LK2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O32 | S11 | doub | 1.45Å | 1.46Å | |
| S11 | O33 | doub | 1.45Å | 1.49Å | |
| S11 | N | sing | 1.71Å | 1.62Å | |
| S11 | C12 | sing | 1.77Å | 1.63Å | |
| N | CA | sing | 1.46Å | 1.47Å | |
| N | H | sing | 1.03Å | 1.02Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| CA | CB | sing | 1.54Å | 1.54Å | |
| CA | HA | sing | 1.10Å | 1.11Å | |
| C | O | doub | 1.22Å | 1.25Å | |
| C | OXT | sing | 1.36Å | 1.26Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CB | CG | sing | 1.53Å | 1.54Å | |
| CB | HBC1 | sing | 1.10Å | 1.12Å | |
| CB | HBC2 | sing | 1.10Å | 1.11Å | |
| CG | CD | sing | 1.51Å | 1.52Å | |
| CG | HGC1 | sing | 1.10Å | 1.11Å | |
| CG | HGC2 | sing | 1.10Å | 1.11Å | |
| CD | OE2 | sing | 1.36Å | 1.26Å | |
| CD | OE1 | doub | 1.22Å | 1.25Å | |
| OE2 | HE2 | sing | 0.98Å | 0.95Å | |
| C12 | C13 | sing | 1.38Å | 1.40Å | Aromatic |
| C12 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.41Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | doub | 1.42Å | 1.41Å | Aromatic |
| C15 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C17 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | doub | 1.39Å | 1.41Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C20 | C19 | sing | 1.39Å | 1.41Å | Aromatic |
| C20 | O22 | sing | 1.36Å | 1.39Å | |
| C19 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| O22 | C23 | sing | 1.43Å | 1.44Å | |
| C23 | C24 | sing | 1.52Å | 1.52Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C24 | C29 | sing | 1.53Å | 1.52Å | |
| C24 | H241 | sing | 1.10Å | 1.12Å | |
| C24 | H242 | sing | 1.10Å | 1.11Å | |
| C29 | C44 | sing | 1.52Å | 1.51Å | |
| C29 | H291 | sing | 1.10Å | 1.11Å | |
| C29 | H292 | sing | 1.10Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O32 | S11 | O33 | 110.5° | 120.2° |
| O32 | S11 | N | 107.2° | 109.1° |
| O32 | S11 | C12 | 111.1° | 108.0° |
| O33 | S11 | N | 107.0° | 109.4° |
| O33 | S11 | C12 | 111.3° | 106.9° |
| N | S11 | C12 | 109.6° | 101.6° |
| S11 | N | CA | 121.1° | 120.5° |
| S11 | N | H | 108.0° | 118.2° |
| S11 | C12 | C13 | 119.8° | 119.2° |
| S11 | C12 | C17 | 121.8° | 119.3° |
| CA | N | H | 108.1° | 116.4° |
| N | CA | C | 113.3° | 108.1° |
| N | CA | CB | 108.1° | 112.1° |
| N | CA | HA | 108.3° | 107.2° |
| C | CA | CB | 111.0° | 112.2° |
| C | CA | HA | 105.3° | 107.7° |
| CA | C | O | 118.0° | 125.5° |
| CA | C | OXT | 120.4° | 111.9° |
| CB | CA | HA | 110.9° | 109.3° |
| CA | CB | CG | 112.1° | 116.2° |
