. 2015 Jan 6;108(1):133–145. doi: 10.1016/j.bpj.2014.11.012

Table 1.

3D-RISM analysis

Pressure	Partial molar volume		Water occupancy		Excess translational entropy
	2B6Y	2B6X	2B6Y	2B6X	2B6Y	2B6X
	Å³	Å³	^a	^a	J/mol K	J/mol K
0.1 MPa	21310	21272	3.37	3.41	−42.8	−42.9
100 MPa	21141	21141	3.60	3.58	−46.0	−46.2
200 MPa	21062	20988	3.84	3.71	−49.5	−48.4
300 MPa	20865	20824	3.79	3.82	−50.1	−51.1

Number of water molecules equivalent to the water occupancy in the hydrophobic cavity.