1QI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | O | doub | 1.21Å | 1.21Å | |
| C | C2 | sing | 1.51Å | 1.50Å | |
| C36 | C34 | sing | 1.53Å | 1.55Å | |
| C2 | C3 | sing | 1.53Å | 1.52Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.41Å | Aromatic |
| C34 | C35 | sing | 1.53Å | 1.53Å | |
| C34 | CA | sing | 1.53Å | 1.53Å | |
| C13 | C8 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | C4 | sing | 1.53Å | 1.51Å | |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C1 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | CA | sing | 1.53Å | 1.54Å | |
| C4 | O1 | sing | 1.43Å | 1.38Å | |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| CA | N | sing | 1.47Å | 1.43Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| O1 | H8 | sing | 0.97Å | 0.95Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C34 | H15 | sing | 1.09Å | 1.10Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| C35 | H18 | sing | 1.09Å | 1.10Å | |
| C36 | H19 | sing | 1.09Å | 1.10Å | |
| C36 | H20 | sing | 1.09Å | 1.10Å | |
| C36 | H21 | sing | 1.09Å | 1.10Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.48Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O | C | C2 | 118.6° | 120.0° |
| O | C | OXT | 118.4° | 120.0° |
| C | C2 | C3 | 102.5° | 109.5° |
| C | C2 | C1 | 110.1° | 109.5° |
| C | C2 | H3 | 112.9° | 109.4° |
| C2 | C | OXT | 123.0° | 120.0° |
| C36 | C34 | C35 | 109.0° | 109.4° |
| C36 | C34 | CA | 110.8° | 109.5° |
| C36 | C34 | H15 | 108.6° | 109.5° |
| C34 | C36 | H19 | 109.5° | 109.5° |
| C34 | C36 | H20 | 109.5° | 109.5° |
| C34 | C36 | H21 | 109.4° | 109.5° |
| C3 | C2 | C1 | 105.7° | 109.5° |
| C2 | C3 | C4 | 117.4° | 109.5° |
| C3 | C2 | H3 | 112.4° | 109.5° |
| C2 | C3 | H4 | 107.5° | 109.4° |
| C2 | C3 | H5 | 107.5° | 109.5° |
| C2 | C1 | C8 | 113.8° | 109.5° |
| C2 | C1 | H1 | 108.4° | 109.5° |
| C1 | C2 | H3 | 112.5° | 109.5° |
| C2 | C1 | H14 | 108.4° | 109.5° |
| C13 | C12 | C11 | 119.9° | 120.0° |
| C12 | C13 | C8 | 120.3° | 120.0° |
| C13 | C12 | H12 | 120.0° | 120.1° |
| C12 | C13 | H13 | 119.8° | 119.9° |
| C12 | C11 | C10 | 119.9° | 120.0° |
| C12 | C11 | H11 | 120.0° | 120.0° |
| C11 | C12 | H12 | 120.1° | 119.9° |
| C35 | C34 | CA | 110.4° | 109.5° |
| C35 | C34 | H15 | 108.9° | 109.5° |
| C34 | C35 | H16 | 109.5° | 109.4° |
| C34 | C35 | H17 | 109.5° | 109.5° |
| C34 | C35 | H18 | 109.4° | 109.5° |
| C34 | CA | C4 | 109.7° | 109.5° |
| C34 | CA | N | 108.8° | 109.5° |