| CA | CB | HBC1 | 111.2° | 108.8° |
| CA | CB | HBC2 | 111.3° | 108.3° |
| O | C | OXT | 121.6° | 122.6° |
| C | OXT | HXT | 120.4° | 115.3° |
| CG | CB | HBC1 | 111.2° | 109.8° |
| CG | CB | HBC2 | 111.2° | 107.3° |
| CB | CG | CD | 112.4° | 113.9° |
| CB | CG | HGC1 | 111.1° | 111.3° |
| CB | CG | HGC2 | 111.1° | 109.8° |
| HBC1 | CB | HBC2 | 99.1° | 106.0° |
| CD | CG | HGC1 | 111.1° | 108.5° |
| CD | CG | HGC2 | 111.1° | 107.3° |
| CG | CD | OE2 | 121.3° | 112.7° |
| CG | CD | OE1 | 115.1° | 123.9° |
| HGC1 | CG | HGC2 | 99.2° | 105.6° |
| OE2 | CD | OE1 | 123.5° | 123.4° |
| CD | OE2 | HE2 | 121.3° | 115.1° |
| C13 | C12 | C17 | 118.4° | 121.5° |
| C12 | C13 | C14 | 121.3° | 119.3° |
| C12 | C13 | H13 | 119.2° | 121.4° |
| C12 | C17 | C16 | 121.2° | 120.0° |
| C12 | C17 | H17 | 119.2° | 120.2° |
| C14 | C13 | H13 | 119.5° | 119.3° |
| C13 | C14 | C15 | 120.0° | 120.7° |
| C13 | C14 | H14 | 120.2° | 118.9° |
| C15 | C14 | H14 | 119.8° | 120.5° |
| C14 | C15 | C16 | 119.7° | 119.3° |
| C14 | C15 | C21 | 119.3° | 121.5° |
| C16 | C15 | C21 | 120.9° | 119.3° |
| C15 | C16 | C17 | 119.3° | 119.3° |
| C15 | C16 | C18 | 120.2° | 119.3° |
| C15 | C21 | C20 | 118.8° | 120.7° |
| C15 | C21 | H21 | 120.2° | 120.2° |
| C17 | C16 | C18 | 120.5° | 121.5° |
| C16 | C17 | H17 | 119.5° | 119.8° |
| C16 | C18 | C19 | 119.2° | 120.7° |
| C16 | C18 | H18 | 120.1° | 120.5° |
| C20 | C21 | H21 | 120.9° | 119.1° |
| C21 | C20 | C19 | 121.0° | 120.0° |
| C21 | C20 | O22 | 119.1° | 120.0° |
| C19 | C20 | O22 | 119.9° | 120.0° |
| C20 | C19 | C18 | 119.8° | 120.0° |
| C20 | C19 | H19 | 119.6° | 120.3° |
| C20 | O22 | C23 | 121.6° | 117.1° |
| C18 | C19 | H19 | 120.5° | 119.7° |
| C19 | C18 | H18 | 120.7° | 118.8° |
| O22 | C23 | C24 | 110.3° | 108.8° |
| O22 | C23 | H231 | 111.9° | 108.5° |
| O22 | C23 | H232 | 111.9° | 108.6° |
| C24 | C23 | H231 | 111.9° | 111.0° |
| C24 | C23 | H232 | 111.9° | 110.9° |
| C23 | C24 | C29 | 112.5° | 111.7° |
| C23 | C24 | H241 | 111.1° | 109.3° |
| C23 | C24 | H242 | 111.1° | 109.3° |
| H231 | C23 | H232 | 98.5° | 109.0° |
| C29 | C24 | H241 | 111.1° | 110.3° |
| C29 | C24 | H242 | 111.1° | 110.2° |
| C24 | C29 | C44 | 109.3° | 111.5° |
| C24 | C29 | H291 | 112.3° | 109.8° |
| C24 | C29 | H292 | 112.3° | 109.8° |
| H241 | C24 | H242 | 99.2° | 105.8° |
| C44 | C29 | H291 | 112.3° | 109.2° |
| C44 | C29 | H292 | 112.3° | 109.2° |
| C29 | C44 | H441 | 112.3° | 111.0° |
| C29 | C44 | H442 | 112.3° | 111.0° |
