5TV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CD1 | CG | doub | 1.38Å | 1.37Å | Aromatic |
| CD1 | CE1 | sing | 1.38Å | 1.39Å | Aromatic |
| F1 | CG | sing | 1.35Å | 1.34Å | |
| CG | CD2 | sing | 1.39Å | 1.36Å | Aromatic |
| CE1 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| CD2 | CE2 | doub | 1.38Å | 1.36Å | Aromatic |
| C4 | CE2 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C | sing | 1.51Å | 1.52Å | |
| OH | C8 | doub | 1.21Å | 1.21Å | |
| C | CA | sing | 1.53Å | 1.52Å | |
| C | O | sing | 1.45Å | 1.29Å | |
| CA | N | sing | 1.46Å | 1.49Å | |
| C8 | O | sing | 1.35Å | 1.35Å | |
| C8 | C9 | sing | 1.48Å | 1.48Å | |
| C18 | N | sing | 1.37Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.35Å | 1.39Å | Aromatic |
| N | C16 | sing | 1.35Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.40Å | 1.38Å | Aromatic |
| C17 | N2 | sing | 1.34Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C13 | CL2 | sing | 1.74Å | 1.72Å | |
| C13 | C12 | doub | 1.38Å | 1.35Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | CL1 | sing | 1.74Å | 1.73Å | |
| CD1 | H1 | sing | 1.08Å | 1.08Å | |
| CE1 | H2 | sing | 1.08Å | 1.08Å | |
| CE2 | H3 | sing | 1.08Å | 1.08Å | |
| CD2 | H4 | sing | 1.08Å | 1.08Å | |
| C | H5 | sing | 1.09Å | 1.10Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C14 | H8 | sing | 1.08Å | 1.08Å | |
| CA | H9 | sing | 1.09Å | 1.10Å | |
| CA | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CG | CD1 | CE1 | 117.0° | 120.0° |
| CD1 | CG | F1 | 125.4° | 120.0° |
| CD1 | CG | CD2 | 123.1° | 119.9° |
| CG | CD1 | H1 | 121.5° | 120.0° |
| CD1 | CE1 | C4 | 121.2° | 120.1° |
| CE1 | CD1 | H1 | 121.5° | 120.0° |
| CD1 | CE1 | H2 | 119.4° | 120.0° |
| F1 | CG | CD2 | 111.4° | 120.0° |
| CG | CD2 | CE2 | 118.7° | 120.0° |
| CG | CD2 | H4 | 120.7° | 120.0° |
| CE1 | C4 | CE2 | 118.2° | 120.0° |
| CE1 | C4 | C | 126.7° | 120.0° |
| C4 | CE1 | H2 | 119.4° | 119.9° |
| CD2 | CE2 | C4 | 121.6° | 120.1° |
| CD2 | CE2 | H3 | 119.2° | 119.9° |
| CE2 | CD2 | H4 | 120.7° | 120.0° |
| CE2 | C4 | C | 115.0° | 120.0° |
| C4 | CE2 | H3 | 119.2° | 120.0° |
| C4 | C | CA | 103.4° | 109.5° |
| C4 | C | O | 109.8° | 109.5° |
| C4 | C | H5 | 107.6° | 109.5° |
| OH | C8 | O | 122.4° | 120.0° |
| OH | C8 | C9 | 123.7° | 120.0° |
| CA | C | O | 117.2° | 109.5° |
| C | CA | N | 109.1° | 109.5° |
| CA | C | H5 | 107.5° | 109.4° |
| C | CA | H9 | 109.6° | 109.5° |
| C | CA | H10 | 109.6° | 109.5° |
| C | O | C8 | 117.6° | 117.0° |
| O | C | H5 | 110.8° | 109.5° |
| CA | N | C18 | 124.8° | 126.4° |
| CA | N | C16 | 128.8° | 126.4° |
| N | CA | H9 | 109.6° | 109.5° |
| N | CA | H10 | 109.6° | 109.5° |
| O | C8 | C9 | 113.8° | 120.0° |
| C8 | C9 | C14 | 120.8° | 120.2° |
| C8 | C9 | C10 | 121.8° | 120.1° |
| N | C18 | C17 | 105.7° | 106.8° |
| C18 | N | C16 | 106.4° | 107.2° |
| N | C18 | H13 | 127.1° | 126.6° |
