2JF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| O18 | C8 | doub | 1.21Å | 1.22Å | |
| C8 | OG | sing | 1.34Å | 1.45Å | |
| OG | CB | sing | 1.45Å | 1.43Å | |
| CB | CA | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| O | C | doub | 1.21Å | 1.23Å | |
| CA | C | sing | 1.51Å | 1.51Å | |
| CA | N | sing | 1.47Å | 1.49Å | |
| N12 | C13 | sing | 1.35Å | 1.33Å | |
| O19 | C13 | doub | 1.21Å | 1.22Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C14 | O20 | sing | 1.43Å | 1.43Å | |
| C14 | C15 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C17 | C16 | sing | 1.53Å | 1.52Å | |
| C16 | C21 | sing | 1.53Å | 1.53Å | |
| N | H1 | sing | 1.01Å | 1.00Å | |
| N | H2 | sing | 1.01Å | 1.00Å | |
| CA | H4 | sing | 1.09Å | 1.10Å | |
| CB | H5 | sing | 1.09Å | 1.10Å | |
| CB | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| N12 | H13 | sing | 0.97Å | 1.00Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| O20 | H15 | sing | 0.97Å | 0.95Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å | |
| C21 | H19 | sing | 1.09Å | 1.10Å | |
| C21 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C10 | C11 | 113.5° | 109.4° |
| C10 | C9 | C8 | 112.2° | 109.5° |
| C10 | C9 | H7 | 108.8° | 109.5° |
| C10 | C9 | H8 | 108.8° | 109.5° |
| C9 | C10 | H9 | 108.5° | 109.4° |
| C9 | C10 | H10 | 108.5° | 109.5° |
| C10 | C11 | N12 | 115.3° | 109.5° |
| C11 | C10 | H9 | 108.5° | 109.5° |
| C11 | C10 | H10 | 108.4° | 109.5° |
| C10 | C11 | H11 | 108.0° | 109.5° |
| C10 | C11 | H12 | 108.0° | 109.5° |
| C9 | C8 | O18 | 122.1° | 120.0° |
| C9 | C8 | OG | 119.3° | 120.0° |
| C8 | C9 | H7 | 108.8° | 109.5° |
| C8 | C9 | H8 | 108.8° | 109.4° |
| O18 | C8 | OG | 118.6° | 120.0° |
| C8 | OG | CB | 120.1° | 117.0° |
| OG | CB | CA | 107.1° | 109.5° |
| OG | CB | H5 | 110.1° | 109.5° |
| OG | CB | H6 | 110.1° | 109.5° |
| CB | CA | C | 110.8° | 109.5° |
| CB | CA | N | 108.0° | 109.5° |
| CB | CA | H4 | 107.1° | 109.5° |
| CA | CB | H5 | 110.0° | 109.5° |
| CA | CB | H6 | 110.1° | 109.5° |
| C11 | N12 | C13 | 121.7° | 120.0° |
| N12 | C11 | H11 | 108.0° | 109.5° |
| N12 | C11 | H12 | 108.0° | 109.4° |
| C11 | N12 | H13 | 119.1° | 120.0° |
| O | C | CA | 120.3° | 120.0° |
| O | C | H25 | 119.8° | 120.0° |
| C | CA | N | 115.9° | 109.5° |
| C | CA | H4 | 107.3° | 109.4° |
| CA | C | H25 | 119.8° | 120.1° |
| CA | N | H1 | 109.5° | 111.0° |
| CA | N | H2 | 109.4° | 111.0° |
| N | CA | H4 | 107.4° | 109.5° |
| N12 | C13 | O19 | 122.9° | 120.0° |
| N12 | C13 | C14 | 116.8° | 120.0° |
| C13 | N12 | H13 | 119.2° | 120.0° |