| C29 | C44 | H443 | 109.2° | 110.3° |
| H291 | C29 | H292 | 98.1° | 107.2° |
| H441 | C44 | H442 | 98.2° | 108.3° |
| H441 | C44 | H443 | 112.3° | 108.1° |
| H442 | C44 | H443 | 112.3° | 108.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O32 | S11 | O33 | N | 116.4° | 127.2° |
| O32 | S11 | O33 | C12 | 124.0° | 123.4° |
| O32 | S11 | N | C12 | 120.7° | 113.9° |
| O32 | S11 | N | CA | 41.4° | 156.1° |
| O32 | S11 | N | H | 166.7° | 1.9° |
| O32 | S11 | C12 | C13 | 30.9° | 24.7° |
| O32 | S11 | C12 | C17 | 150.4° | 155.4° |
| O33 | S11 | N | C12 | 120.7° | 112.8° |
| O33 | S11 | N | CA | 160.0° | 22.9° |
| O33 | S11 | N | H | 74.8° | 131.4° |
| O33 | S11 | C12 | C13 | 154.5° | 155.3° |
| O33 | S11 | C12 | C17 | 26.8° | 24.7° |
| S11 | N | CA | H | 125.3° | 154.6° |
| S11 | N | CA | C | 78.0° | 145.9° |
| S11 | N | CA | CB | 158.7° | 89.9° |
| S11 | N | CA | HA | 38.5° | 30.0° |
| N | S11 | C12 | C13 | 87.4° | 90.0° |
| N | S11 | C12 | C17 | 91.3° | 90.0° |
| C12 | S11 | N | CA | 79.3° | 90.0° |
| C12 | S11 | N | H | 46.0° | 115.8° |
| S11 | C12 | C13 | C17 | 178.8° | 180.0° |
| S11 | C12 | C13 | C14 | 179.6° | 180.0° |
| S11 | C12 | C13 | H13 | 0.4° | 0.0° |
| S11 | C12 | C17 | C16 | 179.7° | 180.0° |
| S11 | C12 | C17 | H17 | 0.3° | 0.0° |
| N | CA | C | CB | 121.8° | 124.1° |
| N | CA | C | HA | 118.2° | 115.5° |
| N | CA | CB | HA | 118.6° | 118.7° |
| N | CA | C | O | 34.9° | 4.5° |
| N | CA | C | OXT | 145.7° | 175.4° |
| N | CA | CB | CG | 171.8° | 57.4° |
| N | CA | CB | HBC1 | 63.0° | 178.2° |
| N | CA | CB | HBC2 | 46.5° | 63.4° |
| H | N | CA | C | 156.7° | 59.5° |
| H | N | CA | CB | 33.4° | 64.7° |
| H | N | CA | HA | 86.8° | 175.4° |
| C | CA | CB | HA | 116.6° | 119.4° |
| CA | C | O | OXT | 179.4° | 179.9° |
| CA | C | OXT | HXT | 180.0° | 179.9° |
| C | CA | CB | CG | 47.0° | 64.5° |
| C | CA | CB | HBC1 | 172.3° | 60.0° |
| C | CA | CB | HBC2 | 78.2° | 174.7° |
| CB | CA | C | O | 86.9° | 119.7° |
| CB | CA | C | OXT | 92.5° | 60.4° |
| CA | CB | CG | HBC1 | 125.3° | 124.0° |
| CA | CB | CG | HBC2 | 125.3° | 121.3° |
| CA | CB | HBC1 | HBC2 | 117.2° | 116.2° |
| CA | CB | CG | CD | 169.4° | 176.0° |
| CA | CB | CG | HGC1 | 65.3° | 61.0° |
| CA | CB | CG | HGC2 | 44.1° | 55.6° |
| HA | CA | C | O | 153.1° | 120.0° |
| HA | CA | C | OXT | 27.5° | 59.9° |
| HA | CA | CB | CG | 69.6° | 176.1° |
| HA | CA | CB | HBC1 | 55.6° | 59.5° |
| HA | CA | CB | HBC2 | 165.1° | 55.3° |
| O | C | OXT | HXT | 0.6° | 0.0° |
