LK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N31 | C30 | trip | 1.16Å | 1.16Å | |
| C30 | C27 | sing | 1.43Å | 1.28Å | |
| C27 | C28 | sing | 1.39Å | 1.38Å | |
| C28 | C29 | doub | 1.40Å | 1.37Å | |
| C27 | C26 | doub | 1.39Å | 1.41Å | |
| C26 | C25 | sing | 1.39Å | 1.40Å | |
| C29 | C24 | sing | 1.39Å | 1.38Å | |
| C25 | C24 | doub | 1.39Å | 1.40Å | |
| C24 | C23 | sing | 1.50Å | 1.49Å | |
| C23 | O22 | sing | 1.43Å | 1.39Å | |
| O22 | C20 | sing | 1.36Å | 1.37Å | |
| C20 | C19 | sing | 1.39Å | 1.42Å | |
| C19 | C18 | doub | 1.40Å | 1.42Å | |
| C20 | C21 | doub | 1.39Å | 1.36Å | |
| C21 | C15 | sing | 1.40Å | 1.37Å | |
| C18 | C16 | sing | 1.40Å | 1.41Å | |
| C15 | C16 | doub | 1.42Å | 1.39Å | |
| C16 | C17 | sing | 1.40Å | 1.40Å | |
| C15 | C14 | sing | 1.41Å | 1.37Å | |
| C14 | C13 | doub | 1.39Å | 1.36Å | |
| C17 | C12 | doub | 1.38Å | 1.41Å | |
| C13 | C12 | sing | 1.38Å | 1.38Å | |
| C12 | S11 | sing | 1.77Å | 1.60Å | |
| S11 | O33 | doub | 1.45Å | 1.48Å | |
| S11 | O32 | doub | 1.45Å | 1.47Å | |
| S11 | N | sing | 1.71Å | 1.62Å | |
| N | CA | sing | 1.46Å | 1.46Å | |
| CA | C | sing | 1.52Å | 1.52Å | |
| C | O | doub | 1.22Å | 1.24Å | |
| C | OXT | sing | 1.36Å | 1.24Å | |
| CA | CB | sing | 1.54Å | 1.55Å | |
| CB | CG | sing | 1.53Å | 1.52Å | |
| CG | CD | sing | 1.51Å | 1.51Å | |
| CD | OE1 | doub | 1.22Å | 1.25Å | |
| CD | OE2 | sing | 1.36Å | 1.25Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.08Å | |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.10Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.08Å | |
| C14 | H14 | sing | 1.09Å | 1.08Å | |
| C17 | H17 | sing | 1.09Å | 1.08Å | |
| C13 | H13 | sing | 1.09Å | 1.08Å | |
| N | H | sing | 1.03Å | 1.00Å | |
| CA | HA | sing | 1.10Å | 1.10Å | |
| CB | HBC1 | sing | 1.10Å | 1.10Å | |
| CB | HBC2 | sing | 1.10Å | 1.10Å | |
| OXT | HXT | sing | 0.98Å | 0.95Å | |
| CG | HGC1 | sing | 1.10Å | 1.10Å | |
| CG | HGC2 | sing | 1.10Å | 1.10Å | |
| OE2 | HE2 | sing | 0.98Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N31 | C30 | C27 | 170.4° | 179.9° |
| C30 | C27 | C28 | 114.6° | 120.0° |
| C30 | C27 | C26 | 124.5° | 120.0° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C28 | C27 | C26 | 120.9° | 120.0° |
| C27 | C28 | H28 | 120.1° | 120.9° |
| C28 | C29 | C24 | 119.6° | 119.6° |
| C29 | C28 | H28 | 120.1° | 119.1° |
| C28 | C29 | H29 | 120.2° | 119.5° |
| C27 | C26 | C25 | 119.6° | 120.0° |
| C27 | C26 | H26 | 120.2° | 120.8° |
| C26 | C25 | C24 | 117.5° | 119.7° |
| C25 | C26 | H26 | 120.2° | 119.2° |
