4AM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | O1A | doub | 1.21Å | 1.24Å | |
| C1 | O1B | sing | 1.35Å | 1.25Å | |
| C1 | C2 | sing | 1.47Å | 1.40Å | |
| O1B | HOB1 | sing | 0.97Å | 0.95Å | |
| C2 | C3 | doub | 1.32Å | 1.38Å | |
| C2 | O6 | sing | 1.34Å | 1.40Å | |
| C3 | C4 | sing | 1.51Å | 1.53Å | |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | N4 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| C4 | H4 | sing | 1.09Å | 1.12Å | |
| N4 | HN41 | sing | 1.01Å | 1.02Å | |
| N4 | HN42 | sing | 1.01Å | 1.02Å | |
| C5 | N5 | sing | 1.46Å | 1.48Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| N5 | C10 | sing | 1.35Å | 1.33Å | |
| N5 | HN5 | sing | 0.97Å | 1.02Å | |
| C10 | O10 | doub | 1.21Å | 1.24Å | |
| C10 | C11 | sing | 1.51Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.12Å | |
| C11 | H113 | sing | 1.09Å | 1.11Å | |
| C6 | O6 | sing | 1.42Å | 1.41Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| C7 | O7 | sing | 1.43Å | 1.41Å | |
| C7 | C8 | sing | 1.53Å | 1.52Å | |
| C7 | H7 | sing | 1.09Å | 1.12Å | |
| O7 | HO7 | sing | 0.97Å | 0.95Å | |
| C8 | O8 | sing | 1.43Å | 1.36Å | |
| C8 | C9 | sing | 1.53Å | 1.51Å | |
| C8 | H8 | sing | 1.09Å | 1.11Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å | |
| C9 | O9 | sing | 1.43Å | 1.38Å | |
| C9 | H91 | sing | 1.09Å | 1.11Å | |
| C9 | H92 | sing | 1.09Å | 1.11Å | |
| O9 | HO9 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1A | C1 | O1B | 121.3° | 120.0° |
| O1A | C1 | C2 | 116.9° | 120.0° |
| O1B | C1 | C2 | 121.6° | 120.0° |
| C1 | O1B | HOB1 | 121.3° | 120.0° |
| C1 | C2 | C3 | 122.5° | 116.8° |
| C1 | C2 | O6 | 119.0° | 116.8° |
| C3 | C2 | O6 | 118.5° | 126.5° |
| C2 | C3 | C4 | 122.7° | 122.3° |
| C2 | C3 | H3 | 113.0° | 118.9° |
| C2 | O6 | C6 | 117.9° | 110.2° |
| C4 | C3 | H3 | 124.2° | 118.9° |
| C3 | C4 | N4 | 106.5° | 109.8° |
| C3 | C4 | C5 | 110.6° | 108.1° |
| C3 | C4 | H4 | 111.4° | 109.7° |
| N4 | C4 | C5 | 111.6° | 109.8° |
| N4 | C4 | H4 | 110.4° | 109.7° |
| C4 | N4 | HN41 | 106.5° | 106.7° |
| C4 | N4 | HN42 | 113.3° | 106.7° |
| C5 | C4 | H4 | 106.3° | 109.7° |
| C4 | C5 | N5 | 107.8° | 109.9° |
| C4 | C5 | C6 | 108.9° | 107.5° |
| C4 | C5 | H5 | 110.8° | 109.9° |
| HN41 | N4 | HN42 | 113.3° | 106.7° |
