4OU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.33Å | 1.32Å | |
| O17 | C16 | doub | 1.22Å | 1.24Å | |
| C18 | C16 | sing | 1.47Å | 1.47Å | |
| C16 | N15 | sing | 1.35Å | 1.33Å | |
| N15 | C12 | sing | 1.40Å | 1.44Å | |
| C11 | C12 | doub | 1.39Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.36Å | Aromatic |
| C10 | C9 | doub | 1.38Å | 1.40Å | Aromatic |
| N | CA | sing | 1.47Å | 1.45Å | |
| C13 | C14 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C14 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | CB | sing | 1.51Å | 1.49Å | |
| CA | CB | sing | 1.53Å | 1.56Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| C | O | doub | 1.21Å | 1.21Å | |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H11 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C18 | H4 | sing | 1.08Å | 1.08Å | |
| C19 | H5 | sing | 1.08Å | 1.08Å | |
| C19 | H6 | sing | 1.08Å | 1.08Å | |
| N15 | H7 | sing | 0.97Å | 1.00Å | |
| C11 | H8 | sing | 1.08Å | 1.08Å | |
| CB | H9 | sing | 1.09Å | 1.10Å | |
| CB | H10 | sing | 1.09Å | 1.10Å | |
| CA | HA | sing | 1.09Å | 1.10Å | |
| N | H | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| C | OXT | sing | 1.34Å | 1.33Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C18 | C16 | 121.0° | 120.0° |
| C19 | C18 | H4 | 119.5° | 120.0° |
| C18 | C19 | H5 | 120.0° | 120.0° |
| C18 | C19 | H6 | 120.0° | 119.9° |
| O17 | C16 | C18 | 119.9° | 120.0° |
| O17 | C16 | N15 | 127.1° | 120.0° |
| C18 | C16 | N15 | 113.0° | 120.0° |
| C16 | C18 | H4 | 119.5° | 120.0° |
| C16 | N15 | C12 | 123.9° | 120.0° |
| C16 | N15 | H7 | 118.1° | 120.0° |
| N15 | C12 | C11 | 124.4° | 120.1° |
| N15 | C12 | C13 | 116.5° | 120.0° |
| C12 | N15 | H7 | 118.0° | 120.0° |
| C12 | C11 | C10 | 122.6° | 119.9° |
| C11 | C12 | C13 | 119.0° | 119.9° |
| C12 | C11 | H8 | 118.7° | 120.0° |
| C11 | C10 | C9 | 118.3° | 120.1° |
| C11 | C10 | H1 | 120.9° | 120.0° |
| C10 | C11 | H8 | 118.7° | 120.1° |
| C12 | C13 | C14 | 120.6° | 119.9° |
| C12 | C13 | H11 | 119.7° | 120.0° |
| C10 | C9 | C14 | 118.6° | 120.1° |
| C10 | C9 | CB | 122.0° | 120.0° |
| C9 | C10 | H1 | 120.8° | 119.9° |
| N | CA | CB | 107.1° | 109.5° |
| N | CA | C | 113.0° | 109.5° |
| N | CA | HA | 107.4° | 109.4° |
| CA | N | H | 109.5° | 111.0° |
| CA | N | H2 | 109.5° | 111.0° |
| C13 | C14 | C9 | 120.8° | 120.1° |
| C14 | C13 | H11 | 119.7° | 120.0° |
| C13 | C14 | H3 | 119.6° | 120.0° |
| C14 | C9 | CB | 119.3° | 119.9° |
| C9 | C14 | H3 | 119.6° | 120.0° |
| C9 | CB | CA | 113.6° | 109.4° |
| C9 | CB | H9 | 108.4° | 109.5° |
| C9 | CB | H10 | 108.4° | 109.5° |
| CB | CA | C | 116.0° | 109.5° |
| CA | CB | H9 | 108.4° | 109.5° |
| CA | CB | H10 | 108.4° | 109.5° |
| CB | CA | HA | 106.2° | 109.5° |
| CA | C | O | 117.0° | 120.0° |
| C | CA | HA | 106.7° | 109.5° |
| CA | C | OXT | 118.4° | 120.0° |
| O | C | OXT | 124.6° | 120.0° |
| H5 | C19 | H6 | 120.0° | 120.0° |
| H9 | CB | H10 | 109.5° | 109.5° |
| H | N | H2 | 109.5° | 111.0° |
| C | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C18 | C16 | O17 | 0.1° | 0.1° |
| C19 | C18 | C16 | H4 | 180.0° | 179.9° |
| C19 | C18 | C16 | N15 | 178.0° | 180.0° |
| C18 | C19 | H5 | H6 | 180.0° | 180.0° |
| O17 | C16 | C18 | N15 | 178.1° | 179.9° |
| O17 | C16 | N15 | C12 | 4.8° | 5.3° |
| O17 | C16 | C18 | H4 | 179.9° | 180.0° |