| C26 | C25 | H25 | 121.3° | 119.4° |
| C29 | C24 | C25 | 122.6° | 120.7° |
| C29 | C24 | C23 | 112.1° | 119.7° |
| C24 | C29 | H29 | 120.2° | 120.8° |
| C25 | C24 | C23 | 125.1° | 119.7° |
| C24 | C25 | H25 | 121.3° | 120.9° |
| C24 | C23 | O22 | 117.9° | 109.0° |
| C24 | C23 | H231 | 106.8° | 111.0° |
| C24 | C23 | H232 | 104.8° | 110.7° |
| C23 | O22 | C20 | 112.8° | 117.0° |
| O22 | C23 | H231 | 106.7° | 109.0° |
| O22 | C23 | H232 | 104.8° | 109.1° |
| O22 | C20 | C19 | 126.1° | 120.0° |
| O22 | C20 | C21 | 112.6° | 120.0° |
| C20 | C19 | C18 | 119.1° | 120.0° |
| C19 | C20 | C21 | 121.3° | 120.0° |
| C20 | C19 | H19 | 120.5° | 120.3° |
| C19 | C18 | C16 | 118.6° | 120.7° |
| C18 | C19 | H19 | 120.5° | 119.7° |
| C19 | C18 | H18 | 120.7° | 118.8° |
| C20 | C21 | C15 | 119.3° | 120.7° |
| C20 | C21 | H21 | 120.4° | 119.1° |
| C21 | C15 | C16 | 122.5° | 119.3° |
| C21 | C15 | C14 | 113.6° | 121.5° |
| C15 | C21 | H21 | 120.4° | 120.2° |
| C18 | C16 | C15 | 119.2° | 119.3° |
| C18 | C16 | C17 | 123.2° | 121.5° |
| C16 | C18 | H18 | 120.7° | 120.5° |
| C15 | C16 | C17 | 117.6° | 119.3° |
| C16 | C15 | C14 | 123.9° | 119.3° |
| C16 | C17 | C12 | 118.3° | 120.0° |
| C16 | C17 | H17 | 120.9° | 119.8° |
| C15 | C14 | C13 | 118.0° | 120.7° |
| C15 | C14 | H14 | 121.0° | 120.5° |
| C14 | C13 | C12 | 120.9° | 119.3° |
| C13 | C14 | H14 | 121.0° | 118.9° |
| C14 | C13 | H13 | 119.6° | 119.3° |
| C17 | C12 | C13 | 121.4° | 121.5° |
| C17 | C12 | S11 | 125.2° | 119.3° |
| C12 | C17 | H17 | 120.8° | 120.2° |
| C13 | C12 | S11 | 113.4° | 119.2° |
| C12 | C13 | H13 | 119.6° | 121.4° |
| C12 | S11 | O33 | 113.5° | 108.0° |
| C12 | S11 | O32 | 106.7° | 106.9° |
| C12 | S11 | N | 106.5° | 101.6° |
| O33 | S11 | O32 | 114.2° | 120.2° |
| O33 | S11 | N | 106.0° | 109.1° |
| O32 | S11 | N | 109.6° | 109.4° |
| S11 | N | CA | 119.1° | 120.5° |
| S11 | N | H | 106.4° | 118.2° |
| N | CA | C | 112.0° | 108.1° |
| N | CA | CB | 110.1° | 112.1° |
| CA | N | H | 106.4° | 116.4° |
| N | CA | HA | 107.5° | 107.2° |
| CA | C | O | 119.7° | 125.5° |
| CA | C | OXT | 119.9° | 111.9° |
| C | CA | CB | 109.9° | 112.2° |
| C | CA | HA | 107.7° | 107.7° |
| O | C | OXT | 120.4° | 122.6° |
| C | OXT | HXT | 109.5° | 115.3° |
| CA | CB | CG | 110.2° | 116.2° |
| CB | CA | HA | 109.6° | 109.3° |
| CA | CB | HBC1 | 109.2° | 108.8° |
| CA | CB | HBC2 | 109.1° | 108.3° |
| CB | CG | CD | 111.9° | 113.9° |
| CG | CB | HBC1 | 109.2° | 109.8° |
| CG | CB | HBC2 | 109.1° | 107.3° |
| CB | CG | HGC1 | 108.7° | 111.3° |
