5LF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.61Å | |
| C23 | C24 | sing | 1.53Å | 1.51Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | N26 | sing | 1.46Å | 1.46Å | |
| N26 | C27 | sing | 1.35Å | 1.37Å | Aromatic |
| N26 | N45 | sing | 1.29Å | 1.32Å | Aromatic |
| C27 | C28 | doub | 1.35Å | 1.44Å | Aromatic |
| C28 | N44 | sing | 1.34Å | 1.34Å | Aromatic |
| C28 | C29 | sing | 1.51Å | 1.57Å | |
| C29 | C30 | sing | 1.53Å | 1.52Å | |
| C30 | C42 | sing | 1.51Å | 1.51Å | |
| C30 | N31 | sing | 1.47Å | 1.47Å | |
| C42 | O43 | doub | 1.21Å | 1.20Å | |
| N44 | N45 | doub | 1.29Å | 1.34Å | Aromatic |
| N19 | H25 | sing | 1.01Å | 1.00Å | |
| C20 | H26 | sing | 1.09Å | 1.10Å | |
| C20 | H27 | sing | 1.09Å | 1.10Å | |
| C21 | H28 | sing | 1.09Å | 1.10Å | |
| C21 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H31 | sing | 1.09Å | 1.10Å | |
| C23 | H32 | sing | 1.09Å | 1.10Å | |
| C23 | H33 | sing | 1.09Å | 1.10Å | |
| C24 | H34 | sing | 1.09Å | 1.10Å | |
| C24 | H35 | sing | 1.09Å | 1.10Å | |
| C25 | H36 | sing | 1.09Å | 1.10Å | |
| C25 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.08Å | 1.08Å | |
| C29 | H39 | sing | 1.09Å | 1.10Å | |
| C29 | H40 | sing | 1.09Å | 1.10Å | |
| C30 | H41 | sing | 1.09Å | 1.10Å | |
| N31 | H42 | sing | 1.01Å | 1.00Å | |
| C42 | OXT | sing | 1.34Å | 1.45Å | |
| OXT | HXT | sing | 0.97Å | 0.95Å | |
| N19 | H2 | sing | 1.01Å | 1.00Å | |
| N31 | H1 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N19 | C20 | C21 | 107.3° | 109.5° |
| C20 | N19 | H25 | 109.5° | 111.0° |
| N19 | C20 | H26 | 110.0° | 109.5° |
| N19 | C20 | H27 | 110.0° | 109.5° |
| C20 | N19 | H2 | 109.4° | 111.0° |
| C20 | C21 | C22 | 111.4° | 109.4° |
| C21 | C20 | H26 | 110.0° | 109.4° |
| C21 | C20 | H27 | 110.0° | 109.5° |
| C20 | C21 | H28 | 109.0° | 109.5° |
| C20 | C21 | H29 | 109.0° | 109.4° |
| C21 | C22 | C23 | 112.2° | 109.4° |
| C22 | C21 | H28 | 109.0° | 109.5° |
| C22 | C21 | H29 | 109.0° | 109.5° |
| C21 | C22 | H30 | 108.8° | 109.5° |
| C21 | C22 | H31 | 108.8° | 109.5° |
| C22 | C23 | C24 | 110.9° | 109.5° |
| C23 | C22 | H30 | 108.8° | 109.5° |
| C23 | C22 | H31 | 108.8° | 109.4° |
| C22 | C23 | H32 | 109.1° | 109.4° |
| C22 | C23 | H33 | 109.1° | 109.5° |
| C23 | C24 | C25 | 110.8° | 109.5° |
| C24 | C23 | H32 | 109.1° | 109.5° |
| C24 | C23 | H33 | 109.1° | 109.5° |
| C23 | C24 | H34 | 109.1° | 109.5° |
| C23 | C24 | H35 | 109.1° | 109.5° |
| C24 | C25 | N26 | 109.2° | 109.5° |
| C25 | C24 | H34 | 109.2° | 109.5° |
