4YM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.53Å | 1.49Å | |
| C02 | O03 | sing | 1.45Å | 1.38Å | |
| O03 | C04 | sing | 1.35Å | 1.38Å | |
| C04 | O05 | doub | 1.22Å | 1.22Å | |
| C04 | C06 | sing | 1.47Å | 1.49Å | |
| C06 | C07 | doub | 1.40Å | 1.40Å | Aromatic |
| C06 | C22 | sing | 1.41Å | 1.41Å | Aromatic |
| C07 | N08 | sing | 1.31Å | 1.34Å | Aromatic |
| N08 | C09 | doub | 1.33Å | 1.38Å | Aromatic |
| C09 | N10 | sing | 1.37Å | 1.38Å | Aromatic |
| C09 | C21 | sing | 1.41Å | 1.38Å | Aromatic |
| N10 | N11 | sing | 1.40Å | 1.36Å | Aromatic |
| N11 | C12 | doub | 1.31Å | 1.35Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.38Å | |
| C12 | C21 | sing | 1.46Å | 1.44Å | Aromatic |
| C13 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | C20 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | C18 | sing | 1.43Å | 1.48Å | |
| C17 | C20 | doub | 1.39Å | 1.39Å | Aromatic |
| C18 | N19 | trip | 1.14Å | 1.13Å | |
| C21 | C22 | doub | 1.40Å | 1.45Å | Aromatic |
| C22 | N23 | sing | 1.38Å | 1.45Å | |
| N23 | C24 | sing | 1.47Å | 1.41Å | |
| N23 | C30 | sing | 1.47Å | 1.41Å | |
| C24 | C25 | sing | 1.53Å | 1.49Å | |
| C25 | O26 | sing | 1.43Å | 1.40Å | |
| O26 | C27 | sing | 1.43Å | 1.41Å | |
| C27 | C28 | sing | 1.53Å | 1.50Å | |
| C27 | C30 | sing | 1.53Å | 1.50Å | |
| C28 | N29 | sing | 1.47Å | 1.44Å | |
| C01 | H01 | sing | 1.09Å | 1.10Å | |
| C01 | H01A | sing | 1.09Å | 1.10Å | |
| C01 | H01B | sing | 1.09Å | 1.10Å | |
| C02 | H02 | sing | 1.09Å | 1.10Å | |
| C02 | H02A | sing | 1.09Å | 1.10Å | |
| C07 | H07 | sing | 1.08Å | 1.08Å | |
| N10 | HN10 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| N29 | HN29 | sing | 1.01Å | 1.00Å | |
| N29 | HN2A | sing | 1.01Å | 1.00Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C01 | C02 | O03 | 118.1° | 109.4° |
| C02 | C01 | H01 | 109.5° | 109.5° |
| C02 | C01 | H01A | 109.5° | 109.5° |
| C02 | C01 | H01B | 109.5° | 109.5° |
| C01 | C02 | H02 | 107.3° | 109.5° |
| C01 | C02 | H02A | 107.3° | 109.5° |
| C02 | O03 | C04 | 118.5° | 117.0° |
| O03 | C02 | H02 | 107.3° | 109.5° |
| O03 | C02 | H02A | 107.3° | 109.5° |
| O03 | C04 | O05 | 120.0° | 120.0° |
| O03 | C04 | C06 | 118.3° | 120.0° |
| O05 | C04 | C06 | 121.7° | 120.0° |
| C04 | C06 | C07 | 115.7° | 120.5° |
| C04 | C06 | C22 | 124.7° | 120.5° |
| C07 | C06 | C22 | 119.6° | 118.9° |
| C06 | C07 | N08 | 120.9° | 121.4° |
| C06 | C07 | H07 | 119.5° | 119.3° |
| C06 | C22 | C21 | 118.8° | 117.8° |
| C06 | C22 | N23 | 120.0° | 121.1° |
| C07 | N08 | C09 | 121.0° | 122.1° |
| N08 | C07 | H07 | 119.5° | 119.3° |
| N08 | C09 | N10 | 128.0° | 133.0° |