| CB | CG | HGC2 | 108.1° | 109.8° |
| CG | CD | OE1 | 117.3° | 123.9° |
| CG | CD | OE2 | 119.8° | 112.7° |
| CD | CG | HGC1 | 108.6° | 108.5° |
| CD | CG | HGC2 | 108.1° | 107.3° |
| OE1 | CD | OE2 | 122.8° | 123.4° |
| CD | OE2 | HE2 | 109.5° | 115.1° |
| H231 | C23 | H232 | 116.3° | 107.9° |
| HBC1 | CB | HBC2 | 110.0° | 106.0° |
| HGC1 | CG | HGC2 | 111.4° | 105.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N31 | C30 | C27 | C28 | 102.3° | 104.7° |
| N31 | C30 | C27 | C26 | 76.9° | 75.3° |
| C30 | C27 | C28 | C26 | 179.2° | 180.0° |
| C30 | C27 | C28 | C29 | 178.5° | 179.9° |
| C30 | C27 | C26 | C25 | 179.3° | 180.0° |
| C30 | C27 | C28 | H28 | 1.5° | 0.0° |
| C30 | C27 | C26 | H26 | 0.7° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.9° |
| C28 | C27 | C26 | C25 | 0.1° | 0.1° |
| C27 | C28 | C29 | C24 | 1.9° | 0.1° |
| C28 | C27 | C26 | H26 | 179.9° | 179.9° |
| C27 | C28 | C29 | H29 | 178.1° | 180.0° |
| C29 | C28 | C27 | C26 | 0.7° | 0.0° |
| C28 | C29 | C24 | H29 | 180.0° | 179.9° |
| C28 | C29 | C24 | C25 | 2.4° | 0.0° |
| C28 | C29 | C24 | C23 | 177.0° | 180.0° |
| C27 | C26 | C25 | H26 | 180.0° | 179.9° |
| C27 | C26 | C25 | C24 | 0.2° | 0.1° |
| C26 | C27 | C28 | H28 | 179.3° | 179.9° |
| C27 | C26 | C25 | H25 | 179.7° | 180.0° |
| C26 | C25 | C24 | C29 | 1.5° | 0.0° |
| C26 | C25 | C24 | H25 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 175.4° | 180.0° |
| C29 | C24 | C25 | C23 | 173.9° | 180.0° |
| C29 | C24 | C23 | O22 | 128.0° | 90.0° |
| C24 | C29 | C28 | H28 | 178.1° | 180.0° |
| C29 | C24 | C25 | H25 | 178.5° | 180.0° |
| C29 | C24 | C23 | H231 | 8.0° | 149.9° |
| C29 | C24 | C23 | H232 | 116.0° | 30.1° |
| C25 | C24 | C23 | O22 | 57.6° | 90.0° |
| C24 | C25 | C26 | H26 | 179.7° | 179.9° |
| C25 | C24 | C29 | H29 | 177.6° | 180.0° |
| C25 | C24 | C23 | H231 | 177.6° | 30.1° |
| C25 | C24 | C23 | H232 | 58.5° | 149.9° |
| C24 | C23 | O22 | H231 | 120.0° | 121.3° |
| C24 | C23 | O22 | H232 | 116.0° | 121.1° |
| C24 | C23 | O22 | C20 | 131.5° | 178.7° |
| C23 | C24 | C29 | H29 | 3.0° | 0.0° |
| C23 | C24 | C25 | H25 | 4.6° | 0.0° |
| C24 | C23 | H231 | H232 | 116.5° | 121.5° |
| C23 | O22 | C20 | C19 | 8.8° | 0.0° |
| C23 | O22 | C20 | C21 | 169.4° | 179.9° |
| O22 | C23 | H231 | H232 | 116.5° | 118.4° |
| O22 | C20 | C19 | C21 | 178.1° | 179.9° |
| O22 | C20 | C19 | C18 | 178.7° | 179.9° |
| O22 | C20 | C21 | C15 | 179.0° | 180.0° |
| C20 | O22 | C23 | H231 | 11.5° | 60.0° |
| C20 | O22 | C23 | H232 | 112.5° | 57.6° |
| O22 | C20 | C19 | H19 | 1.3° | 0.0° |
