LK1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O28 | S11 | doub | 1.45Å | 1.42Å | |
| S11 | O27 | doub | 1.45Å | 1.41Å | |
| S11 | N | sing | 1.71Å | 1.60Å | |
| S11 | C12 | sing | 1.77Å | 1.58Å | |
| N | CA | sing | 1.46Å | 1.45Å | |
| N | H | sing | 1.03Å | 1.02Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| CA | CB | sing | 1.54Å | 1.53Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| C | OXT | sing | 1.36Å | 1.23Å | |
| C | O | doub | 1.22Å | 1.22Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.51Å | |
| CB | HBC1 | sing | 1.10Å | 1.12Å | |
| CB | HBC2 | sing | 1.10Å | 1.11Å | |
| CG | CD | sing | 1.51Å | 1.50Å | |
| CG | HGC1 | sing | 1.10Å | 1.11Å | |
| CG | HGC2 | sing | 1.10Å | 1.12Å | |
| CD | OE2 | sing | 1.36Å | 1.24Å | |
| CD | OE1 | doub | 1.23Å | 1.23Å | |
| OE2 | HE2 | sing | 0.98Å | 0.95Å | |
| C12 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | doub | 1.39Å | 1.38Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | C15 | sing | 1.40Å | 1.38Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | C21 | sing | 1.40Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.42Å | 1.39Å | Aromatic |
| C21 | C20 | doub | 1.39Å | 1.37Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | O22 | sing | 1.36Å | 1.36Å | |
| C19 | C18 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| O22 | C23 | sing | 1.43Å | 1.42Å | |
| C23 | C24 | sing | 1.52Å | 1.51Å | |
| C23 | H231 | sing | 1.09Å | 1.12Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.10Å | 1.12Å | |
| C24 | H242 | sing | 1.10Å | 1.11Å | |
| C25 | C26 | sing | 1.52Å | 1.51Å | |
| C25 | H251 | sing | 1.10Å | 1.11Å | |
| C25 | H252 | sing | 1.10Å | 1.11Å | |
| C26 | H261 | sing | 1.09Å | 1.11Å | |
| C26 | H262 | sing | 1.09Å | 1.11Å | |
| C26 | H263 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O28 | S11 | O27 | 111.2° | 120.3° |
| O28 | S11 | N | 112.4° | 109.0° |
| O28 | S11 | C12 | 112.5° | 108.0° |
| O27 | S11 | N | 107.2° | 109.4° |
| O27 | S11 | C12 | 110.1° | 106.9° |
| N | S11 | C12 | 103.2° | 101.6° |
| S11 | N | CA | 130.6° | 120.4° |
| S11 | N | H | 104.9° | 118.1° |
| S11 | C12 | C17 | 115.4° | 119.2° |
| S11 | C12 | C13 | 125.2° | 119.2° |
| CA | N | H | 104.9° | 116.5° |
| N | CA | C | 117.0° | 108.1° |
| N | CA | CB | 104.7° | 112.2° |
| N | CA | HA | 107.9° | 107.2° |
| C | CA | CB | 110.0° | 112.1° |
| C | CA | HA | 102.4° | 107.8° |
| CA | C | OXT | 113.3° | 111.9° |
| CA | C | O | 120.4° | 125.5° |
| CB | CA | HA | 115.2° | 109.3° |