| N08 | C09 | C21 | 121.9° | 120.3° |
| N10 | C09 | C21 | 110.1° | 106.7° |
| C09 | N10 | N11 | 108.2° | 109.5° |
| C09 | N10 | HN10 | 125.9° | 125.2° |
| C09 | C21 | C12 | 103.6° | 106.5° |
| C09 | C21 | C22 | 117.8° | 119.4° |
| N10 | N11 | C12 | 108.4° | 109.8° |
| N11 | N10 | HN10 | 125.9° | 125.2° |
| N11 | C12 | C13 | 123.5° | 126.3° |
| N11 | C12 | C21 | 109.7° | 107.4° |
| C13 | C12 | C21 | 126.7° | 126.3° |
| C12 | C13 | C14 | 121.1° | 120.0° |
| C12 | C13 | C20 | 119.4° | 120.1° |
| C12 | C21 | C22 | 138.6° | 134.0° |
| C14 | C13 | C20 | 119.5° | 119.9° |
| C13 | C14 | C15 | 120.5° | 120.1° |
| C13 | C14 | H14 | 119.7° | 120.0° |
| C13 | C20 | C17 | 119.9° | 119.7° |
| C13 | C20 | H20 | 120.0° | 120.1° |
| C14 | C15 | C16 | 119.9° | 120.3° |
| C15 | C14 | H14 | 119.7° | 119.9° |
| C14 | C15 | H15 | 120.0° | 119.8° |
| C15 | C16 | C17 | 119.7° | 120.1° |
| C16 | C15 | H15 | 120.0° | 119.9° |
| C15 | C16 | H16 | 120.2° | 119.9° |
| C16 | C17 | C18 | 119.5° | 120.1° |
| C16 | C17 | C20 | 120.4° | 119.8° |
| C17 | C16 | H16 | 120.1° | 120.0° |
| C18 | C17 | C20 | 120.1° | 120.1° |
| C17 | C18 | N19 | 179.8° | 180.0° |
| C17 | C20 | H20 | 120.1° | 120.1° |
| C21 | C22 | N23 | 121.2° | 121.1° |
| C22 | N23 | C24 | 109.3° | 111.0° |
| C22 | N23 | C30 | 113.2° | 111.0° |
| C24 | N23 | C30 | 113.2° | 110.7° |
| N23 | C24 | C25 | 110.1° | 109.3° |
| N23 | C24 | H24 | 109.3° | 109.5° |
| N23 | C24 | H24A | 109.3° | 109.5° |
| N23 | C30 | C27 | 112.9° | 109.3° |
| N23 | C30 | H30 | 108.6° | 109.6° |
| N23 | C30 | H30A | 108.6° | 109.5° |
| C24 | C25 | O26 | 111.1° | 109.3° |
| C25 | C24 | H24 | 109.3° | 109.5° |
| C25 | C24 | H24A | 109.3° | 109.5° |
| C24 | C25 | H25 | 109.1° | 109.5° |
| C24 | C25 | H25A | 109.1° | 109.5° |
| C25 | O26 | C27 | 114.3° | 113.7° |
| O26 | C25 | H25 | 109.0° | 109.5° |
| O26 | C25 | H25A | 109.1° | 109.5° |
| O26 | C27 | C28 | 110.4° | 109.5° |
| O26 | C27 | C30 | 112.9° | 109.2° |
| O26 | C27 | H27 | 108.6° | 109.5° |
| C28 | C27 | C30 | 110.0° | 109.5° |
| C27 | C28 | N29 | 109.3° | 109.5° |
| C28 | C27 | H27 | 107.3° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.5° |
| C27 | C28 | H28A | 109.5° | 109.5° |
| C30 | C27 | H27 | 107.4° | 109.6° |
| C27 | C30 | H30 | 108.6° | 109.5° |
| C27 | C30 | H30A | 108.6° | 109.5° |
| N29 | C28 | H28 | 109.5° | 109.4° |
| N29 | C28 | H28A | 109.5° | 109.5° |
| C28 | N29 | HN29 | 109.5° | 111.0° |
| C28 | N29 | HN2A | 109.5° | 111.0° |
| H01 | C01 | H01A | 109.4° | 109.4° |
| H01 | C01 | H01B | 109.4° | 109.5° |
| H01A | C01 | H01B | 109.5° | 109.4° |
| H02 | C02 | H02A | 109.5° | 109.5° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.4° |
