5UR
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | CG | sing | 1.74Å | 1.73Å | |
| CD2 | CG | doub | 1.38Å | 1.37Å | Aromatic |
| CD2 | CE2 | sing | 1.38Å | 1.39Å | Aromatic |
| CL2 | CE2 | sing | 1.74Å | 1.74Å | |
| CG | CD1 | sing | 1.38Å | 1.39Å | Aromatic |
| CE2 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| CD1 | CE1 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C | sing | 1.51Å | 1.47Å | |
| C | CA | sing | 1.53Å | 1.49Å | |
| C | O | sing | 1.45Å | 1.27Å | |
| OH | C8 | doub | 1.21Å | 1.22Å | |
| CA | N | sing | 1.46Å | 1.49Å | |
| O | C8 | sing | 1.35Å | 1.37Å | |
| C8 | C9 | sing | 1.48Å | 1.47Å | |
| C17 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C17 | C18 | doub | 1.35Å | 1.38Å | Aromatic |
| N | C19 | sing | 1.35Å | 1.36Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | N2 | doub | 1.30Å | 1.32Å | Aromatic |
| F1 | C15 | sing | 1.40Å | 1.36Å | |
| C13 | C15 | sing | 1.51Å | 1.53Å | |
| C13 | C12 | doub | 1.38Å | 1.38Å | Aromatic |
| F3 | C15 | sing | 1.40Å | 1.36Å | |
| C15 | F2 | sing | 1.40Å | 1.35Å | |
| C11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C14 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.08Å | 1.08Å | |
| CD1 | H6 | sing | 1.08Å | 1.08Å | |
| CE1 | H7 | sing | 1.08Å | 1.08Å | |
| CD2 | H8 | sing | 1.08Å | 1.08Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.08Å | 1.08Å | |
| CA | H11 | sing | 1.09Å | 1.10Å | |
| CA | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | CG | CD2 | 118.3° | 120.0° |
| CL1 | CG | CD1 | 119.9° | 120.0° |
| CG | CD2 | CE2 | 117.3° | 120.0° |
| CD2 | CG | CD1 | 121.7° | 119.9° |
| CG | CD2 | H8 | 121.4° | 120.0° |
| CD2 | CE2 | CL2 | 116.2° | 120.0° |
| CD2 | CE2 | C4 | 123.1° | 120.0° |
| CE2 | CD2 | H8 | 121.3° | 120.0° |
| CL2 | CE2 | C4 | 120.7° | 120.0° |
| CG | CD1 | CE1 | 119.9° | 120.1° |
| CG | CD1 | H6 | 120.1° | 120.0° |
| CE2 | C4 | CE1 | 117.4° | 120.0° |
| CE2 | C4 | C | 119.6° | 120.0° |
| CD1 | CE1 | C4 | 120.5° | 120.1° |
| CE1 | CD1 | H6 | 120.0° | 120.0° |
| CD1 | CE1 | H7 | 119.7° | 120.0° |
| CE1 | C4 | C | 122.9° | 120.0° |
| C4 | CE1 | H7 | 119.8° | 120.0° |
| C4 | C | CA | 104.0° | 109.5° |
| C4 | C | O | 104.9° | 109.5° |
| C4 | C | H9 | 109.7° | 109.4° |
| CA | C | O | 115.1° | 109.5° |
| C | CA | N | 111.7° | 109.5° |
