Fig 1.
Graphic illustration of bioinformatic tools used for the precise identification of the most deleterious nsSNPs of HBA1 gene.
Fig 2.
Prediction matching to the highly pathogenic nsSNPs of HBA1 gene.
The 2 highly pathogenic nsSNPs are having the scores: Polyphen >0.9; Panther >0.55; SNPs&Go >0.8; SIFT = 0; PROVEAN < -8; mCSM < -0.1; SNAP2 >65.
Table 1.
Cumulative prediction of possible deleterious nsSNPs.
Fig 3.
A: Comparing the secondary structure of the mutated and native HBA1 protein. B: Ramachandran plot of constructed HBA1 protein. Most of the amino acid residues were in the most favored region. C: Protein binding regions in the secondary structure of HBA1 protein. D: States of the secondary structure. E: Eight class Secondary structure of HBA1 protein by RaptorX.
Table 2.
Total energy and RMSD of deleterious nsSNPs.
Table 3.
Molecular dynamic simulation of native and mutant HBA1.
Fig 4.
Super imposed 3D structures of the native and highly deleterious mutated HBA1 proteins.
Table 4.
Comparing the helix, protein binding, Disordered region and exposed/buried residues.