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Table 9 Interaction results of β-defensin 1 against cystalysin and dentilisin of T. denticola

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
15 927 − 40.846 3 Thr274, Trp275 of cystalysin with Tyr28 of β-defensin 1 (5.721 Å, 5.886 Å)
Leu62 of cystalysin with Tyr14 of β-defensin 1 (4.978 Å) Ser269 of cystalysin with Ser15
of β-defensin 1 (3.713 Å)
151
10 820 − 41.028 3 Asp 439 of dentilisin with Tyr14 of β-defensin 1 (4.159 Å)
Tyr440 of dentilisin with Tyr14 of β-defensin 1 (2.460 Å)
Pro169 of dentilisin with Arg29 of β-defensin 1 (4.625 Å)
205