| CA | C | H9 | 109.5° | 109.5° |
| C | CA | H11 | 108.9° | 109.5° |
| C | CA | H12 | 108.9° | 109.5° |
| C | O | C8 | 122.2° | 117.0° |
| O | C | H9 | 113.0° | 109.5° |
| OH | C8 | O | 127.0° | 120.0° |
| OH | C8 | C9 | 122.0° | 120.0° |
| CA | N | C17 | 128.4° | 126.4° |
| CA | N | C19 | 125.9° | 126.4° |
| N | CA | H11 | 108.9° | 109.4° |
| N | CA | H12 | 108.9° | 109.5° |
| O | C8 | C9 | 110.6° | 120.0° |
| C8 | C9 | C14 | 120.7° | 120.2° |
| C8 | C9 | C10 | 120.7° | 120.2° |
| N | C17 | C18 | 105.9° | 106.8° |
| C17 | N | C19 | 105.7° | 107.2° |
| N | C17 | H4 | 127.0° | 126.6° |
| C17 | C18 | N2 | 110.9° | 108.0° |
| C18 | C17 | H4 | 127.0° | 126.6° |
| C17 | C18 | H5 | 124.6° | 126.0° |
| N | C19 | N2 | 114.4° | 108.7° |
| N | C19 | H13 | 122.8° | 125.6° |
| C14 | C9 | C10 | 118.5° | 119.7° |
| C9 | C14 | C13 | 123.2° | 119.9° |
| C9 | C14 | H3 | 118.4° | 120.1° |
| C9 | C10 | C11 | 119.5° | 119.9° |
| C9 | C10 | H1 | 120.2° | 120.1° |
| C18 | N2 | C19 | 103.1° | 109.3° |
| N2 | C18 | H5 | 124.6° | 126.0° |
| C14 | C13 | C15 | 123.2° | 119.9° |
| C14 | C13 | C12 | 117.1° | 120.2° |
| C13 | C14 | H3 | 118.4° | 120.1° |
| C10 | C11 | C12 | 120.7° | 120.2° |
| C11 | C10 | H1 | 120.2° | 120.1° |
| C10 | C11 | H2 | 119.7° | 119.9° |
| N2 | C19 | H13 | 122.8° | 125.7° |
| F1 | C15 | C13 | 116.3° | 109.5° |
| F1 | C15 | F3 | 103.6° | 109.5° |
| F1 | C15 | F2 | 103.7° | 109.5° |
| C15 | C13 | C12 | 119.7° | 119.9° |
| C13 | C15 | F3 | 116.2° | 109.5° |
| C13 | C15 | F2 | 113.1° | 109.5° |
| C13 | C12 | C11 | 121.0° | 120.3° |
| C13 | C12 | H10 | 119.5° | 119.8° |
| F3 | C15 | F2 | 102.2° | 109.4° |
| C12 | C11 | H2 | 119.7° | 119.9° |
| C11 | C12 | H10 | 119.5° | 119.9° |
| H11 | CA | H12 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | CG | CD2 | CD1 | 179.5° | 179.4° |
| CL1 | CG | CD2 | CE2 | 179.2° | 179.7° |
| CL1 | CG | CD1 | CE1 | 179.6° | 180.0° |
| CL1 | CG | CD1 | H6 | 0.5° | 0.0° |
| CL1 | CG | CD2 | H8 | 0.8° | 0.6° |
| CG | CD2 | CE2 | H8 | 180.0° | 179.8° |
| CG | CD2 | CE2 | CL2 | 179.6° | 180.0° |
| CG | CD2 | CE2 | C4 | 1.3° | 0.1° |
| CD2 | CG | CD1 | CE1 | 0.0° | 0.5° |
| CD2 | CG | CD1 | H6 | 180.0° | 179.5° |
| CD2 | CE2 | CL2 | C4 | 179.2° | 179.9° |
| CE2 | CD2 | CG | CD1 | 0.4° | 0.2° |
| CD2 | CE2 | C4 | CE1 | 1.7° | 0.0° |
| CD2 | CE2 | C4 | C | 178.4° | 179.7° |