| C25 | C24 | H35 | 109.1° | 109.5° |
| C24 | C25 | H36 | 109.5° | 109.5° |
| C24 | C25 | H37 | 109.6° | 109.4° |
| C25 | N26 | C27 | 129.6° | 125.9° |
| C25 | N26 | N45 | 126.3° | 125.9° |
| N26 | C25 | H36 | 109.5° | 109.5° |
| N26 | C25 | H37 | 109.5° | 109.5° |
| C27 | N26 | N45 | 104.1° | 108.2° |
| N26 | C27 | C28 | 110.8° | 106.2° |
| N26 | C27 | H38 | 124.6° | 126.9° |
| N26 | N45 | N44 | 112.1° | 110.2° |
| C27 | C28 | N44 | 102.0° | 106.5° |
| C27 | C28 | C29 | 130.8° | 126.7° |
| C28 | C27 | H38 | 124.6° | 126.9° |
| N44 | C28 | C29 | 127.2° | 126.8° |
| C28 | N44 | N45 | 111.0° | 108.9° |
| C28 | C29 | C30 | 109.9° | 109.4° |
| C28 | C29 | H39 | 109.4° | 109.5° |
| C28 | C29 | H40 | 109.3° | 109.5° |
| C29 | C30 | C42 | 109.8° | 109.5° |
| C29 | C30 | N31 | 112.5° | 109.4° |
| C30 | C29 | H39 | 109.4° | 109.4° |
| C30 | C29 | H40 | 109.4° | 109.5° |
| C29 | C30 | H41 | 108.6° | 109.5° |
| C42 | C30 | N31 | 107.8° | 109.5° |
| C30 | C42 | O43 | 126.3° | 120.0° |
| C42 | C30 | H41 | 108.8° | 109.5° |
| C30 | C42 | OXT | 112.4° | 120.0° |
| N31 | C30 | H41 | 109.2° | 109.5° |
| C30 | N31 | H42 | 109.5° | 111.0° |
| C30 | N31 | H1 | 109.5° | 111.0° |
| O43 | C42 | OXT | 121.3° | 120.0° |
| H25 | N19 | H2 | 109.5° | 111.0° |
| H26 | C20 | H27 | 109.5° | 109.5° |
| H28 | C21 | H29 | 109.4° | 109.5° |
| H30 | C22 | H31 | 109.5° | 109.5° |
| H32 | C23 | H33 | 109.4° | 109.5° |
| H34 | C24 | H35 | 109.5° | 109.5° |
| H36 | C25 | H37 | 109.5° | 109.5° |
| H39 | C29 | H40 | 109.5° | 109.5° |
| H42 | N31 | H1 | 109.5° | 111.0° |
| C42 | OXT | HXT | 109.5° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N19 | C20 | C21 | H26 | 119.7° | 120.0° |
| N19 | C20 | C21 | H27 | 119.7° | 120.0° |
| N19 | C20 | C21 | C22 | 64.9° | 179.9° |
| C20 | N19 | H25 | H2 | 120.0° | 123.9° |
| N19 | C20 | H26 | H27 | 121.0° | 120.0° |
| N19 | C20 | C21 | H28 | 55.5° | 60.0° |
| N19 | C20 | C21 | H29 | 174.8° | 60.0° |
| C20 | C21 | C22 | H28 | 120.3° | 120.0° |
| C20 | C21 | C22 | H29 | 120.3° | 119.9° |
| C20 | C21 | C22 | C23 | 154.8° | NaN° |
| C21 | C20 | N19 | H25 | 180.0° | 56.1° |
| C21 | C20 | H26 | H27 | 121.0° | 120.0° |
| C20 | C21 | H28 | H29 | 119.1° | 120.0° |
| C20 | C21 | C22 | H30 | 84.8° | 60.0° |
| C20 | C21 | C22 | H31 | 34.4° | 60.1° |
| C21 | C20 | N19 | H2 | 60.0° | 180.0° |
| C21 | C22 | C23 | H30 | 120.4° | 120.0° |
| C21 | C22 | C23 | H31 | 120.4° | 119.9° |
| C21 | C22 | C23 | C24 | 83.4° | 180.0° |
| C22 | C21 | C20 | H26 | 175.5° | 60.0° |
