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. Author manuscript; available in PMC: 2013 Mar 14.
Published in final edited form as: J Am Chem Soc. 2012 Mar 2;134(10):4842–4849. doi: 10.1021/ja211115q

Table 2.

Accessible volume within first and second solvation shell vs. bulk

System Protein [vol%] 1st shell (r≤4 Å) [%] 2nd shell (4 Å < r ≤ 7 Å) [%] Bulk (r >7 Å) [%]
PG1 10 22.4 14.4 63.3
PG2 14 31.7 20.4 47.9
PG3 20 44.0 24.6 31.5
PG4 30 65.6 26.7 7.7
PGVH1 12 28.1 16.3 55.6
PGVH2 17 37.7 19.1 43.3
PGVH3 25 53.4 22.2 24.5
PGVH4 37 76.2 19.6 4.2
PGVH5 43 86.4 13.0 0.6