| CL2 | CE2 | C4 | CE1 | 179.2° | 180.0° |
| CL2 | CE2 | C4 | C | 2.5° | 0.2° |
| CL2 | CE2 | CD2 | H8 | 0.4° | 0.2° |
| CG | CD1 | CE1 | H6 | 180.0° | 180.0° |
| CG | CD1 | CE1 | C4 | 0.5° | 0.6° |
| CG | CD1 | CE1 | H7 | 179.6° | 179.4° |
| CD1 | CG | CD2 | H8 | 179.6° | 180.0° |
| CE2 | C4 | CE1 | CD1 | 1.3° | 0.3° |
| CE2 | C4 | CE1 | C | 176.5° | 179.7° |
| CE2 | C4 | C | CA | 84.2° | 84.7° |
| CE2 | C4 | C | O | 154.5° | 155.3° |
| CE2 | C4 | CE1 | H7 | 178.8° | 179.7° |
| C4 | CE2 | CD2 | H8 | 178.7° | 179.7° |
| CE2 | C4 | C | H9 | 32.9° | 35.2° |
| CD1 | CE1 | C4 | H7 | 180.0° | 180.0° |
| CD1 | CE1 | C4 | C | 177.8° | 180.0° |
| CE1 | C4 | C | CA | 92.3° | 95.0° |
| CE1 | C4 | C | O | 29.0° | 25.0° |
| C4 | CE1 | CD1 | H6 | 179.5° | 179.4° |
| CE1 | C4 | C | H9 | 150.7° | 145.0° |
| C4 | C | CA | O | 114.2° | 120.0° |
| C4 | C | CA | H9 | 117.2° | 120.0° |
| C4 | C | O | H9 | 119.5° | 120.0° |
| C4 | C | CA | N | 177.6° | 175.0° |
| C4 | C | O | C8 | 122.4° | 150.0° |
| C | C4 | CE1 | H7 | 2.2° | 0.0° |
| C4 | C | CA | H11 | 62.1° | 55.0° |
| C4 | C | CA | H12 | 57.3° | 65.0° |
| CA | C | O | H9 | 126.8° | 120.0° |
| C | CA | N | H11 | 120.3° | 120.0° |
| C | CA | N | H12 | 120.3° | 120.0° |
| CA | C | O | C8 | 123.9° | 90.0° |
| C | CA | N | C17 | 69.9° | 89.9° |
| C | CA | N | C19 | 108.3° | 90.0° |
| C | CA | H11 | H12 | 119.0° | 120.0° |
| C | O | C8 | OH | 11.8° | 0.0° |
| O | C | CA | N | 63.4° | 65.0° |
| C | O | C8 | C9 | 175.9° | 180.0° |
| O | C | CA | H11 | 176.3° | 175.0° |
| O | C | CA | H12 | 56.9° | 55.0° |
| OH | C8 | O | C9 | 172.2° | 179.9° |
| OH | C8 | C9 | C14 | 12.7° | 0.1° |
| OH | C8 | C9 | C10 | 164.0° | 179.7° |
| CA | N | C17 | C19 | 178.5° | 179.9° |
| CA | N | C17 | C18 | 178.6° | 180.0° |
| CA | N | C19 | N2 | 179.2° | 179.9° |
| CA | N | C17 | H4 | 1.4° | 0.4° |
| N | CA | C | H9 | 65.2° | 55.0° |
| N | CA | H11 | H12 | 119.0° | 120.0° |
| CA | N | C19 | H13 | 0.8° | 0.1° |
| O | C8 | C9 | C14 | 174.6° | 180.0° |
| O | C8 | C9 | C10 | 8.7° | 0.2° |
| C8 | O | C | H9 | 3.0° | 30.0° |
| C8 | C9 | C14 | C10 | 176.8° | 179.8° |
| C8 | C9 | C14 | C13 | 176.3° | 180.0° |
| C8 | C9 | C10 | C11 | 176.2° | 180.0° |
| C8 | C9 | C10 | H1 | 3.8° | 0.0° |
| C8 | C9 | C14 | H3 | 3.7° | 0.1° |
| N | C17 | C18 | H4 | 180.0° | 179.6° |