| O22 | C20 | C21 | H21 | 1.0° | 0.1° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C19 | C20 | C21 | C15 | 0.7° | 0.0° |
| C20 | C19 | C18 | C16 | 0.0° | 0.0° |
| C19 | C20 | C21 | H21 | 179.3° | 180.0° |
| C20 | C19 | C18 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.7° | 0.0° |
| C19 | C18 | C16 | H18 | 180.0° | 180.0° |
| C19 | C18 | C16 | C15 | 0.5° | 0.0° |
| C19 | C18 | C16 | C17 | 179.9° | 180.0° |
| C20 | C21 | C15 | H21 | 180.0° | 179.9° |
| C20 | C21 | C15 | C16 | 0.2° | 0.0° |
| C20 | C21 | C15 | C14 | 180.0° | 180.0° |
| C21 | C20 | C19 | H19 | 179.4° | 179.9° |
| C21 | C15 | C16 | C18 | 0.5° | 0.0° |
| C21 | C15 | C16 | C14 | 179.8° | 180.0° |
| C21 | C15 | C16 | C17 | 180.0° | 180.0° |
| C21 | C15 | C14 | C13 | 179.9° | 180.0° |
| C21 | C15 | C14 | H14 | 0.0° | 0.0° |
| C18 | C16 | C15 | C17 | 179.6° | 180.0° |
| C18 | C16 | C15 | C14 | 179.3° | 180.0° |
| C18 | C16 | C17 | C12 | 179.2° | 180.0° |
| C16 | C18 | C19 | H19 | 180.0° | 180.0° |
| C18 | C16 | C17 | H17 | 0.9° | 0.0° |
| C16 | C15 | C14 | C13 | 0.1° | 0.0° |
| C15 | C16 | C17 | C12 | 0.4° | 0.0° |
| C16 | C15 | C21 | H21 | 179.8° | 180.0° |
| C15 | C16 | C18 | H18 | 179.5° | 180.0° |
| C16 | C15 | C14 | H14 | 179.9° | 180.0° |
| C15 | C16 | C17 | H17 | 179.6° | 180.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.0° |
| C16 | C17 | C12 | H17 | 180.0° | 180.0° |
| C16 | C17 | C12 | C13 | 0.4° | 0.0° |
| C16 | C17 | C12 | S11 | 179.1° | 180.0° |
| C17 | C16 | C18 | H18 | 0.1° | 0.0° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | C12 | 0.2° | 0.0° |
| C14 | C15 | C21 | H21 | 0.0° | 0.0° |
| C15 | C14 | C13 | H13 | 179.8° | 180.0° |
| C14 | C13 | C12 | C17 | 0.3° | 0.0° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | S11 | 179.2° | 180.0° |
| C17 | C12 | C13 | S11 | 178.9° | 180.0° |
| C17 | C12 | S11 | O33 | 27.7° | 155.4° |
| C17 | C12 | S11 | O32 | 154.4° | 24.7° |
| C17 | C12 | S11 | N | 88.6° | 90.0° |
| C17 | C12 | C13 | H13 | 179.6° | 180.0° |
| C13 | C12 | S11 | O33 | 153.5° | 24.7° |
| C13 | C12 | S11 | O32 | 26.7° | 155.3° |
| C13 | C12 | S11 | N | 90.2° | 90.0° |
| C12 | C13 | C14 | H14 | 179.8° | 180.0° |
| C13 | C12 | C17 | H17 | 179.5° | 180.0° |
| C12 | S11 | O33 | O32 | 122.7° | 122.9° |
| C12 | S11 | O33 | N | 116.6° | 109.7° |
| C12 | S11 | O32 | N | 114.9° | 109.3° |
| C12 | S11 | N | CA | 73.9° | 90.0° |
| S11 | C12 | C17 | H17 | 0.8° | 0.0° |
| S11 | C12 | C13 | H13 | 0.8° | 0.0° |
| C12 | S11 | N | H | 166.1° | 115.8° |
| O33 | S11 | O32 | N | 118.7° | 127.2° |
