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Table 6 Parameters of native and mutant structure after energy minimization

From: A comprehensive in silico analysis of non-synonymous and regulatory SNPs of human MBL2 gene

Parameters

Native amino acid structure

Variant amino acid structure

Total energy (KJ/mol)

−5854.403

−5852.157

Total electrostatic constraint

−6399.19

−4496.11

Total bond energy (KJ/mol)

1833.712

1834.508

Torsion (KJ/mol)

2475.780

2485.522

Non-bonded energy (KJ/mol)

−6399.19

−6385.21