| HN29 | N29 | HN2A | 109.5° | 111.0° |
| H30 | C30 | H30A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C01 | C02 | O03 | H02 | 121.2° | 120.0° |
| C01 | C02 | O03 | H02A | 121.2° | 120.0° |
| C01 | C02 | O03 | C04 | 140.1° | 180.0° |
| C02 | C01 | H01 | H01A | 120.0° | 120.0° |
| C02 | C01 | H01 | H01B | 120.0° | 120.1° |
| C02 | C01 | H01A | H01B | 120.0° | 120.0° |
| C01 | C02 | H02 | H02A | 116.1° | 120.0° |
| C02 | O03 | C04 | O05 | 59.8° | 0.0° |
| C02 | O03 | C04 | C06 | 117.7° | 180.0° |
| O03 | C02 | C01 | H01 | 180.0° | 180.0° |
| O03 | C02 | C01 | H01A | 60.0° | 60.0° |
| O03 | C02 | C01 | H01B | 60.0° | 60.0° |
| O03 | C02 | H02 | H02A | 116.1° | 120.0° |
| O03 | C04 | O05 | C06 | 177.4° | 180.0° |
| O03 | C04 | C06 | C07 | 37.9° | 39.1° |
| O03 | C04 | C06 | C22 | 141.6° | 140.6° |
| C04 | O03 | C02 | H02 | 18.9° | 60.0° |
| C04 | O03 | C02 | H02A | 98.6° | 60.0° |
| O05 | C04 | C06 | C07 | 139.6° | 140.9° |
| O05 | C04 | C06 | C22 | 40.9° | 39.4° |
| C04 | C06 | C07 | C22 | 179.6° | 179.7° |
| C04 | C06 | C07 | N08 | 179.9° | 180.0° |
| C04 | C06 | C22 | C21 | 179.7° | 179.7° |
| C04 | C06 | C22 | N23 | 0.9° | 0.0° |
| C04 | C06 | C07 | H07 | 0.1° | 0.1° |
| C06 | C07 | N08 | H07 | 180.0° | 179.9° |
| C06 | C07 | N08 | C09 | 0.1° | 0.1° |
| C07 | C06 | C22 | C21 | 0.8° | 0.6° |
| C07 | C06 | C22 | N23 | 179.5° | 179.7° |
| C22 | C06 | C07 | N08 | 0.3° | 0.4° |
| C06 | C22 | C21 | C09 | 0.8° | 0.5° |
| C06 | C22 | C21 | C12 | 179.8° | 179.8° |
| C06 | C22 | C21 | N23 | 178.7° | 179.7° |
| C06 | C22 | N23 | C24 | 75.0° | 44.7° |
| C06 | C22 | N23 | C30 | 52.3° | 78.9° |
| C22 | C06 | C07 | H07 | 179.7° | 179.7° |
| C07 | N08 | C09 | N10 | 180.0° | 180.0° |
| C07 | N08 | C09 | C21 | 0.1° | 0.0° |
| N08 | C09 | N10 | C21 | 179.9° | 180.0° |
| N08 | C09 | N10 | N11 | 179.9° | 180.0° |
| N08 | C09 | C21 | C12 | 179.7° | 180.0° |
| N08 | C09 | C21 | C22 | 0.3° | 0.3° |
| C09 | N08 | C07 | H07 | 179.9° | 180.0° |
| N08 | C09 | N10 | HN10 | 0.1° | 0.0° |
| C09 | N10 | N11 | HN10 | 180.0° | 179.9° |
| C09 | N10 | N11 | C12 | 0.3° | 0.0° |
| N10 | C09 | C21 | C12 | 0.2° | 0.0° |
| N10 | C09 | C21 | C22 | 179.6° | 179.7° |
| C21 | C09 | N10 | N11 | 0.0° | 0.0° |
| C09 | C21 | C12 | N11 | 0.4° | 0.0° |
| C09 | C21 | C12 | C13 | 179.4° | 180.0° |
| C09 | C21 | C12 | C22 | 179.1° | 179.7° |
| C09 | C21 | C22 | N23 | 179.5° | 179.7° |
| C21 | C09 | N10 | HN10 | 180.0° | 179.9° |
| N10 | N11 | C12 | C13 | 179.4° | 180.0° |
| N10 | N11 | C12 | C21 | 0.4° | 0.0° |
| N11 | C12 | C13 | C21 | 178.8° | 180.0° |