| O19 | C13 | C14 | 120.4° | 120.0° |
| C13 | C14 | O20 | 109.9° | 109.5° |
| C13 | C14 | C15 | 108.0° | 109.5° |
| C13 | C14 | H14 | 109.5° | 109.4° |
| O20 | C14 | C15 | 109.7° | 109.5° |
| O20 | C14 | H14 | 110.6° | 109.5° |
| C14 | O20 | H15 | 109.5° | 114.0° |
| C14 | C15 | C16 | 112.4° | 109.5° |
| C15 | C14 | H14 | 109.2° | 109.5° |
| C14 | C15 | H16 | 108.7° | 109.4° |
| C14 | C15 | H17 | 108.7° | 109.5° |
| C15 | C16 | C17 | 111.2° | 109.4° |
| C15 | C16 | C21 | 110.8° | 109.5° |
| C16 | C15 | H16 | 108.7° | 109.5° |
| C16 | C15 | H17 | 108.7° | 109.5° |
| C15 | C16 | H18 | 108.0° | 109.5° |
| C17 | C16 | C21 | 110.7° | 109.4° |
| C17 | C16 | H18 | 108.0° | 109.5° |
| C16 | C17 | H22 | 109.5° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H24 | 109.4° | 109.5° |
| C21 | C16 | H18 | 108.0° | 109.5° |
| C16 | C21 | H19 | 109.5° | 109.5° |
| C16 | C21 | H20 | 109.5° | 109.4° |
| C16 | C21 | H21 | 109.4° | 109.5° |
| H1 | N | H2 | 109.5° | 111.0° |
| H5 | CB | H6 | 109.4° | 109.5° |
| H7 | C9 | H8 | 109.5° | 109.5° |
| H9 | C10 | H10 | 109.5° | 109.6° |
| H11 | C11 | H12 | 109.5° | 109.4° |
| H16 | C15 | H17 | 109.5° | 109.4° |
| H19 | C21 | H20 | 109.5° | 109.4° |
| H19 | C21 | H21 | 109.5° | 109.5° |
| H20 | C21 | H21 | 109.5° | 109.4° |
| H22 | C17 | H23 | 109.4° | 109.5° |
| H22 | C17 | H24 | 109.5° | 109.5° |
| H23 | C17 | H24 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C10 | C11 | H9 | 120.6° | 120.0° |
| C9 | C10 | C11 | H10 | 120.6° | 120.0° |
| C10 | C9 | C8 | H7 | 120.4° | 120.0° |
| C10 | C9 | C8 | H8 | 120.4° | 120.0° |
| C10 | C9 | C8 | O18 | 7.8° | 0.0° |
| C10 | C9 | C8 | OG | 171.8° | 180.0° |
| C9 | C10 | C11 | N12 | 66.1° | 180.0° |
| C10 | C9 | H7 | H8 | 118.7° | 120.1° |
| C9 | C10 | H9 | H10 | 118.2° | 120.0° |
| C9 | C10 | C11 | H11 | 54.7° | 60.0° |
| C9 | C10 | C11 | H12 | 173.0° | 60.0° |
| C11 | C10 | C9 | C8 | 66.4° | 180.0° |
| C10 | C11 | N12 | H11 | 120.8° | 120.1° |
| C10 | C11 | N12 | H12 | 120.9° | 120.0° |
| C10 | C11 | N12 | C13 | 93.1° | 180.0° |
| C11 | C10 | C9 | H7 | 54.0° | 60.0° |
| C11 | C10 | C9 | H8 | 173.2° | 60.0° |
| C11 | C10 | H9 | H10 | 118.2° | 120.0° |
| C10 | C11 | H11 | H12 | 117.4° | 120.0° |
| C10 | C11 | N12 | H13 | 86.9° | 0.0° |
| C9 | C8 | O18 | OG | 179.6° | 180.0° |
| C9 | C8 | OG | CB | 176.3° | 180.0° |
| C8 | C9 | H7 | H8 | 118.8° | 120.0° |
| C8 | C9 | C10 | H9 | 54.2° | 60.0° |
| C8 | C9 | C10 | H10 | 173.0° | 60.0° |
| O18 | C8 | OG | CB | 4.1° | 0.0° |
| O18 | C8 | C9 | H7 | 128.2° | 120.0° |