| C22 | C21 | C20 | H27 | 54.8° | 60.0° |
| C22 | C21 | H28 | H29 | 119.1° | 120.0° |
| C21 | C22 | H30 | H31 | 118.8° | 120.0° |
| C21 | C22 | C23 | H32 | 36.8° | 60.0° |
| C21 | C22 | C23 | H33 | 156.3° | 60.0° |
| C22 | C23 | C24 | H32 | 120.2° | 120.0° |
| C22 | C23 | C24 | H33 | 120.2° | 120.0° |
| C22 | C23 | C24 | C25 | 66.9° | 180.0° |
| C23 | C22 | C21 | H28 | 34.5° | 60.0° |
| C23 | C22 | C21 | H29 | 84.9° | 60.1° |
| C23 | C22 | H30 | H31 | 118.7° | 120.0° |
| C22 | C23 | H32 | H33 | 119.3° | 120.0° |
| C22 | C23 | C24 | H34 | 53.3° | 60.0° |
| C22 | C23 | C24 | H35 | 172.9° | 60.0° |
| C23 | C24 | C25 | H34 | 120.2° | 120.0° |
| C23 | C24 | C25 | H35 | 120.2° | 120.0° |
| C23 | C24 | C25 | N26 | 165.6° | 180.0° |
| C24 | C23 | C22 | H30 | 156.2° | 60.0° |
| C24 | C23 | C22 | H31 | 37.0° | 60.0° |
| C24 | C23 | H32 | H33 | 119.3° | 120.0° |
| C23 | C24 | H34 | H35 | 119.4° | 120.0° |
| C23 | C24 | C25 | H36 | 45.7° | 60.0° |
| C23 | C24 | C25 | H37 | 74.4° | 60.0° |
| C24 | C25 | N26 | H36 | 119.9° | 120.0° |
| C24 | C25 | N26 | H37 | 120.0° | 120.0° |
| C24 | C25 | N26 | C27 | 121.0° | 125.0° |
| C24 | C25 | N26 | N45 | 58.8° | 55.3° |
| C25 | C24 | C23 | H32 | 172.9° | 60.0° |
| C25 | C24 | C23 | H33 | 53.3° | 60.0° |
| C25 | C24 | H34 | H35 | 119.4° | 120.0° |
| C24 | C25 | H36 | H37 | 120.2° | 120.0° |
| C25 | N26 | C27 | N45 | 179.8° | 179.7° |
| C25 | N26 | C27 | C28 | 180.0° | 180.0° |
| C25 | N26 | N45 | N44 | 180.0° | 179.8° |
| N26 | C25 | C24 | H34 | 74.2° | 60.0° |
| N26 | C25 | C24 | H35 | 45.4° | 60.0° |
| N26 | C25 | H36 | H37 | 120.1° | 120.0° |
| C25 | N26 | C27 | H38 | 0.0° | 0.0° |
| N26 | C27 | C28 | H38 | 180.0° | 180.0° |
| N26 | C27 | C28 | N44 | 0.1° | 0.0° |
| N26 | C27 | C28 | C29 | 180.0° | 180.0° |
| C27 | N26 | N45 | N44 | 0.2° | 0.4° |
| C27 | N26 | C25 | H36 | 119.1° | 5.0° |
| C27 | N26 | C25 | H37 | 1.0° | 115.0° |
| N45 | N26 | C27 | C28 | 0.2° | 0.2° |
| N26 | N45 | N44 | C28 | 0.1° | 0.4° |
| N45 | N26 | C25 | H36 | 61.1° | 175.3° |
| N45 | N26 | C25 | H37 | 178.8° | 64.7° |
| N45 | N26 | C27 | H38 | 179.8° | 179.8° |
| C27 | C28 | N44 | C29 | 179.9° | 180.0° |
| C27 | C28 | C29 | C30 | 90.8° | 125.1° |
| C27 | C28 | N44 | N45 | 0.0° | 0.3° |
| C27 | C28 | C29 | H39 | 149.1° | 115.0° |
| C27 | C28 | C29 | H40 | 29.3° | 5.1° |
| N44 | C28 | C29 | C30 | 89.1° | 55.0° |
| N44 | C28 | C27 | H38 | 179.9° | 180.0° |
| N44 | C28 | C29 | H39 | 31.0° | 65.0° |
| N44 | C28 | C29 | H40 | 150.9° | 175.0° |
| C28 | C29 | C30 | H39 | 120.1° | 120.0° |