| CA | CB | CG | 110.7° | 116.2° |
| CA | CB | HBC1 | 111.8° | 108.8° |
| CA | CB | HBC2 | 111.8° | 108.3° |
| OXT | C | O | 126.1° | 122.5° |
| C | OXT | HXT | 113.4° | 115.3° |
| CG | CB | HBC1 | 111.8° | 109.8° |
| CG | CB | HBC2 | 111.7° | 107.3° |
| CB | CG | CD | 109.5° | 114.0° |
| CB | CG | HGC1 | 112.2° | 111.3° |
| CB | CG | HGC2 | 112.2° | 109.8° |
| HBC1 | CB | HBC2 | 98.6° | 105.9° |
| CD | CG | HGC1 | 112.2° | 108.4° |
| CD | CG | HGC2 | 112.2° | 107.4° |
| CG | CD | OE2 | 117.9° | 112.8° |
| CG | CD | OE1 | 117.2° | 123.9° |
| HGC1 | CG | HGC2 | 98.2° | 105.6° |
| OE2 | CD | OE1 | 124.8° | 123.3° |
| CD | OE2 | HE2 | 117.9° | 115.1° |
| C17 | C12 | C13 | 119.4° | 121.5° |
| C12 | C17 | C16 | 122.2° | 119.3° |
| C12 | C17 | H17 | 118.9° | 121.4° |
| C12 | C13 | C14 | 119.0° | 119.9° |
| C12 | C13 | H13 | 120.2° | 120.2° |
| C16 | C17 | H17 | 118.9° | 119.3° |
| C17 | C16 | C15 | 118.9° | 120.6° |
| C17 | C16 | H16 | 120.4° | 118.8° |
| C15 | C16 | H16 | 120.7° | 120.5° |
| C16 | C15 | C21 | 117.8° | 121.4° |
| C16 | C15 | C14 | 120.8° | 119.3° |
| C21 | C15 | C14 | 121.4° | 119.3° |
| C15 | C21 | C20 | 120.3° | 120.7° |
| C15 | C21 | H21 | 119.9° | 120.1° |
| C15 | C14 | C18 | 118.2° | 119.3° |
| C15 | C14 | C13 | 119.8° | 119.3° |
| C20 | C21 | H21 | 119.8° | 119.2° |
| C21 | C20 | C19 | 120.1° | 120.1° |
| C21 | C20 | O22 | 118.7° | 120.0° |
| C19 | C20 | O22 | 121.2° | 119.9° |
| C20 | C19 | C18 | 119.5° | 120.0° |
| C20 | C19 | H19 | 120.4° | 120.4° |
| C20 | O22 | C23 | 116.3° | 117.1° |
| C18 | C19 | H19 | 120.2° | 119.6° |
| C19 | C18 | C14 | 120.5° | 120.7° |
| C19 | C18 | H18 | 119.5° | 118.8° |
| C14 | C18 | H18 | 120.0° | 120.5° |
| C18 | C14 | C13 | 122.0° | 121.4° |
| C14 | C13 | H13 | 120.8° | 119.9° |
| O22 | C23 | C24 | 112.1° | 108.8° |
| O22 | C23 | H231 | 111.2° | 108.6° |
| O22 | C23 | H232 | 111.3° | 108.5° |
| C24 | C23 | H231 | 111.2° | 110.9° |
| C24 | C23 | H232 | 111.2° | 110.9° |
| C23 | C24 | C25 | 108.7° | 111.6° |
| C23 | C24 | H241 | 112.5° | 109.3° |
| C23 | C24 | H242 | 112.5° | 109.3° |
| H231 | C23 | H232 | 99.1° | 109.0° |
| C25 | C24 | H241 | 112.5° | 110.3° |
| C25 | C24 | H242 | 112.5° | 110.2° |
| C24 | C25 | C26 | 112.8° | 111.4° |
| C24 | C25 | H251 | 110.9° | 109.9° |
| C24 | C25 | H252 | 111.0° | 109.9° |
| H241 | C24 | H242 | 98.0° | 105.9° |
| C26 | C25 | H251 | 111.0° | 109.1° |
| C26 | C25 | H252 | 111.0° | 109.1° |
| C25 | C26 | H261 | 111.0° | 111.0° |
| C25 | C26 | H262 | 111.0° | 111.0° |
