. 2005 May 20;89(2):842–857. doi: 10.1529/biophysj.105.061978

TABLE 5.

Solvation number around different parts of the peptide

	Water PEPT^*	Urea PEPT^*	Water POL^†	Urea POL^†	Water NPOL^‡	Urea NPOL^‡	U/W^§ PEPT^*	U/W^§ POL^†	U/W^§ NPOL^†	U/W^§ TOT	Δ^¶PEP^*	Δ^¶POL^†	Δ^¶NPOL^†
Cpep⁺ 277 K	127.3		68.8		115.9
Mut⁺ 277 K	132.9		80.7		114.8
Cpep⁺ 300 K	127.4		70.2		114.5
Cpep⁰ 300 K	121.5		72.7		105.5
Mut⁺ 300 K	129.6		77.7		112.4
Mut⁰ 300 K	126.2		75.6		110.1
Cpep⁺ 8 M	90.0	25.4	49.1	15.9	82.5	23.6	0.28	0.32	0.29	0.23	24	43	26
Cpep⁰ 8 M	80.0	24.9	47.5	17.7	70.0	21.9	0.31	0.37	0.31	0.21	49	79	50
Mut⁺ 8 M	94.8	29.7	56.1	20.4	82.4	26.0	0.31	0.36	0.32	0.23	38	60	39
Mut⁰ 8 M	86.4	22.8	50.9	15.8	75.7	20.2	0.26	0.31	0.27	0.21	27	49	28

Number of solvent molecules within 3.5 Å of the whole peptide.

^†

Number of solvent molecules within 3.5 Å of the polar peptide atoms.

^‡

Number of solvent molecules within 3.5 Å of the apolar peptide atoms.

^§

Denotes the ratio of urea to water molecules.

^¶

Increment in % of the fraction U/W respect to the bulk (U/W TOT).