| N5 | C5 | C6 | 109.2° | 109.9° |
| N5 | C5 | H5 | 110.6° | 109.7° |
| C5 | N5 | C10 | 120.3° | 120.1° |
| C5 | N5 | HN5 | 125.1° | 119.9° |
| C6 | C5 | H5 | 109.5° | 109.9° |
| C5 | C6 | O6 | 107.5° | 109.3° |
| C5 | C6 | C7 | 112.3° | 109.7° |
| C5 | C6 | H6 | 108.6° | 109.4° |
| C10 | N5 | HN5 | 114.6° | 120.0° |
| N5 | C10 | O10 | 122.9° | 120.0° |
| N5 | C10 | C11 | 117.8° | 120.0° |
| O10 | C10 | C11 | 119.3° | 120.0° |
| C10 | C11 | H111 | 117.8° | 109.5° |
| C10 | C11 | H112 | 109.2° | 109.5° |
| C10 | C11 | H113 | 109.3° | 109.5° |
| H111 | C11 | H112 | 109.2° | 109.4° |
| H111 | C11 | H113 | 109.2° | 109.5° |
| H112 | C11 | H113 | 100.9° | 109.4° |
| O6 | C6 | C7 | 108.4° | 109.5° |
| O6 | C6 | H6 | 112.5° | 109.5° |
| C7 | C6 | H6 | 107.7° | 109.5° |
| C6 | C7 | O7 | 109.8° | 109.4° |
| C6 | C7 | C8 | 109.9° | 109.5° |
| C6 | C7 | H7 | 109.2° | 109.5° |
| O7 | C7 | C8 | 110.1° | 109.4° |
| O7 | C7 | H7 | 108.9° | 109.4° |
| C7 | O7 | HO7 | 109.8° | 106.8° |
| C8 | C7 | H7 | 108.9° | 109.5° |
| C7 | C8 | O8 | 101.9° | 109.4° |
| C7 | C8 | C9 | 115.1° | 109.5° |
| C7 | C8 | H8 | 110.2° | 109.5° |
| O8 | C8 | C9 | 107.3° | 109.4° |
| O8 | C8 | H8 | 117.6° | 109.4° |
| C8 | O8 | HO8 | 101.9° | 106.8° |
| C9 | C8 | H8 | 105.1° | 109.5° |
| C8 | C9 | O9 | 111.4° | 109.5° |
| C8 | C9 | H91 | 111.5° | 109.5° |
| C8 | C9 | H92 | 111.5° | 109.5° |
| O9 | C9 | H91 | 111.5° | 109.4° |
| O9 | C9 | H92 | 111.5° | 109.5° |
| C9 | O9 | HO9 | 111.4° | 106.8° |
| H91 | C9 | H92 | 99.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1A | C1 | O1B | C2 | 175.6° | 180.0° |
| O1A | C1 | O1B | HOB1 | 180.0° | 0.0° |
| O1A | C1 | C2 | C3 | 169.6° | 0.0° |
| O1A | C1 | C2 | O6 | 9.5° | 180.0° |
| O1B | C1 | C2 | C3 | 6.2° | 180.0° |
| O1B | C1 | C2 | O6 | 174.7° | 0.0° |
| C2 | C1 | O1B | HOB1 | 4.3° | 180.0° |
| C1 | C2 | C3 | O6 | 179.1° | 180.0° |
| C1 | C2 | C3 | C4 | 177.7° | 179.1° |
| C1 | C2 | C3 | H3 | 2.3° | 0.8° |
| C1 | C2 | O6 | C6 | 153.6° | 156.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N4 | 133.5° | 131.7° |
| C2 | C3 | C4 | C5 | 12.0° | 11.9° |
| C2 | C3 | C4 | H4 | 106.0° | 107.7° |
| C3 | C2 | O6 | C6 | 25.5° | 23.9° |
| O6 | C2 | C3 | C4 | 1.4° | 0.8° |
| O6 | C2 | C3 | H3 | 178.6° | 179.2° |