| C28 | C29 | C30 | H40 | 120.0° | 120.0° |
| C28 | C29 | C30 | C42 | 80.0° | 175.0° |
| C28 | C29 | C30 | N31 | 40.0° | 65.0° |
| C29 | C28 | N44 | N45 | 179.9° | 179.8° |
| C29 | C28 | C27 | H38 | 0.0° | 0.0° |
| C28 | C29 | H39 | H40 | 119.8° | 120.1° |
| C28 | C29 | C30 | H41 | 161.1° | 55.0° |
| C29 | C30 | C42 | N31 | 122.9° | 120.0° |
| C29 | C30 | C42 | H41 | 118.8° | 120.0° |
| C29 | C30 | N31 | H41 | 120.7° | 120.0° |
| C29 | C30 | C42 | O43 | 102.1° | 99.9° |
| C30 | C29 | H39 | H40 | 119.8° | 120.0° |
| C29 | C30 | N31 | H42 | 180.0° | 176.1° |
| C29 | C30 | C42 | OXT | 77.7° | 80.0° |
| C29 | C30 | N31 | H1 | 60.0° | 60.0° |
| C42 | C30 | N31 | H41 | 118.0° | 120.0° |
| C30 | C42 | O43 | OXT | 179.8° | 179.9° |
| C42 | C30 | C29 | H39 | 159.9° | 55.0° |
| C42 | C30 | C29 | H40 | 40.0° | 65.0° |
| C42 | C30 | N31 | H42 | 58.8° | 64.0° |
| C30 | C42 | OXT | HXT | 179.9° | 180.0° |
| C42 | C30 | N31 | H1 | 61.2° | 60.0° |
| N31 | C30 | C42 | O43 | 20.8° | 20.0° |
| N31 | C30 | C29 | H39 | 80.1° | 175.0° |
| N31 | C30 | C29 | H40 | 160.1° | 55.0° |
| C30 | N31 | H42 | H1 | 120.0° | 124.0° |
| N31 | C30 | C42 | OXT | 159.4° | 160.1° |
| O43 | C42 | C30 | H41 | 139.1° | 140.0° |
| O43 | C42 | OXT | HXT | 0.0° | 0.1° |
| H25 | N19 | C20 | H26 | 60.3° | 176.0° |
| H25 | N19 | C20 | H27 | 60.3° | 64.0° |
| H26 | C20 | C21 | H28 | 64.2° | 180.0° |
| H26 | C20 | C21 | H29 | 55.2° | 60.0° |
| H26 | C20 | N19 | H2 | 59.7° | 60.0° |
| H27 | C20 | C21 | H28 | 175.1° | 60.0° |
| H27 | C20 | C21 | H29 | 65.5° | 180.0° |
| H27 | C20 | N19 | H2 | 179.7° | 60.0° |
| H28 | C21 | C22 | H30 | 154.9° | 180.0° |
| H28 | C21 | C22 | H31 | 85.9° | 59.9° |
| H29 | C21 | C22 | H30 | 35.5° | 59.9° |
| H29 | C21 | C22 | H31 | 154.7° | 180.0° |
| H30 | C22 | C23 | H32 | 83.6° | 180.0° |
| H30 | C22 | C23 | H33 | 35.9° | 60.0° |
| H31 | C22 | C23 | H32 | 157.2° | 60.0° |
| H31 | C22 | C23 | H33 | 83.3° | 180.0° |
| H32 | C23 | C24 | H34 | 66.9° | 180.0° |
| H32 | C23 | C24 | H35 | 52.7° | 60.0° |
| H33 | C23 | C24 | H34 | 173.5° | 60.0° |
| H33 | C23 | C24 | H35 | 66.9° | NaN° |
| H34 | C24 | C25 | H36 | 165.9° | 180.0° |
| H34 | C24 | C25 | H37 | 45.8° | 60.0° |
| H35 | C24 | C25 | H36 | 74.5° | 60.0° |
| H35 | C24 | C25 | H37 | 165.4° | 180.0° |
| H39 | C29 | C30 | H41 | 41.0° | 65.0° |
| H40 | C29 | C30 | H41 | 78.9° | 175.0° |
| H41 | C30 | N31 | H42 | 59.2° | 56.0° |
| H41 | C30 | C42 | OXT | 41.0° | 40.0° |
| H41 | C30 | N31 | H1 | 179.2° | 180.0° |
