Table 4.

Average number of hydrogen bonds. Values were calculated according to two different geometric criteria. (a) Criterion 1: distance between donor and acceptor within 3Å and the angle spanned by the donor-hydrogen-acceptor less than 60° (a value of 180° corresponds to fully planar). (b) Criterion 2: distance between donor and acceptor is within 3.5Å and the donor-hydrogen-acceptor angle is less than 30°⁴⁵.

Simulation	Distance from Backbone	Average hydrogen bonds per Water Molecule	Average water-water hydrogen bonds per Water Molecule	Average water- TMAO hydrogen bonds per TMAO	Average number of peptide-water hydrogen bonds
Water Solution	<4Å	2.7	2.4	-	40.1
	4 – 8Å	2.7	2.7	-	-
	8 – 12Å	2.7	2.7	-	-
TMAO Solution	<4Å	2.7	2.3	1.7	36.7
	4 – 8Å	2.7	2.6	2.0	-
	8 – 12Å	2.7	2.6	2.0	-
a.

Simulation	Distance from Backbone	Average hydrogen bonds per Water Molecule	Average water-water hydrogen bonds per Water Molecule	Average water- TMAO hydrogen bonds per TMAO	Average number of peptide-water hydrogen bonds
Water Solution	<4Å	2.5	2.2	-	29.0
	4 – 8Å	2.5	2.5	-	-
	8 – 12Å	2.5	2.5	-	-
TMAO Solution	<4Å	2.5	2.1	1.8	27.3
	4 – 8Å	2.5	2.4	2.1	-
	8 – 12Å	2.5	2.4	2.1	-
b.