Relative accessibilities are computed starting from the absolute accessibilities provided by DSSP (Kabsch and Sander, 1983).
The relative solvent accessibility (RSA) of the residue X is calculated through dividing the absolute accessible surface area by the maximum solvent accessibility which uses Gly-X-Gly extended tripeptides [ 56].
The structure-based multiple sequence alignments were obtained from DHS [18] (Figure S3) and the absolute solvent accessibility (ASA) factors from DSSP/CATH-wolf [21] were obtained for the amino acids of all 8,698 domains.
The correlation between dN/dS and absolute solvent accessibility (r = +0.46, p = 0.21) is similar to but slightly weaker than that between dN/dS and flux sensitivity.
The absolute solvent accessibility of a site is computed by rolling a 1.4 Å sphere, simulating a water molecule, over the residue's molecular surface.
Features considered by D iscern include evolutionary measures of positional conservation, relative and absolute solvent accessibility, presence in a cleft or pocket, secondary structure, polarity, charge and so on.
Using this programme, amino acids 22 and 181 were most likely located in alpha-helixes and amino acid 226 was most probably part of a beta-strand; all three amino acids were predicted to have low relative and absolute surface accessibility.
The relative solvent accessibilities (RSA) values in Figure 5 and Figure 10 were calculated by first determining the absolute solvent accessibilities of the residues in the full trimeric HA in PDB 1RVX with the DSSP (Joosten et al., 2011) webserver at http://www.cmbi.ru.nl/hsspsoap/, and then normalizing by the maximum solvent accessibilities given by Tien et al. (2013).
Absolute values of accessibility within the core − 700 bp hypersensitive site were constitutively high in both strains, giving a lower ratio than in adjacent regions.
But still, the small absolute differences in accessibility between the practices (e.g. the difference in telephone waiting times was only one minute) had an effect on the use of out-of-hours acute care.