| C25 | C26 | H263 | 112.9° | 110.2° |
| H251 | C25 | H252 | 99.4° | 107.3° |
| H261 | C26 | H262 | 99.4° | 108.3° |
| H261 | C26 | H263 | 110.9° | 108.1° |
| H262 | C26 | H263 | 111.0° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O28 | S11 | O27 | N | 123.2° | 127.3° |
| O28 | S11 | O27 | C12 | 125.3° | 123.4° |
| O28 | S11 | N | C12 | 121.4° | 113.8° |
| O28 | S11 | N | CA | 31.6° | 156.2° |
| O28 | S11 | N | H | 156.9° | 2.0° |
| O28 | S11 | C12 | C17 | 166.1° | 24.6° |
| O28 | S11 | C12 | C13 | 17.7° | 155.4° |
| O27 | S11 | N | C12 | 116.2° | 112.8° |
| O27 | S11 | N | CA | 90.8° | 22.8° |
| O27 | S11 | N | H | 34.4° | 131.4° |
| O27 | S11 | C12 | C17 | 41.5° | 155.3° |
| O27 | S11 | C12 | C13 | 142.3° | 24.7° |
| S11 | N | CA | H | 125.2° | 154.6° |
| S11 | N | CA | C | 74.0° | 85.9° |
| S11 | N | CA | CB | 163.9° | 149.9° |
| S11 | N | CA | HA | 40.7° | 30.0° |
| N | S11 | C12 | C17 | 72.6° | 90.0° |
| N | S11 | C12 | C13 | 103.6° | 90.0° |
| C12 | S11 | N | CA | 153.0° | 90.0° |
| C12 | S11 | N | H | 81.7° | 115.8° |
| S11 | C12 | C17 | C13 | 176.5° | 180.0° |
| S11 | C12 | C17 | C16 | 177.9° | 180.0° |
| S11 | C12 | C17 | H17 | 2.1° | 0.0° |
| S11 | C12 | C13 | C14 | 177.3° | 180.0° |
| S11 | C12 | C13 | H13 | 2.7° | 0.0° |
| N | CA | C | CB | 119.3° | 124.2° |
| N | CA | C | HA | 117.7° | 115.5° |
| N | CA | CB | HA | 118.3° | 118.7° |
| N | CA | C | OXT | 105.8° | 175.6° |
| N | CA | C | O | 70.0° | 4.4° |
| N | CA | CB | CG | 168.2° | 53.6° |
| N | CA | CB | HBC1 | 66.5° | 178.1° |
| N | CA | CB | HBC2 | 43.0° | 67.2° |
| H | N | CA | C | 51.2° | 68.7° |
| H | N | CA | CB | 70.9° | 55.5° |
| H | N | CA | HA | 165.9° | 175.4° |
| C | CA | CB | HA | 115.1° | 119.5° |
| CA | C | OXT | O | 175.5° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| C | CA | CB | CG | 65.2° | 175.5° |
| C | CA | CB | HBC1 | 60.1° | 60.0° |
| C | CA | CB | HBC2 | 169.6° | 54.7° |
| CB | CA | C | OXT | 134.8° | 60.2° |
| CB | CA | C | O | 49.3° | 119.7° |
| CA | CB | CG | HBC1 | 125.3° | 124.0° |
| CA | CB | CG | HBC2 | 125.3° | 121.3° |
| CA | CB | HBC1 | HBC2 | 117.7° | 116.2° |
| CA | CB | CG | CD | 173.1° | 64.0° |
| CA | CB | CG | HGC1 | 47.8° | 59.0° |
| CA | CB | CG | HGC2 | 61.7° | 175.6° |
| HA | CA | C | OXT | 11.9° | 60.1° |
| HA | CA | C | O | 172.3° | 119.9° |
| HA | CA | CB | CG | 49.9° | 65.1° |
| HA | CA | CB | HBC1 | 175.2° | 59.4° |
| HA | CA | CB | HBC2 | 75.3° | 174.1° |
| O | C | OXT | HXT | 4.4° | 0.0° |