| C34 | CA | HA | 107.8° | 109.4° |
| CA | C34 | H15 | 109.0° | 109.5° |
| C13 | C8 | C1 | 120.0° | 120.0° |
| C13 | C8 | C9 | 119.8° | 120.0° |
| C8 | C13 | H13 | 119.8° | 120.0° |
| C3 | C4 | CA | 105.7° | 109.5° |
| C3 | C4 | O1 | 109.2° | 109.5° |
| C4 | C3 | H4 | 107.5° | 109.4° |
| C4 | C3 | H5 | 107.4° | 109.5° |
| C3 | C4 | H6 | 110.0° | 109.5° |
| C11 | C10 | C9 | 120.1° | 120.0° |
| C11 | C10 | H10 | 119.9° | 120.0° |
| C10 | C11 | H11 | 120.1° | 119.9° |
| C1 | C8 | C9 | 120.2° | 120.0° |
| C8 | C1 | H1 | 108.4° | 109.5° |
| C8 | C1 | H14 | 108.4° | 109.5° |
| C8 | C9 | C10 | 120.0° | 120.0° |
| C8 | C9 | H9 | 120.0° | 119.9° |
| CA | C4 | O1 | 110.2° | 109.5° |
| C4 | CA | N | 113.6° | 109.5° |
| CA | C4 | H6 | 109.6° | 109.5° |
| C4 | CA | HA | 107.6° | 109.5° |
| O1 | C4 | H6 | 111.9° | 109.5° |
| C4 | O1 | H8 | 109.5° | 114.0° |
| C10 | C9 | H9 | 120.0° | 120.0° |
| C9 | C10 | H10 | 119.9° | 120.0° |
| N | CA | HA | 109.2° | 109.5° |
| CA | N | H2 | 109.5° | 111.0° |
| CA | N | H | 109.5° | 111.0° |
| H1 | C1 | H14 | 109.5° | 109.4° |
| H4 | C3 | H5 | 109.5° | 109.5° |
| H16 | C35 | H17 | 109.5° | 109.5° |
| H16 | C35 | H18 | 109.5° | 109.4° |
| H17 | C35 | H18 | 109.5° | 109.5° |
| H19 | C36 | H20 | 109.5° | 109.4° |
| H19 | C36 | H21 | 109.5° | 109.5° |
| H20 | C36 | H21 | 109.5° | 109.4° |
| H2 | N | H | 109.5° | 111.1° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C | C2 | OXT | 178.4° | 180.0° |
| O | C | C2 | C3 | 48.4° | 0.0° |
| O | C | C2 | C1 | 63.7° | 120.0° |
| O | C | C2 | H3 | 169.6° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| C | C2 | C3 | C1 | 115.4° | 120.0° |
| C | C2 | C3 | H3 | 121.5° | 120.0° |
| C | C2 | C1 | H3 | 126.9° | 119.9° |
| C | C2 | C3 | C4 | 137.3° | 65.0° |
| C | C2 | C1 | C8 | 78.5° | 65.0° |
| C | C2 | C1 | H1 | 160.9° | 175.0° |
| C | C2 | C3 | H4 | 16.2° | 55.0° |
| C | C2 | C3 | H5 | 101.6° | 175.0° |
| C2 | C | OXT | HXT | 178.4° | 180.0° |
| C | C2 | C1 | H14 | 42.1° | 55.1° |
| C36 | C34 | C35 | CA | 122.0° | 120.0° |
| C36 | C34 | C35 | H15 | 118.4° | 120.0° |
| C36 | C34 | CA | H15 | 119.5° | 120.0° |
| C36 | C34 | CA | C4 | 72.1° | 176.6° |
| C36 | C34 | CA | N | 52.6° | 56.6° |
| C36 | C34 | CA | HA | 170.9° | 63.4° |
| C36 | C34 | C35 | H16 | 180.0° | 60.0° |
| C36 | C34 | C35 | H17 | 60.0° | 60.0° |
| C36 | C34 | C35 | H18 | 60.0° | 180.0° |
| C34 | C36 | H19 | H20 | 120.0° | 120.0° |
| C34 | C36 | H19 | H21 | 120.0° | 120.0° |