| CG | CB | HBC1 | HBC2 | 117.1° | 115.6° |
| CB | CG | CD | HGC1 | 125.3° | 124.6° |
| CB | CG | CD | HGC2 | 125.3° | 121.7° |
| CB | CG | HGC1 | HGC2 | 117.0° | 119.1° |
| CB | CG | CD | OE2 | 5.3° | 176.0° |
| CB | CG | CD | OE1 | 174.8° | 4.5° |
| HBC1 | CB | CG | CD | 44.1° | 60.0° |
| HBC1 | CB | CG | HGC1 | 169.4° | 63.0° |
| HBC1 | CB | CG | HGC2 | 81.1° | 179.6° |
| HBC2 | CB | CG | CD | 65.3° | 54.7° |
| HBC2 | CB | CG | HGC1 | 59.9° | 177.7° |
| HBC2 | CB | CG | HGC2 | 169.4° | 65.7° |
| CD | CG | HGC1 | HGC2 | 117.0° | 114.8° |
| CG | CD | OE2 | OE1 | 179.9° | 179.4° |
| CG | CD | OE2 | HE2 | 180.0° | 179.4° |
| HGC1 | CG | CD | OE2 | 120.0° | 59.4° |
| HGC1 | CG | CD | OE1 | 59.9° | 120.0° |
| HGC2 | CG | CD | OE2 | 130.5° | 54.3° |
| HGC2 | CG | CD | OE1 | 49.6° | 126.3° |
| OE1 | CD | OE2 | HE2 | 0.1° | 0.1° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 0.1° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 180.0° |
| C13 | C12 | C17 | C16 | 1.6° | 0.0° |
| C13 | C12 | C17 | H17 | 178.4° | 180.0° |
| C17 | C12 | C13 | C14 | 0.8° | 0.0° |
| C17 | C12 | C13 | H13 | 179.2° | 180.0° |
| C12 | C17 | C16 | C15 | 1.3° | 0.0° |
| C12 | C17 | C16 | H17 | 180.0° | 180.0° |
| C12 | C17 | C16 | C18 | 179.2° | 180.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.4° | 0.0° |
| C13 | C14 | C15 | C21 | 179.8° | 180.0° |
| H13 | C13 | C14 | C15 | 179.9° | 180.0° |
| H13 | C13 | C14 | H14 | 0.1° | 0.0° |
| C14 | C15 | C16 | C21 | 179.8° | 180.0° |
| C14 | C15 | C16 | C17 | 0.3° | 0.0° |
| C14 | C15 | C16 | C18 | 179.8° | 180.0° |
| C14 | C15 | C21 | C20 | 179.7° | 180.0° |
| C14 | C15 | C21 | H21 | 0.3° | 0.0° |
| H14 | C14 | C15 | C16 | 179.6° | 180.0° |
| H14 | C14 | C15 | C21 | 0.1° | 0.0° |
| C15 | C16 | C17 | C18 | 179.4° | 180.0° |
| C15 | C16 | C17 | H17 | 178.7° | 180.0° |
| C16 | C15 | C21 | C20 | 0.1° | 0.0° |
| C16 | C15 | C21 | H21 | 179.9° | 180.0° |
| C15 | C16 | C18 | C19 | 0.1° | 0.0° |
| C15 | C16 | C18 | H18 | 179.9° | 180.0° |
| C21 | C15 | C16 | C17 | 179.4° | 180.0° |
| C21 | C15 | C16 | C18 | 0.0° | 0.0° |
| C15 | C21 | C20 | H21 | 180.0° | 179.9° |
| C15 | C21 | C20 | C19 | 0.1° | 0.0° |
| C15 | C21 | C20 | O22 | 179.3° | 180.0° |
| C17 | C16 | C18 | C19 | 179.3° | 180.0° |
| C17 | C16 | C18 | H18 | 0.7° | 0.0° |
| C18 | C16 | C17 | H17 | 0.8° | 0.0° |
| C16 | C18 | C19 | C20 | 0.2° | 0.0° |
| C16 | C18 | C19 | H18 | 180.0° | 180.0° |
| C16 | C18 | C19 | H19 | 179.8° | 180.0° |
| C21 | C20 | C19 | O22 | 179.3° | 179.9° |
