4AF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C8 | sing | 1.51Å | 1.53Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C8 | O2 | doub | 1.21Å | 1.23Å | |
| C8 | C7 | sing | 1.47Å | 1.51Å | |
| C7 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.37Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.51Å | 1.51Å | |
| C3 | CA | sing | 1.53Å | 1.49Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| CA | C | sing | 1.51Å | 1.54Å | |
| CA | N | sing | 1.47Å | 1.47Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| C | OXT | sing | 1.34Å | 1.22Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | C11 | H111 | 109.5° | 109.5° |
| C8 | C11 | H112 | 109.5° | 109.5° |
| C8 | C11 | H113 | 109.4° | 109.5° |
| C11 | C8 | O2 | 121.1° | 120.0° |
| C11 | C8 | C7 | 121.6° | 120.0° |
| H111 | C11 | H112 | 109.4° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| O2 | C8 | C7 | 117.3° | 120.0° |
| C8 | C7 | C9 | 115.1° | 120.2° |
| C8 | C7 | C6 | 123.2° | 120.2° |
| C9 | C7 | C6 | 121.6° | 119.6° |
| C7 | C9 | C10 | 119.7° | 119.8° |
| C7 | C9 | H9 | 120.1° | 120.1° |
| C7 | C6 | C5 | 118.0° | 119.8° |
| C7 | C6 | H6 | 121.0° | 120.0° |
| C10 | C9 | H9 | 120.2° | 120.1° |
| C9 | C10 | C4 | 119.6° | 120.2° |
| C9 | C10 | H10 | 120.2° | 119.9° |
| C4 | C10 | H10 | 120.2° | 119.9° |
| C10 | C4 | C5 | 120.9° | 120.3° |
| C10 | C4 | C3 | 116.4° | 119.8° |
| C5 | C6 | H6 | 121.0° | 120.2° |
| C6 | C5 | C4 | 120.2° | 120.2° |
| C6 | C5 | H5 | 119.9° | 119.9° |
| C4 | C5 | H5 | 119.9° | 119.9° |
| C5 | C4 | C3 | 122.7° | 119.9° |
| C4 | C3 | CA | 112.9° | 109.4° |
| C4 | C3 | H31 | 108.3° | 109.5° |
| C4 | C3 | H32 | 107.6° | 109.5° |
| CA | C3 | H31 | 108.3° | 109.5° |
| CA | C3 | H32 | 107.5° | 109.5° |
| C3 | CA | C | 106.6° | 109.5° |
| C3 | CA | N | 108.3° | 109.5° |
| C3 | CA | HA | 112.9° | 109.5° |
| H31 | C3 | H32 | 112.2° | 109.5° |
| C | CA | N | 111.8° | 109.5° |
| C | CA | HA | 109.5° | 109.5° |
| CA | C | OXT | 120.0° | 120.0° |
| CA | C | O | 121.4° | 120.1° |
| N | CA | HA | 107.8° | 109.5° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| OXT | C | O | 118.6° | 120.0° |
| C | OXT | HXT | 109.5° | 117.0° |
| H | N | H2 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | C11 | H111 | H112 | 120.0° | 120.0° |
| C8 | C11 | H111 | H113 | 120.0° | 120.0° |
| C8 | C11 | H112 | H113 | 120.0° | 120.0° |
| C11 | C8 | O2 | C7 | 178.6° | 180.0° |
| C11 | C8 | C7 | C9 | 177.0° | 180.0° |
| C11 | C8 | C7 | C6 | 4.8° | 0.3° |
| H111 | C11 | H112 | H113 | 120.0° | 120.0° |
| H111 | C11 | C8 | O2 | 133.3° | 0.0° |
| H111 | C11 | C8 | C7 | 48.2° | 180.0° |
| H112 | C11 | C8 | O2 | 106.7° | 120.0° |
| H112 | C11 | C8 | C7 | 71.8° | 60.0° |
| H113 | C11 | C8 | O2 | 13.3° | 120.0° |
| H113 | C11 | C8 | C7 | 168.2° | 60.0° |