| C2 | O6 | C6 | C5 | 57.2° | 56.9° |
| C2 | O6 | C6 | C7 | 178.8° | 177.0° |
| C2 | O6 | C6 | H6 | 62.2° | 62.9° |
| C3 | C4 | N4 | C5 | 120.8° | 118.7° |
| C3 | C4 | N4 | H4 | 121.1° | 120.7° |
| C3 | C4 | C5 | H4 | 121.1° | 119.6° |
| C3 | C4 | N4 | HN41 | 180.0° | 61.3° |
| C3 | C4 | N4 | HN42 | 54.7° | 175.0° |
| C3 | C4 | C5 | N5 | 160.6° | 162.3° |
| C3 | C4 | C5 | C6 | 42.3° | 42.6° |
| C3 | C4 | C5 | H5 | 78.2° | 76.9° |
| H3 | C3 | C4 | N4 | 46.5° | 48.4° |
| H3 | C3 | C4 | C5 | 168.0° | 168.1° |
| H3 | C3 | C4 | H4 | 74.0° | 72.3° |
| N4 | C4 | C5 | H4 | 120.5° | 120.6° |
| C4 | N4 | HN41 | HN42 | 125.2° | 113.7° |
| N4 | C4 | C5 | N5 | 81.0° | 78.0° |
| N4 | C4 | C5 | C6 | 160.7° | 162.4° |
| N4 | C4 | C5 | H5 | 40.2° | 42.8° |
| C5 | C4 | N4 | HN41 | 59.2° | 180.0° |
| C5 | C4 | N4 | HN42 | 175.6° | 66.3° |
| C4 | C5 | N5 | C6 | 118.2° | 118.1° |
| C4 | C5 | N5 | H5 | 121.3° | 120.9° |
| C4 | C5 | C6 | H5 | 121.3° | 119.5° |
| C4 | C5 | N5 | C10 | 109.4° | 90.9° |
| C4 | C5 | N5 | HN5 | 70.5° | 89.1° |
| C4 | C5 | C6 | O6 | 64.9° | 68.5° |
| C4 | C5 | C6 | C7 | 175.9° | 171.4° |
| C4 | C5 | C6 | H6 | 57.0° | 51.4° |
| H4 | C4 | N4 | HN41 | 58.8° | 59.4° |
| H4 | C4 | N4 | HN42 | 66.4° | 54.3° |
| H4 | C4 | C5 | N5 | 39.5° | 42.6° |
| H4 | C4 | C5 | C6 | 78.9° | 77.0° |
| H4 | C4 | C5 | H5 | 160.6° | 163.4° |
| N5 | C5 | C6 | H5 | 121.2° | 120.9° |
| C5 | N5 | C10 | HN5 | 179.9° | 180.0° |
| C5 | N5 | C10 | O10 | 2.3° | 0.0° |
| C5 | N5 | C10 | C11 | 179.0° | 180.0° |
| N5 | C5 | C6 | O6 | 177.6° | 171.9° |
| N5 | C5 | C6 | C7 | 58.5° | 51.8° |
| N5 | C5 | C6 | H6 | 60.5° | 68.2° |
| C6 | C5 | N5 | C10 | 132.4° | 151.0° |
| C6 | C5 | N5 | HN5 | 47.7° | 29.1° |
| C5 | C6 | O6 | C7 | 121.6° | 120.1° |
| C5 | C6 | O6 | H6 | 119.4° | 119.8° |
| C5 | C6 | C7 | H6 | 119.5° | 120.0° |
| C5 | C6 | C7 | O7 | 58.0° | 59.9° |
| C5 | C6 | C7 | C8 | 179.3° | 179.9° |
| C5 | C6 | C7 | H7 | 61.4° | 60.1° |
| H5 | C5 | N5 | C10 | 11.8° | 30.0° |
| H5 | C5 | N5 | HN5 | 168.2° | 150.0° |
| H5 | C5 | C6 | O6 | 56.4° | 51.0° |
| H5 | C5 | C6 | C7 | 62.8° | 69.0° |
| H5 | C5 | C6 | H6 | 178.3° | 170.9° |
| N5 | C10 | O10 | C11 | 178.7° | 180.0° |
| N5 | C10 | C11 | H111 | 180.0° | 180.0° |
| N5 | C10 | C11 | H112 | 54.8° | 60.0° |