| C21 | C20 | C19 | C18 | 0.1° | 0.0° |
| C21 | C20 | C19 | H19 | 179.9° | 179.9° |
| C21 | C20 | O22 | C23 | 24.2° | 150.1° |
| H21 | C21 | C20 | C19 | 179.9° | 180.0° |
| H21 | C21 | C20 | O22 | 0.7° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 179.9° | 180.0° |
| C19 | C20 | O22 | C23 | 155.1° | 30.0° |
| O22 | C20 | C19 | C18 | 179.2° | 179.9° |
| O22 | C20 | C19 | H19 | 0.8° | 0.0° |
| C20 | O22 | C23 | C24 | 143.1° | 150.8° |
| C20 | O22 | C23 | H231 | 91.6° | 30.0° |
| C20 | O22 | C23 | H232 | 17.9° | 88.3° |
| H19 | C19 | C18 | H18 | 0.1° | 0.1° |
| O22 | C23 | C24 | H231 | 125.3° | 119.3° |
| O22 | C23 | C24 | H232 | 125.3° | 119.4° |
| O22 | C23 | H231 | H232 | 117.8° | 118.0° |
| O22 | C23 | C24 | C29 | 69.3° | 179.3° |
| O22 | C23 | C24 | H241 | 56.0° | 58.4° |
| O22 | C23 | C24 | H242 | 165.4° | 57.1° |
| C24 | C23 | H231 | H232 | 117.8° | 122.4° |
| C23 | C24 | C29 | H241 | 125.3° | 121.8° |
| C23 | C24 | C29 | H242 | 125.3° | 121.7° |
| C23 | C24 | H241 | H242 | 117.0° | 117.6° |
| C23 | C24 | C29 | C44 | 176.7° | 178.2° |
| C23 | C24 | C29 | H291 | 51.4° | 57.1° |
| C23 | C24 | C29 | H292 | 58.0° | 60.6° |
| H231 | C23 | C24 | C29 | 165.4° | 60.0° |
| H231 | C23 | C24 | H241 | 69.3° | 177.7° |
| H231 | C23 | C24 | H242 | 40.1° | 62.3° |
| H232 | C23 | C24 | C29 | 55.9° | 61.3° |
| H232 | C23 | C24 | H241 | 178.8° | 61.0° |
| H232 | C23 | C24 | H242 | 69.3° | 176.5° |
| C29 | C24 | H241 | H242 | 117.0° | 119.2° |
| C24 | C29 | C44 | H291 | 125.3° | 121.5° |
| C24 | C29 | C44 | H292 | 125.3° | 121.5° |
| C24 | C29 | H291 | H292 | 118.2° | 119.3° |
| C24 | C29 | C44 | H441 | 54.8° | 60.2° |
| C24 | C29 | C44 | H442 | 54.7° | 60.3° |
| C24 | C29 | C44 | H443 | 180.0° | 180.0° |
| H241 | C24 | C29 | C44 | 58.0° | 60.0° |
| H241 | C24 | C29 | H291 | 176.7° | 178.9° |
| H241 | C24 | C29 | H292 | 67.2° | 61.2° |
| H242 | C24 | C29 | C44 | 51.4° | 56.5° |
| H242 | C24 | C29 | H291 | 73.9° | 64.6° |
| H242 | C24 | C29 | H292 | 176.7° | 177.7° |
| C44 | C29 | H291 | H292 | 118.2° | 118.1° |
| C29 | C44 | H441 | H442 | 118.2° | 122.1° |
| C29 | C44 | H441 | H443 | 123.5° | 121.1° |
| C29 | C44 | H442 | H443 | 123.6° | 121.0° |
| H291 | C29 | C44 | H441 | 179.9° | 61.4° |
| H291 | C29 | C44 | H442 | 70.5° | 178.1° |
| H291 | C29 | C44 | H443 | 54.7° | 58.4° |
| H292 | C29 | C44 | H441 | 70.5° | 178.3° |
| H292 | C29 | C44 | H442 | NaN° | 61.2° |
| H292 | C29 | C44 | H443 | 54.7° | 58.5° |
| H441 | C44 | H442 | H443 | 118.2° | 116.9° |