| O18 | C8 | C9 | H8 | 112.6° | 120.1° |
| C8 | OG | CB | CA | 108.2° | 180.0° |
| C8 | OG | CB | H5 | 132.2° | 60.0° |
| C8 | OG | CB | H6 | 11.4° | 60.0° |
| OG | C8 | C9 | H7 | 51.4° | 60.0° |
| OG | C8 | C9 | H8 | 67.8° | 60.0° |
| OG | CB | CA | H5 | 119.7° | 120.0° |
| OG | CB | CA | H6 | 119.7° | 120.0° |
| OG | CB | CA | C | 151.6° | 175.0° |
| OG | CB | CA | N | 80.5° | 65.0° |
| OG | CB | CA | H4 | 34.9° | 55.0° |
| OG | CB | H5 | H6 | 121.1° | 120.0° |
| CB | CA | C | O | 60.8° | 120.0° |
| CB | CA | C | N | 123.5° | 120.0° |
| CB | CA | C | H4 | 116.6° | 120.0° |
| CB | CA | N | H4 | 115.2° | 120.0° |
| CB | CA | N | H1 | 180.0° | 60.0° |
| CB | CA | N | H2 | 60.0° | 64.0° |
| CA | CB | H5 | H6 | 121.0° | 120.0° |
| CB | CA | C | H25 | 119.2° | 60.0° |
| C11 | N12 | C13 | H13 | 180.0° | 180.0° |
| C11 | N12 | C13 | O19 | 0.2° | 0.0° |
| C11 | N12 | C13 | C14 | 179.0° | 180.0° |
| N12 | C11 | C10 | H9 | 173.3° | 60.0° |
| N12 | C11 | C10 | H10 | 54.4° | 60.1° |
| N12 | C11 | H11 | H12 | 117.3° | 120.0° |
| O | C | CA | H25 | 180.0° | 179.9° |
| O | C | CA | N | 175.7° | 0.0° |
| O | C | CA | H4 | 55.8° | 120.1° |
| C | CA | N | H4 | 119.9° | 120.0° |
| C | CA | N | H1 | 55.1° | 60.0° |
| C | CA | N | H2 | 65.0° | 176.0° |
| C | CA | CB | H5 | 32.0° | 65.0° |
| C | CA | CB | H6 | 88.7° | 55.0° |
| CA | N | H1 | H2 | 120.0° | 124.0° |
| N | CA | CB | H5 | 159.8° | 55.0° |
| N | CA | CB | H6 | 39.2° | 175.0° |
| N | CA | C | H25 | 4.3° | 180.0° |
| N12 | C13 | O19 | C14 | 179.2° | 180.0° |
| N12 | C13 | C14 | O20 | 136.6° | 175.0° |
| N12 | C13 | C14 | C15 | 103.9° | 65.0° |
| C13 | N12 | C11 | H11 | 27.8° | 60.0° |
| C13 | N12 | C11 | H12 | 146.1° | 60.0° |
| N12 | C13 | C14 | H14 | 14.9° | 55.0° |
| O19 | C13 | C14 | O20 | 44.2° | 5.0° |
| O19 | C13 | C14 | C15 | 75.3° | 115.0° |
| O19 | C13 | N12 | H13 | 179.8° | 180.0° |
| O19 | C13 | C14 | H14 | 165.9° | 125.0° |
| C13 | C14 | O20 | C15 | 118.5° | 120.0° |
| C13 | C14 | O20 | H14 | 121.0° | 120.0° |
| C13 | C14 | C15 | H14 | 119.0° | 120.0° |
| C13 | C14 | C15 | C16 | 179.4° | 176.7° |
| C14 | C13 | N12 | H13 | 1.0° | 0.0° |
| C13 | C14 | O20 | H15 | 18.1° | 60.0° |
| C13 | C14 | C15 | H16 | 59.0° | 63.4° |
| C13 | C14 | C15 | H17 | 60.1° | 56.6° |
| O20 | C14 | C15 | H14 | 121.3° | 120.0° |
| O20 | C14 | C15 | C16 | 59.7° | 63.3° |
| O20 | C14 | C15 | H16 | 60.7° | 56.7° |
| O20 | C14 | C15 | H17 | 179.8° | 176.6° |
| C14 | C15 | C16 | H16 | 120.4° | 119.9° |
| C14 | C15 | C16 | H17 | 120.4° | 120.1° |
| C14 | C15 | C16 | C17 | 60.1° | 65.9° |