| O17 | C16 | N15 | H7 | 175.2° | 174.7° |
| C18 | C16 | N15 | C12 | 177.3° | 174.7° |
| C16 | C18 | C19 | H5 | 180.0° | 0.0° |
| C16 | C18 | C19 | H6 | 0.0° | 180.0° |
| C18 | C16 | N15 | H7 | 2.8° | 5.2° |
| C16 | N15 | C12 | H7 | 180.0° | 180.0° |
| C16 | N15 | C12 | C11 | 32.4° | 33.7° |
| C16 | N15 | C12 | C13 | 150.5° | 146.8° |
| N15 | C16 | C18 | H4 | 2.0° | 0.1° |
| N15 | C12 | C11 | C13 | 177.0° | 179.5° |
| N15 | C12 | C11 | C10 | 179.2° | 179.7° |
| N15 | C12 | C13 | C14 | 179.7° | 180.0° |
| N15 | C12 | C13 | H11 | 0.3° | 0.0° |
| N15 | C12 | C11 | H8 | 0.8° | 0.5° |
| C12 | C11 | C10 | H8 | 180.0° | 179.8° |
| C12 | C11 | C10 | C9 | 0.6° | 0.0° |
| C11 | C12 | C13 | C14 | 3.0° | 0.5° |
| C12 | C11 | C10 | H1 | 179.4° | 180.0° |
| C11 | C12 | C13 | H11 | 177.0° | 179.5° |
| C11 | C12 | N15 | H7 | 147.6° | 146.3° |
| C10 | C11 | C12 | C13 | 2.2° | 0.2° |
| C11 | C10 | C9 | H1 | 180.0° | 180.0° |
| C11 | C10 | C9 | C14 | 0.0° | 0.0° |
| C11 | C10 | C9 | CB | 176.4° | 179.7° |
| C12 | C13 | C14 | H11 | 180.0° | 180.0° |
| C12 | C13 | C14 | C9 | 2.5° | 0.5° |
| C12 | C13 | C14 | H3 | 177.5° | 179.5° |
| C13 | C12 | N15 | H7 | 29.5° | 33.2° |
| C13 | C12 | C11 | H8 | 177.8° | 180.0° |
| C10 | C9 | C14 | C13 | 0.9° | 0.3° |
| C10 | C9 | C14 | CB | 176.6° | 179.7° |
| C10 | C9 | CB | CA | 59.9° | 89.7° |
| C10 | C9 | C14 | H3 | 179.1° | 179.7° |
| C9 | C10 | C11 | H8 | 179.4° | 179.8° |
| C10 | C9 | CB | H9 | 179.5° | 30.2° |
| C10 | C9 | CB | H10 | 60.7° | 150.3° |
| N | CA | CB | C9 | 94.7° | 65.0° |
| N | CA | CB | C | 127.2° | 120.0° |
| N | CA | CB | HA | 114.5° | 120.0° |
| N | CA | C | HA | 117.8° | 120.0° |
| N | CA | C | O | 158.9° | 20.1° |
| N | CA | CB | H9 | 144.7° | 175.0° |
| N | CA | CB | H10 | 25.9° | 55.0° |
| CA | N | H | H2 | 120.0° | 123.9° |
| N | CA | C | OXT | 24.1° | 160.0° |
| C13 | C14 | C9 | H3 | 180.0° | 180.0° |
| C13 | C14 | C9 | CB | 177.4° | 180.0° |
| C14 | C9 | CB | CA | 116.6° | 90.0° |
| C14 | C9 | C10 | H1 | 180.0° | 179.9° |
| C9 | C14 | C13 | H11 | 177.6° | 179.5° |
| C14 | C9 | CB | H9 | 4.1° | 150.1° |
| C14 | C9 | CB | H10 | 122.8° | 30.0° |
| C9 | CB | CA | H9 | 120.6° | 120.0° |
| C9 | CB | CA | H10 | 120.6° | 120.0° |
| C9 | CB | CA | C | 138.1° | 175.0° |
| CB | C9 | C10 | H1 | 3.6° | 0.2° |
| CB | C9 | C14 | H3 | 2.6° | 0.0° |
| C9 | CB | H9 | H10 | 118.1° | 120.0° |
| C9 | CB | CA | HA | 19.8° | 55.0° |
| CB | CA | C | HA | 118.1° | 120.0° |
| CB | CA | C | O | 34.8° | 100.0° |
| CA | CB | H9 | H10 | 118.1° | 120.0° |
| CB | CA | N | H | 180.0° | 176.1° |
| CB | CA | N | H2 | 60.0° | 60.0° |
| CB | CA | C | OXT | 148.3° | 79.9° |
| CA | C | O | OXT | 176.8° | 179.9° |
| C | CA | CB | H9 | 17.5° | 55.0° |
| C | CA | CB | H10 | 101.3° | 65.0° |
| C | CA | N | H | 51.1° | 63.9° |
| C | CA | N | H2 | 69.0° | 60.0° |
| CA | C | OXT | HXT | 176.8° | 180.0° |
| O | C | CA | HA | 83.3° | 140.0° |
| O | C | OXT | HXT | 0.0° | 0.1° |
| H1 | C10 | C11 | H8 | 0.6° | 0.2° |
| H11 | C13 | C14 | H3 | 2.4° | 0.5° |
| H4 | C18 | C19 | H5 | 0.0° | 179.9° |
| H4 | C18 | C19 | H6 | 180.0° | 0.0° |
| H9 | CB | CA | HA | 100.8° | 65.0° |
| H10 | CB | CA | HA | 140.4° | 175.0° |
| HA | CA | N | H | 66.3° | 56.0° |
| HA | CA | N | H2 | 173.7° | 180.0° |
| HA | CA | C | OXT | 93.7° | 40.1° |
