Mean bound water environment summary per percent conservation
Logical indicator to plot results for waters passing
The title for the plot
Constructs a series of scatterplots illustrating the relationship between mobility and normalized B-values and (i) percent water conservation, (ii) mean distance between waters in a cluster, and (iii) mean distance between waters in a cluster and the cluster's centroid. The dots are colored based on water cluster "percent conservation":
light grey dots: less than 50% conservation
dark red dots: 50% to 69% conservations
red dots: 70% to 79% conservation
light blue dots: 80% to 89% conservation
blue dots: 90% to 99% conservation
dark blue dots: 100% conservation (all structures contribute to the water cluster).
The mean distance plots will have a column of dots at a distance of 0.0 if there are clusters composed of a single water molecule. Thus, these clusters have a zero distance between and to other waters in their cluster because there are no other waters in their cluster.
This plot was inspired by Figure 2 of Ogata and Wodak (2002).
Emilio Xavier Esposito emilio@exeResearch.com
Koji Ogata and Shoshana J Wodak. Conserved water molecules in MHC class-I molecules and their putative structural and functional roles. Protein Engineering, 2002, 15 (8), pp 697-705. DOI: 10.1093/protein/15.8.697 PMID: 12364585
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