 | C10 | C11 | H9 | 147.5° | 59.9° |
| H8 | C10 | C11 | H10 | 27.5° | 180.0° |
| H8 | C10 | C12 | C9 | 56.8° | 60.0° |
| H8 | C10 | C12 | H11 | 63.3° | 60.0° |
| H8 | C10 | C12 | H12 | 176.8° | 180.0° |
| H22 | C10 | C11 | N2 | 27.5° | 60.0° |
| H22 | C10 | C11 | H9 | 92.5° | NaN° |
| H22 | C10 | C11 | H10 | 147.5° | 59.9° |
| H22 | C10 | C12 | C9 | 63.3° | 60.0° |
| H22 | C10 | C12 | H11 | 176.7° | 180.0° |
| H22 | C10 | C12 | H12 | 56.8° | 60.0° |
| C10 | C11 | N2 | H9 | 120.0° | 120.0° |
| C10 | C11 | N2 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H10 | 117.5° | 120.1° |
| C11 | C10 | C12 | C9 | 176.8° | 180.0° |
| C11 | C10 | C12 | H11 | 56.7° | 60.0° |
| C11 | C10 | C12 | H12 | 63.2° | 60.0° |
| C10 | C11 | N2 | C14 | 91.2° | 115.0° |
| N2 | C11 | H9 | H10 | 117.5° | 120.0° |
| C11 | N2 | C14 | C5 | 166.4° | 180.0° |
| C11 | N2 | C14 | H18 | 13.6° | 0.0° |
| H9 | C11 | N2 | C14 | 148.8° | 5.0° |
| H10 | C11 | N2 | C14 | 28.8° | 125.0° |
| C9 | C12 | H11 | H12 | 118.2° | 119.9° |
| H13 | O3 | P1 | O4 | 0.0° | 180.0° |
| H13 | O3 | P1 | O5 | 128.4° | 60.0° |
| H14 | C13 | H15 | H16 | 120.0° | 120.0° |
| O4 | P1 | O5 | H17 | 0.0° | 59.9° |
| O4 | P1 | O6 | C15 | 69.6° | 55.0° |
| O5 | P1 | O6 | C15 | 166.9° | 175.0° |
| C5 | C14 | N2 | H18 | 180.0° | 179.9° |
| C14 | C5 | C6 | C15 | 2.6° | 0.1° |
| O6 | C15 | C6 | H19 | 120.0° | 120.0° |
| O6 | C15 | C6 | H20 | 120.0° | 120.0° |
| O6 | C15 | H19 | H20 | 115.1° | 120.0° |
| C6 | C15 | H19 | H20 | 115.2° | 120.0° |