| C34 | C36 | H20 | H21 | 120.0° | 120.0° |
| C3 | C2 | C1 | H3 | 123.1° | 120.0° |
| C2 | C3 | C4 | H4 | 121.1° | 119.9° |
| C2 | C3 | C4 | H5 | 121.1° | 120.0° |
| C3 | C2 | C1 | C8 | 171.5° | 175.0° |
| C2 | C3 | C4 | CA | 175.9° | 175.0° |
| C2 | C3 | C4 | O1 | 65.6° | 65.0° |
| C3 | C2 | C1 | H1 | 50.9° | 55.0° |
| C2 | C3 | H4 | H5 | 116.4° | 120.0° |
| C2 | C3 | C4 | H6 | 57.6° | 55.0° |
| C3 | C2 | C | OXT | 130.1° | 180.0° |
| C3 | C2 | C1 | H14 | 67.9° | 65.0° |
| C2 | C1 | C8 | C13 | 92.8° | 90.3° |
| C1 | C2 | C3 | C4 | 107.3° | 175.0° |
| C2 | C1 | C8 | H1 | 120.6° | 120.0° |
| C2 | C1 | C8 | H14 | 120.6° | 120.0° |
| C2 | C1 | C8 | C9 | 88.4° | 90.0° |
| C2 | C1 | H1 | H14 | 118.1° | 120.0° |
| C1 | C2 | C3 | H4 | 131.5° | 65.0° |
| C1 | C2 | C3 | H5 | 13.8° | 55.0° |
| C1 | C2 | C | OXT | 117.9° | 60.0° |
| C13 | C12 | C11 | H12 | 180.0° | 179.4° |
| C12 | C13 | C8 | H13 | 180.0° | 179.4° |
| C13 | C12 | C11 | C10 | 0.1° | 0.3° |
| C12 | C13 | C8 | C1 | 179.6° | 179.7° |
| C12 | C13 | C8 | C9 | 0.7° | 0.6° |
| C13 | C12 | C11 | H11 | 179.9° | 179.8° |
| C11 | C12 | C13 | C8 | 0.5° | 0.6° |
| C12 | C11 | C10 | H11 | 180.0° | 179.9° |
| C12 | C11 | C10 | C9 | 0.0° | 0.0° |
| C12 | C11 | C10 | H10 | 180.0° | 180.0° |
| C11 | C12 | C13 | H13 | 179.6° | 180.0° |
| C35 | C34 | CA | H15 | 119.6° | 120.0° |
| C35 | C34 | CA | C4 | 166.9° | 63.4° |
| C35 | C34 | CA | N | 68.3° | 176.6° |
| C35 | C34 | CA | HA | 50.0° | 56.6° |
| C34 | C35 | H16 | H17 | 120.0° | 120.0° |
| C34 | C35 | H16 | H18 | 120.0° | 119.9° |
| C34 | C35 | H17 | H18 | 120.0° | 120.0° |
| C35 | C34 | C36 | H19 | 180.0° | 54.8° |
| C35 | C34 | C36 | H20 | 60.0° | 65.2° |
| C35 | C34 | C36 | H21 | 60.0° | 174.9° |
| C34 | CA | C4 | C3 | 48.2° | 177.9° |
| C34 | CA | C4 | N | 121.9° | 120.0° |
| C34 | CA | C4 | HA | 117.1° | 120.0° |
| C34 | CA | C4 | O1 | 166.1° | 57.9° |
| C34 | CA | N | HA | 117.4° | 120.0° |
| C34 | CA | C4 | H6 | 70.3° | 62.2° |
| CA | C34 | C35 | H16 | 58.0° | 59.9° |
| CA | C34 | C35 | H17 | 62.0° | 180.0° |
| CA | C34 | C35 | H18 | 178.0° | 60.0° |
| CA | C34 | C36 | H19 | 58.3° | 174.8° |
| CA | C34 | C36 | H20 | 178.3° | 54.8° |
| CA | C34 | C36 | H21 | 61.7° | 65.1° |
| C34 | CA | N | H2 | 180.0° | 176.0° |
| C34 | CA | N | H | 60.0° | 60.0° |
| C13 | C8 | C1 | C9 | 178.8° | 179.7° |
| C13 | C8 | C9 | C10 | 0.6° | 0.3° |
| C13 | C8 | C1 | H1 | 146.6° | 149.7° |
| C13 | C8 | C9 | H9 | 179.4° | 179.7° |
| C8 | C13 | C12 | H12 | 179.5° | 180.0° |