| C18 | C17 | N2 | 111.6° | 108.0° |
| C18 | C17 | H12 | 124.2° | 126.0° |
| C17 | C18 | H13 | 127.2° | 126.6° |
| N | C16 | N2 | 113.0° | 108.7° |
| N | C16 | H11 | 123.5° | 125.7° |
| C14 | C9 | C10 | 117.5° | 119.7° |
| C9 | C14 | C13 | 121.2° | 119.9° |
| C9 | C14 | H8 | 119.4° | 120.0° |
| C9 | C10 | C11 | 119.8° | 119.9° |
| C9 | C10 | H6 | 120.1° | 120.0° |
| C17 | N2 | C16 | 103.2° | 109.3° |
| N2 | C17 | H12 | 124.2° | 126.0° |
| C14 | C13 | CL2 | 120.4° | 120.0° |
| C14 | C13 | C12 | 122.3° | 120.1° |
| C13 | C14 | H8 | 119.4° | 120.1° |
| C10 | C11 | C12 | 122.5° | 120.1° |
| C10 | C11 | CL1 | 120.2° | 119.9° |
| C11 | C10 | H6 | 120.1° | 120.1° |
| N2 | C16 | H11 | 123.5° | 125.6° |
| CL2 | C13 | C12 | 117.2° | 119.9° |
| C13 | C12 | C11 | 116.6° | 120.3° |
| C13 | C12 | H7 | 121.7° | 119.9° |
| C12 | C11 | CL1 | 117.1° | 119.9° |
| C11 | C12 | H7 | 121.7° | 119.9° |
| H9 | CA | H10 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CG | CD1 | CE1 | H1 | 180.0° | 179.8° |
| CD1 | CG | F1 | CD2 | 176.8° | 179.5° |
| CG | CD1 | CE1 | C4 | 2.0° | 0.5° |
| CD1 | CG | CD2 | CE2 | 1.3° | 0.5° |
| CG | CD1 | CE1 | H2 | 178.0° | 179.5° |
| CD1 | CG | CD2 | H4 | 178.7° | 180.0° |
| CE1 | CD1 | CG | F1 | 179.4° | 179.7° |
| CE1 | CD1 | CG | CD2 | 3.0° | 0.8° |
| CD1 | CE1 | C4 | H2 | 180.0° | 180.0° |
| CD1 | CE1 | C4 | CE2 | 0.6° | 0.1° |
| CD1 | CE1 | C4 | C | 177.4° | 179.7° |
| F1 | CG | CD2 | CE2 | 178.2° | 180.0° |
| F1 | CG | CD1 | H1 | 0.6° | 0.0° |
| F1 | CG | CD2 | H4 | 1.8° | 0.5° |
| CG | CD2 | CE2 | H4 | 180.0° | 179.5° |
| CG | CD2 | CE2 | C4 | 1.6° | 0.0° |
| CD2 | CG | CD1 | H1 | 177.0° | 179.5° |
| CG | CD2 | CE2 | H3 | 178.4° | 180.0° |
| CE1 | C4 | CE2 | CD2 | 2.5° | 0.3° |
| CE1 | C4 | CE2 | C | 177.1° | 179.6° |
| CE1 | C4 | C | CA | 90.1° | 79.7° |
| CE1 | C4 | C | O | 144.1° | 40.3° |
| C4 | CE1 | CD1 | H1 | 178.1° | 179.8° |
| CE1 | C4 | CE2 | H3 | 177.5° | 179.7° |
| CE1 | C4 | C | H5 | 23.5° | 160.3° |
| CD2 | CE2 | C4 | H3 | 180.0° | 179.9° |
| CD2 | CE2 | C4 | C | 179.6° | 180.0° |
| CE2 | C4 | C | CA | 86.7° | 99.9° |
| CE2 | C4 | C | O | 39.1° | 140.0° |
| CE2 | C4 | CE1 | H2 | 179.4° | 180.0° |
| C4 | CE2 | CD2 | H4 | 178.4° | 179.5° |
| CE2 | C4 | C | H5 | 159.7° | 20.0° |
| C4 | C | CA | O | 120.9° | 120.0° |
| C4 | C | CA | H5 | 113.6° | 120.0° |
| C4 | C | O | H5 | 118.6° | 120.0° |
| C4 | C | CA | N | 172.9° | 175.0° |
| C4 | C | O | C8 | 115.5° | 150.0° |
| C | C4 | CE1 | H2 | 2.7° | 0.3° |
| C | C4 | CE2 | H3 | 0.4° | 0.1° |
| C4 | C | CA | H9 | 53.0° | 55.0° |
| C4 | C | CA | H10 | 67.1° | 65.0° |
| OH | C8 | O | C | 4.7° | 0.0° |
| OH | C8 | O | C9 | 177.0° | 180.0° |
| OH | C8 | C9 | C14 | 12.6° | 0.1° |
| OH | C8 | C9 | C10 | 166.5° | 179.7° |
| CA | C | O | H5 | 123.8° | 120.0° |
| C | CA | N | H9 | 119.9° | 120.0° |
| C | CA | N | H10 | 119.9° | 120.0° |