| C14 | C15 | C16 | C21 | 176.3° | 174.2° |
| C15 | C14 | O20 | H15 | 100.4° | 60.1° |
| C14 | C15 | H16 | H17 | 118.6° | 120.0° |
| C14 | C15 | C16 | H18 | 58.2° | 54.1° |
| C15 | C16 | C17 | C21 | 123.6° | 120.0° |
| C15 | C16 | C17 | H18 | 118.4° | 120.0° |
| C15 | C16 | C21 | H18 | 118.1° | 120.1° |
| C16 | C15 | C14 | H14 | 61.6° | 56.7° |
| C16 | C15 | H16 | H17 | 118.7° | 120.1° |
| C15 | C16 | C21 | H19 | 180.0° | 176.6° |
| C15 | C16 | C21 | H20 | 60.0° | 63.5° |
| C15 | C16 | C21 | H21 | 60.0° | 56.5° |
| C15 | C16 | C17 | H22 | 180.0° | 60.0° |
| C15 | C16 | C17 | H23 | 60.0° | 180.0° |
| C15 | C16 | C17 | H24 | 60.0° | 60.0° |
| C17 | C16 | C21 | H18 | 118.1° | 120.0° |
| C17 | C16 | C15 | H16 | 179.4° | 174.2° |
| C17 | C16 | C15 | H17 | 60.3° | 54.2° |
| C17 | C16 | C21 | H19 | 56.2° | 56.7° |
| C17 | C16 | C21 | H20 | 176.2° | 176.6° |
| C17 | C16 | C21 | H21 | 63.8° | 63.4° |
| C16 | C17 | H22 | H23 | 120.0° | 120.0° |
| C16 | C17 | H22 | H24 | 120.0° | 120.0° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| C21 | C16 | C15 | H16 | 55.9° | 54.2° |
| C21 | C16 | C15 | H17 | 63.2° | 65.8° |
| C16 | C21 | H19 | H20 | 120.0° | 120.0° |
| C16 | C21 | H19 | H21 | 120.0° | 120.1° |
| C16 | C21 | H20 | H21 | 120.0° | 120.0° |
| C21 | C16 | C17 | H22 | 56.4° | 180.0° |
| C21 | C16 | C17 | H23 | 63.5° | 60.0° |
| C21 | C16 | C17 | H24 | 176.4° | 59.9° |
| H1 | N | CA | H4 | 64.8° | 180.0° |
| H2 | N | CA | H4 | 175.1° | 56.0° |
| H4 | CA | CB | H5 | 84.8° | 175.0° |
| H4 | CA | CB | H6 | 154.6° | 65.0° |
| H4 | CA | C | H25 | 124.3° | 60.0° |
| H7 | C9 | C10 | H9 | 174.6° | 180.0° |
| H7 | C9 | C10 | H10 | 66.6° | 60.0° |
| H8 | C9 | C10 | H9 | 66.2° | 60.0° |
| H8 | C9 | C10 | H10 | 52.6° | 180.0° |
| H9 | C10 | C11 | H11 | 65.9° | 179.9° |
| H9 | C10 | C11 | H12 | 52.4° | 59.9° |
| H10 | C10 | C11 | H11 | 175.3° | 60.0° |
| H10 | C10 | C11 | H12 | 66.4° | 180.0° |
| H11 | C11 | N12 | H13 | 152.2° | 120.0° |
| H12 | C11 | N12 | H13 | 33.9° | 120.0° |
| H14 | C14 | O20 | H15 | 139.1° | 180.0° |
| H14 | C14 | C15 | H16 | 178.0° | 176.7° |
| H14 | C14 | C15 | H17 | 58.9° | 63.4° |
| H16 | C15 | C16 | H18 | 62.2° | 65.8° |
| H17 | C15 | C16 | H18 | 178.6° | 174.2° |
| H18 | C16 | C21 | H19 | 61.9° | 63.4° |
| H18 | C16 | C21 | H20 | 58.1° | 56.6° |
| H18 | C16 | C21 | H21 | 178.1° | 176.6° |
| H18 | C16 | C17 | H22 | 61.7° | 60.0° |
| H18 | C16 | C17 | H23 | 178.4° | 60.0° |
| H18 | C16 | C17 | H24 | 58.4° | 180.0° |
| H19 | C21 | H20 | H21 | 120.0° | 120.0° |
| H22 | C17 | H23 | H24 | 120.0° | 120.0° |
