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Briefly, best-match analysis was performed based on MIRU-VNTR typing combined with spoligotyping, using a distance cut-off of 0.17, followed by tree-based analysis based on 24 MIRU-VNTR loci to maximize and further support predictions.
The 56 sequences from the three samples were classified into 15 OTUs using a distance cut-off of 3% (Fig. 4).
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Third, IBIS uses a distance cut-off of 4 Å from the ligand to define binding residues.
We used a distance cut-off of 9 Angstroms for the 3-body contacts, in order to capture all the relevant surface features of the protein.
The hydrogen bond interactions among pairs of amino acid residues were computed from the MD trajectory using UCSF Chimera based on a distance cut-off ≤ 3.2 Å and visualized using Cytoscape.
An analysis of the hydrogen bond network was carried out for each complex using VMD (Humphrey et al. 1996) with a distance cut-off of 3.5 Å and a minimal occupancy of 5%.
A distance cut-off of two meters was used in previous contact studies [ 30, 38], and it corresponds well with theoretical work on droplet travel distances [ 40].
To select a group with increased distance values, we need to identify a distance cut-off.
Hydrogen bond analysis was carried out using the ptraj module of Amber9 with a distance cut off of 3Å and an angle cut off of 120.0 degrees.
AOA AmoA protein sequences were classified into nine OTUs using 3% distance cut-off.
Our simulation studies have shown the Cα-H.O hydrogen bonds between these TM helices using a Cα-acceptor distance cut-off 3.5 Å (Figure 4D and 4E arrows).
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