| CA | C | O | C8 | 127.0° | 90.0° |
| C | CA | N | C18 | 76.0° | 90.3° |
| C | CA | N | C16 | 102.4° | 90.0° |
| C | CA | H9 | H10 | 120.2° | 120.0° |
| O | C | CA | N | 66.1° | 65.0° |
| C | O | C8 | C9 | 178.3° | 180.0° |
| O | C | CA | H9 | 173.9° | 175.0° |
| O | C | CA | H10 | 53.8° | 55.0° |
| CA | N | C18 | C16 | 178.7° | 179.7° |
| CA | N | C18 | C17 | 180.0° | 179.8° |
| CA | N | C16 | N2 | 179.8° | 180.0° |
| N | CA | C | H5 | 59.3° | 55.0° |
| N | CA | H9 | H10 | 120.2° | 120.0° |
| CA | N | C16 | H11 | 0.2° | 0.1° |
| CA | N | C18 | H13 | 0.0° | 0.0° |
| O | C8 | C9 | C14 | 170.4° | 180.0° |
| O | C8 | C9 | C10 | 10.4° | 0.2° |
| C8 | O | C | H5 | 3.2° | 30.0° |
| C8 | C9 | C14 | C10 | 179.2° | 179.8° |
| C8 | C9 | C14 | C13 | 179.5° | 179.7° |
| C8 | C9 | C10 | C11 | 176.8° | 180.0° |
| C8 | C9 | C10 | H6 | 3.2° | 0.0° |
| C8 | C9 | C14 | H8 | 0.5° | 0.1° |
| N | C18 | C17 | H13 | 180.0° | 179.8° |
| N | C18 | C17 | N2 | 0.8° | 0.4° |
| C18 | N | C16 | N2 | 1.6° | 0.3° |
| C18 | N | CA | H9 | 44.0° | 149.7° |
| C18 | N | CA | H10 | 164.1° | 29.7° |
| C18 | N | C16 | H11 | 178.4° | 179.8° |
| N | C18 | C17 | H12 | 179.3° | 179.8° |
| C17 | C18 | N | C16 | 1.3° | 0.4° |
| C18 | C17 | N2 | H12 | 180.0° | 179.8° |
| C18 | C17 | N2 | C16 | 0.2° | 0.3° |
| N | C16 | N2 | C17 | 1.0° | 0.0° |
| N | C16 | N2 | H11 | 180.0° | 180.0° |
| C16 | N | CA | H9 | 137.7° | 30.0° |
| C16 | N | CA | H10 | 17.5° | 149.9° |
| C16 | N | C18 | H13 | 178.7° | 179.7° |
| C9 | C14 | C13 | H8 | 180.0° | 179.7° |
| C14 | C9 | C10 | C11 | 2.3° | 0.2° |
| C9 | C14 | C13 | CL2 | 178.7° | 179.7° |
| C9 | C14 | C13 | C12 | 2.5° | 0.6° |
| C14 | C9 | C10 | H6 | 177.7° | 179.8° |
| C10 | C9 | C14 | C13 | 0.4° | 0.5° |
| C9 | C10 | C11 | H6 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 3.2° | 0.0° |
| C9 | C10 | C11 | CL1 | 178.7° | 180.0° |
| C10 | C9 | C14 | H8 | 179.6° | 179.7° |
| C17 | N2 | C16 | H11 | 179.0° | 180.0° |
| N2 | C17 | C18 | H13 | 179.2° | 179.7° |
| C14 | C13 | CL2 | C12 | 176.4° | 179.6° |
| C14 | C13 | C12 | C11 | 1.6° | 0.4° |
| C14 | C13 | C12 | H7 | 178.3° | 179.7° |
| C10 | C11 | C12 | C13 | 1.2° | 0.1° |
| C10 | C11 | C12 | CL1 | 175.7° | 180.0° |
| C10 | C11 | C12 | H7 | 178.8° | 180.0° |
| C16 | N2 | C17 | H12 | 179.8° | 179.9° |
| CL2 | C13 | C12 | C11 | 177.9° | 180.0° |
| CL2 | C13 | C12 | H7 | 2.0° | 0.1° |
| CL2 | C13 | C14 | H8 | 1.4° | 0.0° |
| C13 | C12 | C11 | H7 | 180.0° | 179.9° |
| C13 | C12 | C11 | CL1 | 176.8° | 180.0° |
| C12 | C13 | C14 | H8 | 177.5° | 179.7° |
| C12 | C11 | C10 | H6 | 176.8° | 180.0° |
| CL1 | C11 | C10 | H6 | 1.3° | 0.0° |
| CL1 | C11 | C12 | H7 | 3.2° | 0.1° |
| H1 | CD1 | CE1 | H2 | 2.0° | 0.3° |
| H3 | CE2 | CD2 | H4 | 1.6° | 0.5° |
| H5 | C | CA | H9 | 60.6° | 65.0° |
| H5 | C | CA | H10 | 179.3° | 175.0° |
| H12 | C17 | C18 | H13 | 0.7° | 0.0° |