| CG | CB | HBC1 | HBC2 | 117.7° | 115.6° |
| CB | CG | CD | HGC1 | 125.2° | 124.5° |
| CB | CG | CD | HGC2 | 125.3° | 121.8° |
| CB | CG | HGC1 | HGC2 | 118.1° | 119.1° |
| CB | CG | CD | OE2 | 102.3° | 153.9° |
| CB | CG | CD | OE1 | 78.3° | 25.5° |
| HBC1 | CB | CG | CD | 61.7° | 60.0° |
| HBC1 | CB | CG | HGC1 | 173.1° | 177.0° |
| HBC1 | CB | CG | HGC2 | 63.6° | 60.4° |
| HBC2 | CB | CG | CD | 47.8° | 174.7° |
| HBC2 | CB | CG | HGC1 | 77.4° | 62.3° |
| HBC2 | CB | CG | HGC2 | 173.1° | 54.3° |
| CD | CG | HGC1 | HGC2 | 118.1° | 114.8° |
| CG | CD | OE2 | OE1 | 179.3° | 179.4° |
| CG | CD | OE2 | HE2 | 180.0° | 179.4° |
| HGC1 | CG | CD | OE2 | 22.9° | 29.4° |
| HGC1 | CG | CD | OE1 | 156.4° | 150.0° |
| HGC2 | CG | CD | OE2 | 132.4° | 84.3° |
| HGC2 | CG | CD | OE1 | 46.9° | 96.3° |
| OE1 | CD | OE2 | HE2 | 0.8° | 0.0° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | C15 | 0.5° | 0.0° |
| C12 | C17 | C16 | H16 | 179.4° | 180.0° |
| C17 | C12 | C13 | C14 | 1.2° | 0.0° |
| C17 | C12 | C13 | H13 | 178.8° | 180.0° |
| C13 | C12 | C17 | C16 | 1.4° | 0.0° |
| C13 | C12 | C17 | H17 | 178.6° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.1° |
| C12 | C13 | C14 | C18 | 179.1° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C21 | 179.0° | 180.0° |
| C17 | C16 | C15 | C14 | 0.6° | 0.1° |
| H17 | C17 | C16 | C15 | 179.5° | 180.0° |
| H17 | C17 | C16 | H16 | 0.6° | 0.1° |
| C16 | C15 | C21 | C14 | 179.5° | 180.0° |
| C16 | C15 | C21 | C20 | 178.4° | 180.0° |
| C16 | C15 | C21 | H21 | 1.6° | 0.0° |
| C16 | C15 | C14 | C18 | 180.0° | 180.0° |
| C16 | C15 | C14 | C13 | 0.8° | 0.1° |
| H16 | C16 | C15 | C21 | 1.0° | 0.1° |
| H16 | C16 | C15 | C14 | 179.5° | 180.0° |
| C15 | C21 | C20 | H21 | 180.0° | 180.0° |
| C15 | C21 | C20 | C19 | 2.6° | 0.0° |
| C15 | C21 | C20 | O22 | 179.7° | 179.9° |
| C21 | C15 | C14 | C18 | 0.5° | 0.0° |
| C21 | C15 | C14 | C13 | 178.8° | 180.0° |
| C14 | C15 | C21 | C20 | 2.0° | 0.0° |
| C14 | C15 | C21 | H21 | 177.9° | 180.0° |
| C15 | C14 | C18 | C19 | 0.5° | 0.0° |
| C15 | C14 | C18 | C13 | 179.2° | 179.9° |
| C15 | C14 | C18 | H18 | 179.5° | 180.0° |
| C15 | C14 | C13 | H13 | 179.9° | 180.0° |
| C21 | C20 | C19 | O22 | 177.1° | 180.0° |
| C21 | C20 | C19 | C18 | 1.6° | 0.0° |
| C21 | C20 | C19 | H19 | 178.4° | 180.0° |
| C21 | C20 | O22 | C23 | 133.9° | 150.1° |
| H21 | C21 | C20 | C19 | 177.4° | 180.0° |
| H21 | C21 | C20 | O22 | 0.2° | 0.0° |
| C20 | C19 | C18 | H19 | 180.0° | 180.0° |