| N5 | C10 | C11 | H113 | 54.7° | 60.0° |
| HN5 | N5 | C10 | O10 | 177.7° | 180.0° |
| HN5 | N5 | C10 | C11 | 1.0° | 0.0° |
| O10 | C10 | C11 | H111 | 1.3° | 0.0° |
| O10 | C10 | C11 | H112 | 126.5° | 120.0° |
| O10 | C10 | C11 | H113 | 124.0° | 120.1° |
| C10 | C11 | H111 | H112 | 125.2° | 120.0° |
| C10 | C11 | H111 | H113 | 125.3° | 120.1° |
| C10 | C11 | H112 | H113 | 115.0° | 120.0° |
| H111 | C11 | H112 | H113 | 114.9° | 120.0° |
| O6 | C6 | C7 | H6 | 121.9° | 120.1° |
| O6 | C6 | C7 | O7 | 60.6° | 60.0° |
| O6 | C6 | C7 | C8 | 60.7° | 60.0° |
| O6 | C6 | C7 | H7 | 180.0° | 180.0° |
| C6 | C7 | O7 | C8 | 121.1° | 120.0° |
| C6 | C7 | O7 | H7 | 119.5° | 120.0° |
| C6 | C7 | C8 | H7 | 119.5° | 120.1° |
| C6 | C7 | O7 | HO7 | 180.0° | 60.0° |
| C6 | C7 | C8 | O8 | 69.0° | 60.0° |
| C6 | C7 | C8 | C9 | 175.2° | 180.0° |
| C6 | C7 | C8 | H8 | 56.6° | 59.9° |
| H6 | C6 | C7 | O7 | 177.4° | 179.9° |
| H6 | C6 | C7 | C8 | 61.3° | 60.1° |
| H6 | C6 | C7 | H7 | 58.1° | 59.9° |
| O7 | C7 | C8 | H7 | 119.4° | 119.9° |
| O7 | C7 | C8 | O8 | 169.9° | 180.0° |
| O7 | C7 | C8 | C9 | 54.1° | 60.0° |
| O7 | C7 | C8 | H8 | 64.5° | 60.1° |
| C8 | C7 | O7 | HO7 | 58.9° | 60.0° |
| C7 | C8 | O8 | C9 | 121.3° | 120.0° |
| C7 | C8 | O8 | H8 | 120.5° | 120.0° |
| C7 | C8 | C9 | H8 | 121.4° | 120.1° |
| C7 | C8 | O8 | HO8 | 180.0° | 60.0° |
| C7 | C8 | C9 | O9 | 50.9° | 180.0° |
| C7 | C8 | C9 | H91 | 176.1° | 60.0° |
| C7 | C8 | C9 | H92 | 74.4° | 59.9° |
| H7 | C7 | O7 | HO7 | 60.5° | 180.0° |
| H7 | C7 | C8 | O8 | 50.5° | 60.1° |
| H7 | C7 | C8 | C9 | 65.3° | 59.9° |
| H7 | C7 | C8 | H8 | 176.1° | 180.0° |
| O8 | C8 | C9 | H8 | 126.0° | 120.0° |
| O8 | C8 | C9 | O9 | 61.7° | 60.1° |
| O8 | C8 | C9 | H91 | 63.5° | 180.0° |
| O8 | C8 | C9 | H92 | 173.0° | 60.0° |
| C9 | C8 | O8 | HO8 | 58.7° | 60.0° |
| C8 | C9 | O9 | H91 | 125.2° | 120.0° |
| C8 | C9 | O9 | H92 | 125.2° | 120.1° |
| C8 | C9 | H91 | H92 | 117.4° | 120.0° |
| C8 | C9 | O9 | HO9 | 180.0° | 180.0° |
| H8 | C8 | O8 | HO8 | 59.5° | 180.0° |
| H8 | C8 | C9 | O9 | 172.3° | 59.9° |
| H8 | C8 | C9 | H91 | 62.5° | 60.0° |
| H8 | C8 | C9 | H92 | 47.0° | 180.0° |
| O9 | C9 | H91 | H92 | 117.4° | 120.0° |
| H91 | C9 | O9 | HO9 | 54.8° | 60.0° |
| H92 | C9 | O9 | HO9 | 54.8° | 59.9° |