| N | C17 | C18 | N2 | 0.4° | 0.1° |
| C17 | N | C19 | N2 | 0.7° | 0.0° |
| N | C17 | C18 | H5 | 179.6° | 179.9° |
| C17 | N | CA | H11 | 50.4° | 30.1° |
| C17 | N | CA | H12 | 169.7° | 150.0° |
| C17 | N | C19 | H13 | 179.3° | 180.0° |
| C18 | C17 | N | C19 | 0.1° | 0.1° |
| C17 | C18 | N2 | H5 | 180.0° | 179.8° |
| C17 | C18 | N2 | C19 | 0.7° | 0.1° |
| N | C19 | N2 | C18 | 0.9° | 0.1° |
| N | C19 | N2 | H13 | 180.0° | 180.0° |
| C19 | N | C17 | H4 | 179.8° | 179.7° |
| C19 | N | CA | H11 | 131.4° | 150.0° |
| C19 | N | CA | H12 | 12.1° | 30.1° |
| C9 | C14 | C13 | H3 | 180.0° | 179.9° |
| C14 | C9 | C10 | C11 | 0.6° | 0.2° |
| C9 | C14 | C13 | C15 | 179.8° | 180.0° |
| C9 | C14 | C13 | C12 | 0.5° | 0.1° |
| C14 | C9 | C10 | H1 | 179.5° | 179.8° |
| C10 | C9 | C14 | C13 | 0.5° | 0.2° |
| C9 | C10 | C11 | H1 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.4° | 0.1° |
| C9 | C10 | C11 | H2 | 179.6° | 180.0° |
| C10 | C9 | C14 | H3 | 179.5° | 179.7° |
| N2 | C18 | C17 | H4 | 179.6° | 179.7° |
| C18 | N2 | C19 | H13 | 179.1° | 179.9° |
| C14 | C13 | C15 | F1 | 9.6° | 30.0° |
| C14 | C13 | C15 | C12 | 179.7° | 180.0° |
| C14 | C13 | C15 | F3 | 112.8° | 150.0° |
| C14 | C13 | C15 | F2 | 129.4° | 90.0° |
| C14 | C13 | C12 | C11 | 1.5° | 0.3° |
| C14 | C13 | C12 | H10 | 178.5° | 180.0° |
| C10 | C11 | C12 | C13 | 1.4° | 0.3° |
| C10 | C11 | C12 | H2 | 180.0° | 179.9° |
| C10 | C11 | C12 | H10 | 178.5° | 180.0° |
| C19 | N2 | C18 | H5 | 179.3° | 180.0° |
| F1 | C15 | C13 | F3 | 122.4° | 120.0° |
| F1 | C15 | C13 | F2 | 119.9° | 120.0° |
| F1 | C15 | C13 | C12 | 170.7° | 150.0° |
| F1 | C15 | F3 | F2 | 107.5° | 120.0° |
| C13 | C15 | F3 | F2 | 123.6° | 120.0° |
| C15 | C13 | C12 | C11 | 178.8° | 179.7° |
| C15 | C13 | C14 | H3 | 0.2° | 0.0° |
| C15 | C13 | C12 | H10 | 1.2° | 0.0° |
| C12 | C13 | C15 | F3 | 66.9° | 30.0° |
| C12 | C13 | C15 | F2 | 50.9° | 90.0° |
| C13 | C12 | C11 | H10 | 180.0° | 179.7° |
| C13 | C12 | C11 | H2 | 178.6° | 179.7° |
| C12 | C13 | C14 | H3 | 179.4° | 180.0° |
| C12 | C11 | C10 | H1 | 179.6° | 179.9° |
| H1 | C10 | C11 | H2 | 0.4° | 0.0° |
| H2 | C11 | C12 | H10 | 1.4° | 0.0° |
| H4 | C17 | C18 | H5 | 0.4° | 0.5° |
| H6 | CD1 | CE1 | H7 | 0.4° | 0.5° |
| H9 | C | CA | H11 | 55.1° | 65.0° |
| H9 | C | CA | H12 | 174.5° | 175.1° |
