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Table 8 Interaction results of β-defensin 1 with BspA, karilysin, and mirolysin of T. forsythia

From: In silico targeting of red complex bacteria virulence factors of periodontitis with β-defensin 1

No. of interface residues Interface area (A0) Binding energy Kcal/mol No of hydrogen bonds Interacting residues and bond length No. of non-bonded contacts
9 706 − 40.146 1 Lys133 of BspA with Tyr28 of β-defensin 1 (4.907 Å) 169
9 706 − 31.705 1 Lys132 of karilysin with Tyr28 of β-defensin 1 (5.416 Å) 124
11 525 − 30.602 3 Asp239 of mirolysin with Tyr14 of β-defensin 1 (4.994 Å)
Tyr258 of mirolysin with Cyx12 of β-defensin 1 (5.918 Å)
Gly240 of mirolysin with Ser15 of β-defensin 1 (3.709 Å)
108