| O33 | S11 | N | CA | 164.8° | 156.1° |
| O33 | S11 | N | H | 44.8° | 1.9° |
| O32 | S11 | N | CA | 41.1° | 22.9° |
| O32 | S11 | N | H | 78.9° | 131.4° |
| S11 | N | CA | H | 120.0° | 154.6° |
| S11 | N | CA | C | 77.4° | 145.9° |
| S11 | N | CA | CB | 160.0° | 89.9° |
| S11 | N | CA | HA | 40.6° | 30.0° |
| N | CA | C | CB | 122.7° | 124.1° |
| N | CA | C | HA | 117.9° | 115.5° |
| N | CA | C | O | 140.4° | 4.5° |
| N | CA | C | OXT | 40.4° | 175.4° |
| N | CA | CB | HA | 118.0° | 118.7° |
| N | CA | CB | CG | 172.0° | 57.4° |
| N | CA | CB | HBC1 | 68.0° | 178.2° |
| N | CA | CB | HBC2 | 52.3° | 63.4° |
| CA | C | O | OXT | 179.2° | 179.9° |
| C | CA | CB | HA | 118.2° | 119.4° |
| C | CA | CB | CG | 64.2° | 64.5° |
| C | CA | N | H | 42.6° | 59.5° |
| C | CA | CB | HBC1 | 55.8° | 60.0° |
| C | CA | CB | HBC2 | 176.1° | 174.7° |
| CA | C | OXT | HXT | 179.2° | 179.9° |
| O | C | CA | CB | 96.9° | 119.7° |
| O | C | CA | HA | 22.5° | 120.0° |
| O | C | OXT | HXT | 0.0° | 0.0° |
| OXT | C | CA | CB | 82.3° | 60.4° |
| OXT | C | CA | HA | 158.3° | 59.9° |
| CA | CB | CG | HBC1 | 120.0° | 124.0° |
| CA | CB | CG | HBC2 | 119.7° | 121.3° |
| CA | CB | CG | CD | 172.1° | 176.0° |
| CB | CA | N | H | 80.1° | 64.7° |
| CA | CB | HBC1 | HBC2 | 119.7° | 116.2° |
| CA | CB | CG | HGC1 | 52.2° | 61.0° |
| CA | CB | CG | HGC2 | 68.9° | 55.6° |
| CB | CG | CD | HGC1 | 120.0° | 124.6° |
| CB | CG | CD | HGC2 | 119.0° | 121.7° |
| CB | CG | CD | OE1 | 164.7° | 4.5° |
| CB | CG | CD | OE2 | 14.3° | 176.0° |
| CG | CB | CA | HA | 54.0° | 176.1° |
| CG | CB | HBC1 | HBC2 | 119.7° | 115.6° |
| CB | CG | HGC1 | HGC2 | 119.0° | 119.1° |
| CG | CD | OE1 | OE2 | 179.0° | 179.4° |
| CD | CG | CB | HBC1 | 67.9° | 60.0° |
| CD | CG | CB | HBC2 | 52.4° | 54.7° |
| CD | CG | HGC1 | HGC2 | 119.0° | 114.8° |
| CG | CD | OE2 | HE2 | 179.0° | 179.4° |
| OE1 | CD | CG | HGC1 | 75.3° | 120.0° |
| OE1 | CD | CG | HGC2 | 45.8° | 126.3° |
| OE1 | CD | OE2 | HE2 | 0.0° | 0.1° |
| OE2 | CD | CG | HGC1 | 105.7° | 59.4° |
| OE2 | CD | CG | HGC2 | 133.3° | 54.3° |
| H28 | C28 | C29 | H29 | 1.9° | 0.1° |
| H26 | C26 | C25 | H25 | 0.3° | 0.1° |
| H19 | C19 | C18 | H18 | 0.0° | 0.1° |
| H14 | C14 | C13 | H13 | 0.2° | 0.0° |
| H | N | CA | HA | 160.6° | 175.4° |
| HA | CA | CB | HBC1 | 174.0° | 59.5° |
| HA | CA | CB | HBC2 | 65.7° | 55.3° |
| HBC1 | CB | CG | HGC1 | 172.1° | 63.0° |
| HBC1 | CB | CG | HGC2 | 51.1° | 179.6° |
| HBC2 | CB | CG | HGC1 | 67.5° | 177.7° |
| HBC2 | CB | CG | HGC2 | 171.4° | 65.7° |