| O2 | C8 | C7 | C9 | 4.5° | 0.0° |
| O2 | C8 | C7 | C6 | 173.7° | 179.7° |
| C8 | C7 | C9 | C6 | 178.2° | 179.7° |
| C8 | C7 | C9 | C10 | 179.0° | 180.0° |
| C8 | C7 | C9 | H9 | 1.1° | 0.0° |
| C8 | C7 | C6 | C5 | 178.3° | 180.0° |
| C8 | C7 | C6 | H6 | 1.7° | 0.0° |
| C7 | C9 | C10 | H9 | 180.0° | 180.0° |
| C7 | C9 | C10 | C4 | 1.2° | 0.0° |
| C7 | C9 | C10 | H10 | 178.7° | 180.0° |
| C9 | C7 | C6 | C5 | 0.2° | 0.3° |
| C9 | C7 | C6 | H6 | 179.8° | 179.7° |
| C6 | C7 | C9 | C10 | 0.7° | 0.3° |
| C6 | C7 | C9 | H9 | 179.3° | 179.7° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| C7 | C6 | C5 | H5 | 179.8° | 180.0° |
| C9 | C10 | C4 | H10 | 180.0° | 180.0° |
| C9 | C10 | C4 | C5 | 1.2° | 0.2° |
| C9 | C10 | C4 | C3 | 178.8° | 180.0° |
| H9 | C9 | C10 | C4 | 178.8° | 180.0° |
| H9 | C9 | C10 | H10 | 1.2° | 0.0° |
| C10 | C4 | C5 | C6 | 0.7° | 0.2° |
| C10 | C4 | C5 | C3 | 177.4° | 179.8° |
| C10 | C4 | C5 | H5 | 179.3° | 179.7° |
| C10 | C4 | C3 | CA | 128.4° | 90.0° |
| C10 | C4 | C3 | H31 | 111.7° | 150.0° |
| C10 | C4 | C3 | H32 | 9.9° | 29.9° |
| H10 | C10 | C4 | C5 | 178.7° | 179.8° |
| H10 | C10 | C4 | C3 | 1.2° | 0.0° |
| C6 | C5 | C4 | H5 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 178.1° | 180.0° |
| H6 | C6 | C5 | C4 | 179.8° | 180.0° |
| H6 | C6 | C5 | H5 | 0.2° | 0.0° |
| C5 | C4 | C3 | CA | 54.1° | 89.8° |
| C5 | C4 | C3 | H31 | 65.9° | 30.2° |
| C5 | C4 | C3 | H32 | 172.6° | 150.3° |
| H5 | C5 | C4 | C3 | 1.9° | 0.1° |
| C4 | C3 | CA | H31 | 120.0° | 120.0° |
| C4 | C3 | CA | H32 | 118.5° | 120.0° |
| C4 | C3 | H31 | H32 | 118.6° | 120.1° |
| C4 | C3 | CA | C | 179.8° | 175.0° |
| C4 | C3 | CA | N | 59.4° | 65.0° |
| C4 | C3 | CA | HA | 59.9° | 55.0° |
| CA | C3 | H31 | H32 | 118.6° | 120.0° |
| C3 | CA | C | N | 118.2° | 120.0° |
| C3 | CA | C | HA | 122.4° | 120.0° |
| C3 | CA | N | HA | 122.5° | 120.0° |
| C3 | CA | C | OXT | 150.7° | 80.0° |
| C3 | CA | C | O | 29.5° | 100.0° |
| C3 | CA | N | H | 63.9° | 176.1° |
| C3 | CA | N | H2 | 176.1° | 60.0° |
| H31 | C3 | CA | C | 60.2° | 55.0° |
| H31 | C3 | CA | N | 179.4° | 175.0° |
| H31 | C3 | CA | HA | 60.0° | 65.0° |
| H32 | C3 | CA | C | 61.3° | 65.0° |
| H32 | C3 | CA | N | 59.1° | 55.0° |
| H32 | C3 | CA | HA | 178.5° | 175.0° |
| C | CA | N | HA | 120.4° | 120.1° |
| CA | C | OXT | O | 179.8° | 179.9° |
| CA | C | OXT | HXT | 179.8° | 180.0° |
| C | CA | N | H | 178.9° | 64.0° |
| C | CA | N | H2 | 58.9° | 60.0° |
| N | CA | C | OXT | 32.5° | 160.0° |
| N | CA | C | O | 147.7° | 19.9° |
| CA | N | H | H2 | 120.0° | 123.9° |
| HA | CA | C | OXT | 86.9° | 40.0° |
| HA | CA | C | O | 92.9° | 139.9° |
| HA | CA | N | H | 58.5° | 56.1° |
| HA | CA | N | H2 | 61.4° | 180.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