| N11 | C12 | C13 | C14 | 165.1° | 126.9° |
| N11 | C12 | C13 | C20 | 15.3° | 53.4° |
| N11 | C12 | C21 | C22 | 179.6° | 179.7° |
| C12 | N11 | N10 | HN10 | 179.7° | 180.0° |
| C12 | C13 | C14 | C20 | 179.7° | 179.8° |
| C12 | C13 | C14 | C15 | 179.7° | 180.0° |
| C12 | C13 | C20 | C17 | 179.8° | 179.7° |
| C13 | C12 | C21 | C22 | 1.5° | 0.3° |
| C12 | C13 | C14 | H14 | 0.3° | 0.0° |
| C12 | C13 | C20 | H20 | 0.3° | 0.0° |
| C21 | C12 | C13 | C14 | 16.1° | 53.2° |
| C21 | C12 | C13 | C20 | 163.5° | 126.6° |
| C12 | C21 | C22 | N23 | 1.5° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.1° | 0.1° |
| C14 | C13 | C20 | C17 | 0.1° | 0.5° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C13 | C20 | H20 | 179.9° | 179.8° |
| C20 | C13 | C14 | C15 | 0.0° | 0.2° |
| C13 | C20 | C17 | C16 | 0.1° | 0.5° |
| C13 | C20 | C17 | C18 | 179.9° | 179.8° |
| C13 | C20 | C17 | H20 | 180.0° | 179.7° |
| C20 | C13 | C14 | H14 | 180.0° | 179.8° |
| C14 | C15 | C16 | H15 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 0.1° | 0.1° |
| C14 | C15 | C16 | H16 | 179.8° | 179.9° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | C18 | 180.0° | 179.9° |
| C15 | C16 | C17 | C20 | 0.0° | 0.2° |
| C16 | C15 | C14 | H14 | 179.9° | 179.9° |
| C16 | C17 | C18 | C20 | 180.0° | 179.7° |
| C16 | C17 | C18 | N19 | 10.9° | 52.1° |
| C17 | C16 | C15 | H15 | 179.8° | 180.0° |
| C16 | C17 | C20 | H20 | 179.9° | 179.7° |
| C18 | C17 | C16 | H16 | 0.0° | 0.1° |
| C18 | C17 | C20 | H20 | 0.1° | 0.0° |
| C20 | C17 | C18 | N19 | 169.1° | 128.2° |
| C20 | C17 | C16 | H16 | 180.0° | 179.8° |
| C21 | C22 | N23 | C24 | 103.7° | 135.5° |
| C21 | C22 | N23 | C30 | 129.0° | 100.9° |
| C22 | N23 | C24 | C30 | 127.3° | 123.7° |
| C22 | N23 | C24 | C25 | 176.6° | 177.6° |
| C22 | N23 | C30 | C27 | 175.7° | 177.6° |
| C22 | N23 | C24 | H24 | 56.5° | 57.6° |
| C22 | N23 | C24 | H24A | 63.3° | 62.4° |
| C22 | N23 | C30 | H30 | 55.2° | 62.4° |
| C22 | N23 | C30 | H30A | 63.8° | 57.7° |
| N23 | C24 | C25 | H24 | 120.1° | 120.0° |
| N23 | C24 | C25 | H24A | 120.1° | 119.9° |
| N23 | C24 | C25 | O26 | 56.9° | 56.9° |
| C24 | N23 | C30 | C27 | 50.5° | 58.7° |
| N23 | C24 | H24 | H24A | 119.7° | 120.1° |
| N23 | C24 | C25 | H25 | 63.3° | 63.1° |
| N23 | C24 | C25 | H25A | 177.2° | 176.8° |
| C24 | N23 | C30 | H30 | 70.0° | 61.3° |
| C24 | N23 | C30 | H30A | 171.0° | 178.6° |
| C30 | N23 | C24 | C25 | 56.2° | 58.6° |
| N23 | C30 | C27 | O26 | 44.9° | 56.9° |
| N23 | C30 | C27 | C28 | 78.9° | 63.0° |
| N23 | C30 | C27 | H30 | 120.5° | 120.0° |
| N23 | C30 | C27 | H30A | 120.5° | 119.9° |
| C30 | N23 | C24 | H24 | 176.3° | 178.6° |
