Table 1.
Localization and ChemPLP values showed between RO8191 and CHIKV proteins by molecular docking calculations.
| ChemPLP | Coordinates (x, y, z) | Volume (Å3) | Localization | ||
| Glycoproteins | Site 1 | 50.41 | −15.687, 2.019, −19.939 | 651.375 | Between II domain of E1 and C of E2. |
| Site 2 | 57.12 | −33.937, −18.731, −31.939 | 357.375 | Between II domain of E1 and beta-sheet of E2. | |
| Site 3 | 47.37 | −33.437, −6.731, −33.189 | 156.125 | Adjacent to site 2. | |
| Site 4 | 45.26 | −42.937, −28.731, −22.939 | 183.875 | Behind the fusion loop, between B domain of E3, and E2 domain B, and A domain of E2. | |
| Site 5 | −34.73 | −44.437, −14.731, −23.439 | 124 | Between beta-sheet of E2 and of E3. | |
| Site 6 | * | −16.187, −18.231, −36.439 | 20.5 | Inside the E3 cavity. | |
| Site 7 | 10.30 | −59.187, −15.731,−26.189 | 22.5 | Replacing the furin loop. | |
| nsP1 | 50.11 | Catalytic amino acid H37 | |||
| nsP2 | 35.26 | Catalytic amino acid H548 | |||
| nsP3 | 65.04 | ADP-ribose | |||
| nsP4 | 65.17 | Amino acid site ASP466 | |||
*There was no result on docking. Parameter based on Rashad and Keller (2013).