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. 2012 Nov 12;7(11):e48632. doi: 10.1371/journal.pone.0048632

Table 3. Calculated HINT characteristics of the water molecules in the binding site water array [42].

Monomer Name TOTAL for water* Probability Weighting Relevance Prediction
Rank Score Relevance Rank Score Rank Score
HOH1 1.863 44.1 0.357 0.504 0.297 −0.064 −0.658 non-conserved
HOH2 2.058 57.0 0.390 0.551 0.320 0.103 −0.658 non-conserved
HOH3 0.902 −74.2 0.174 0.244 0.072 −1.000 −0.658 non-conserved
HOH4 0.000 −79.5 −0.040 −0.040 0.061 −21.136 −0.658 non-conserved
Mean 1.206 −13.2 0.221
*

Total Rank, HINT score and Relevance for water with respect to the protein.

The Probabilities and Weightings are components of the empirical Bayesian-like Relevance equation – see reference 40.

The Relevance model is built on the premise [41] that Relevance ≥0.50 represents the characteristics of a highly conserved water.