| C13 | C8 | C1 | H14 | 27.8° | 29.7° |
| C3 | C4 | CA | O1 | 117.9° | 120.0° |
| C3 | C4 | CA | H6 | 118.5° | 120.0° |
| C3 | C4 | O1 | H6 | 122.0° | 120.0° |
| C3 | C4 | CA | N | 170.1° | 57.9° |
| C4 | C3 | C2 | H3 | 15.8° | 55.0° |
| C4 | C3 | H4 | H5 | 116.4° | 120.0° |
| C3 | C4 | CA | HA | 68.9° | 62.2° |
| C3 | C4 | O1 | H8 | 180.0° | 60.0° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| C10 | C11 | C12 | H12 | 179.9° | 179.7° |
| C1 | C8 | C9 | C10 | 179.4° | 180.0° |
| C8 | C1 | H1 | H14 | 118.0° | 120.0° |
| C8 | C1 | C2 | H3 | 48.4° | 54.9° |
| C1 | C8 | C9 | H9 | 0.6° | 0.0° |
| C1 | C8 | C13 | H13 | 0.5° | 0.3° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C9 | C8 | C1 | H1 | 32.2° | 30.0° |
| C8 | C9 | C10 | H10 | 179.7° | 180.0° |
| C9 | C8 | C13 | H13 | 179.3° | 180.0° |
| C9 | C8 | C1 | H14 | 151.0° | 150.0° |
| CA | C4 | O1 | H6 | 122.3° | 120.0° |
| C4 | CA | N | HA | 120.1° | 120.0° |
| CA | C4 | C3 | H4 | 54.7° | 55.0° |
| CA | C4 | C3 | H5 | 63.0° | 65.0° |
| CA | C4 | O1 | H8 | 64.3° | 60.0° |
| C4 | CA | C34 | H15 | 47.4° | 56.6° |
| C4 | CA | N | H2 | 57.6° | 64.0° |
| C4 | CA | N | H | 62.5° | 60.0° |
| O1 | C4 | CA | N | 72.0° | 62.2° |
| O1 | C4 | C3 | H4 | 173.3° | 175.0° |
| O1 | C4 | C3 | H5 | 55.5° | 55.0° |
| O1 | C4 | CA | HA | 49.0° | 177.8° |
| C9 | C10 | C11 | H11 | 180.0° | 179.9° |
| N | CA | C4 | H6 | 51.7° | 177.8° |
| N | CA | C34 | H15 | 172.1° | 63.4° |
| CA | N | H2 | H | 120.0° | 124.0° |
| H1 | C1 | C2 | H3 | 72.2° | 65.1° |
| H3 | C2 | C3 | H4 | 105.4° | 174.9° |
| H3 | C2 | C3 | H5 | 136.9° | 65.0° |
| H3 | C2 | C | OXT | 8.9° | 60.0° |
| H3 | C2 | C1 | H14 | 169.0° | 175.0° |
| H4 | C3 | C4 | H6 | 63.5° | 64.9° |
| H5 | C3 | C4 | H6 | 178.8° | 175.0° |
| H6 | C4 | CA | HA | 172.6° | 57.8° |
| H6 | C4 | O1 | H8 | 58.0° | 180.0° |
| HA | CA | C34 | H15 | 69.6° | 176.6° |
| HA | CA | N | H2 | 62.5° | 56.0° |
| HA | CA | N | H | 177.4° | 179.9° |
| H9 | C9 | C10 | H10 | 0.3° | 0.0° |
| H10 | C10 | C11 | H11 | 0.0° | 0.1° |
| H11 | C11 | C12 | H12 | 0.1° | 0.3° |
| H12 | C12 | C13 | H13 | 0.4° | 0.6° |
| H15 | C34 | C35 | H16 | 61.6° | 180.0° |
| H15 | C34 | C35 | H17 | 178.4° | 60.0° |
| H15 | C34 | C35 | H18 | 58.4° | 60.1° |
| H15 | C34 | C36 | H19 | 61.4° | 65.2° |
| H15 | C34 | C36 | H20 | 58.6° | 174.8° |
| H15 | C34 | C36 | H21 | 178.6° | 54.9° |
| H16 | C35 | H17 | H18 | 120.0° | 120.0° |
| H19 | C36 | H20 | H21 | 120.0° | 120.0° |