| C30 | N23 | C24 | H24A | 63.9° | 61.3° |
| N23 | C30 | C27 | H27 | 164.6° | 176.9° |
| N23 | C30 | H30 | H30A | 118.4° | 120.1° |
| C24 | C25 | O26 | H25 | 120.3° | 119.9° |
| C24 | C25 | O26 | H25A | 120.3° | 119.9° |
| C24 | C25 | O26 | C27 | 53.6° | 58.6° |
| C25 | C24 | H24 | H24A | 119.7° | 120.1° |
| C24 | C25 | H25 | H25A | 119.2° | 120.1° |
| C25 | O26 | C27 | C28 | 76.1° | 61.3° |
| C25 | O26 | C27 | C30 | 47.4° | 58.6° |
| O26 | C25 | C24 | H24 | 177.0° | 176.8° |
| O26 | C25 | C24 | H24A | 63.2° | 63.1° |
| O26 | C25 | H25 | H25A | 119.2° | 120.1° |
| C25 | O26 | C27 | H27 | 166.4° | 178.6° |
| O26 | C27 | C28 | C30 | 125.2° | 119.7° |
| O26 | C27 | C28 | H27 | 118.2° | 120.1° |
| O26 | C27 | C30 | H27 | 119.7° | 120.0° |
| O26 | C27 | C28 | N29 | 167.2° | 66.2° |
| C27 | O26 | C25 | H25 | 66.7° | 61.3° |
| C27 | O26 | C25 | H25A | 173.8° | 178.6° |
| O26 | C27 | C28 | H28 | 47.2° | 173.8° |
| O26 | C27 | C28 | H28A | 72.9° | 53.9° |
| O26 | C27 | C30 | H30 | 75.6° | 63.2° |
| O26 | C27 | C30 | H30A | 165.4° | 176.8° |
| C28 | C27 | C30 | H27 | 116.5° | 120.1° |
| C27 | C28 | N29 | H28 | 120.0° | 120.0° |
| C27 | C28 | N29 | H28A | 120.0° | 120.1° |
| C27 | C28 | H28 | H28A | 120.1° | 120.0° |
| C27 | C28 | N29 | HN29 | 180.0° | 56.0° |
| C27 | C28 | N29 | HN2A | 60.0° | 180.0° |
| C28 | C27 | C30 | H30 | 160.6° | 177.0° |
| C28 | C27 | C30 | H30A | 41.6° | 56.9° |
| C30 | C27 | C28 | N29 | 41.9° | 174.1° |
| C30 | C27 | C28 | H28 | 78.0° | 54.1° |
| C30 | C27 | C28 | H28A | 161.9° | 65.8° |
| C27 | C30 | H30 | H30A | 118.4° | 120.1° |
| N29 | C28 | C27 | H27 | 74.6° | 53.9° |
| N29 | C28 | H28 | H28A | 120.0° | 120.0° |
| C28 | N29 | HN29 | HN2A | 120.0° | 124.0° |
| H01 | C01 | H01A | H01B | 120.0° | 120.0° |
| H01 | C01 | C02 | H02 | 58.8° | 60.0° |
| H01 | C01 | C02 | H02A | 58.8° | 60.0° |
| H01A | C01 | C02 | H02 | 61.2° | 60.0° |
| H01A | C01 | C02 | H02A | 178.7° | 180.0° |
| H01B | C01 | C02 | H02 | 178.7° | 180.0° |
| H01B | C01 | C02 | H02A | 61.2° | 60.0° |
| H14 | C14 | C15 | H15 | 0.1° | 0.0° |
| H15 | C15 | C16 | H16 | 0.2° | 0.0° |
| H24 | C24 | C25 | H25 | 56.8° | 56.9° |
| H24 | C24 | C25 | H25A | 62.7° | 63.2° |
| H24A | C24 | C25 | H25 | 176.6° | 177.0° |
| H24A | C24 | C25 | H25A | 57.1° | 56.8° |
| H27 | C27 | C28 | H28 | 165.4° | 66.1° |
| H27 | C27 | C28 | H28A | 45.3° | 174.0° |
| H27 | C27 | C30 | H30 | 44.1° | 56.8° |
| H27 | C27 | C30 | H30A | 74.9° | 63.2° |
| H28 | C28 | N29 | HN29 | 60.0° | 64.0° |
| H28 | C28 | N29 | HN2A | 180.0° | 60.0° |
| H28A | C28 | N29 | HN29 | 60.0° | 176.1° |
| H28A | C28 | N29 | HN2A | 60.0° | 59.9° |
