Table 1. Results for model generation of chikungunya virus (CHIKV) proteins (E3, Capsid, 6K, nsP1 and nsP4).
This table includes validation using various simulation scores for the best ranked models for structural and nonstructural proteins of CHIKV.
| TEMPLATE Details | BLAST Results | MODELLAR Results | ProSA Results | Ramachandran plot analysis | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| CHIKV
Proteins |
PDB IDs
of the Template |
Chain
ID |
Max
Score |
Total
Score |
Query
cover |
E-Value | Identity | molpdf | DOPE
Score |
GA341
Score |
RMSD
(Â) |
ProSA
Z-Score |
Favoured regions
(aa residues) (%) |
Allowed regions
(aa residues) (%) |
| nsP1 | 1FW5 | A | 39.7 | 39.7 | 3% | 2.00E-04 | 89% | 2441.80 | -16203.94 | 0.70 | 0.35 | 0.89 | 516/533 (96.8%) | 532/533 (99.8%) |
| nsP4 | Threading
and Looping |
- | - | - | - | - | - | - | - | - | 0.68 | 3.04 | 584/609 (95.9%) | 605/609 (99.3%) |
| Capsid | 3J2W | I | 315 | 315 | 57% | 2.00E-110 | 99% | 1253.26 | -17861.93 | 1.00 | 0.11 | -4.17 | 251/259 (96.9%) | 258/259 (99.6%) |
| 6K | Threading
and Looping |
- | - | - | - | - | - | - | - | - | 0.68 | -3.05 | 57/59 (96.6%) | 59/59 (100%) |