| C20 | C19 | C18 | C14 | 0.0° | 0.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C19 | C20 | O22 | C23 | 43.2° | 30.0° |
| O22 | C20 | C19 | C18 | 178.6° | 179.9° |
| O22 | C20 | C19 | H19 | 1.3° | 0.0° |
| C20 | O22 | C23 | C24 | 100.4° | 150.8° |
| C20 | O22 | C23 | H231 | 24.8° | 30.0° |
| C20 | O22 | C23 | H232 | 134.3° | 88.4° |
| C19 | C18 | C14 | H18 | 180.0° | 180.0° |
| C19 | C18 | C14 | C13 | 179.8° | 180.0° |
| H19 | C19 | C18 | C14 | 180.0° | 180.0° |
| H19 | C19 | C18 | H18 | 0.0° | 0.0° |
| C18 | C14 | C13 | H13 | 0.9° | 0.0° |
| H18 | C18 | C14 | C13 | 0.2° | 0.0° |
| O22 | C23 | C24 | H231 | 125.2° | 119.4° |
| O22 | C23 | C24 | H232 | 125.3° | 119.3° |
| O22 | C23 | H231 | H232 | 117.1° | 118.1° |
| O22 | C23 | C24 | C25 | 172.5° | 179.3° |
| O22 | C23 | C24 | H241 | 47.3° | 58.3° |
| O22 | C23 | C24 | H242 | 62.2° | 57.1° |
| C24 | C23 | H231 | H232 | 117.1° | 122.4° |
| C23 | C24 | C25 | H241 | 125.2° | 121.8° |
| C23 | C24 | C25 | H242 | 125.3° | 121.7° |
| C23 | C24 | H241 | H242 | 118.4° | 117.7° |
| C23 | C24 | C25 | C26 | 141.1° | 178.2° |
| C23 | C24 | C25 | H251 | 93.7° | 57.1° |
| C23 | C24 | C25 | H252 | 15.8° | 60.7° |
| H231 | C23 | C24 | C25 | 62.2° | 60.0° |
| H231 | C23 | C24 | H241 | 172.5° | 177.7° |
| H231 | C23 | C24 | H242 | 63.0° | 62.3° |
| H232 | C23 | C24 | C25 | 47.2° | 61.3° |
| H232 | C23 | C24 | H241 | 78.0° | 61.0° |
| H232 | C23 | C24 | H242 | 172.5° | 176.5° |
| C25 | C24 | H241 | H242 | 118.4° | 119.2° |
| C24 | C25 | C26 | H251 | 125.2° | 121.6° |
| C24 | C25 | C26 | H252 | 125.3° | 121.5° |
| C24 | C25 | H251 | H252 | 116.8° | 119.4° |
| C24 | C25 | C26 | H261 | 54.8° | 60.2° |
| C24 | C25 | C26 | H262 | 54.7° | 60.3° |
| C24 | C25 | C26 | H263 | 180.0° | 179.9° |
| H241 | C24 | C25 | C26 | 15.8° | 60.0° |
| H241 | C24 | C25 | H251 | 141.1° | 178.9° |
| H241 | C24 | C25 | H252 | 109.5° | 61.1° |
| H242 | C24 | C25 | C26 | 93.7° | 56.5° |
| H242 | C24 | C25 | H251 | 31.6° | 64.6° |
| H242 | C24 | C25 | H252 | 141.0° | 177.6° |
| C26 | C25 | H251 | H252 | 116.9° | 118.1° |
| C25 | C26 | H261 | H262 | 116.9° | 122.1° |
| C25 | C26 | H261 | H263 | 126.3° | 121.0° |
| C25 | C26 | H262 | H263 | 126.3° | 121.0° |
| H251 | C25 | C26 | H261 | 180.0° | 61.3° |
| H251 | C25 | C26 | H262 | 70.5° | 178.2° |
| H251 | C25 | C26 | H263 | 54.8° | 58.4° |
| H252 | C25 | C26 | H261 | 70.5° | 178.2° |
| H252 | C25 | C26 | H262 | 180.0° | 61.2° |
| H252 | C25 | C26 | H263 | 54.7° | 58.6° |
| H261 | C26 | H262 | H263 | 116.8° | 116.9° |
