Table 2.

Proteins studied with their PDB codes.

Protein	PDB Code	Class	% β‐strands	% β‐turns	% α‐helix	310 ‐ helices	% Coil	No. solvent molecules
α‐Lactalbumin	1ALC	α + β	7	30	30	14	19	8053
Carbonmonoxy‐Myoglobin	1MBC	α	0	7	74	4	15	6860
Concanavalin A	3CNA	β	42	44	0	0	14	11227
Egg White Lysozyme	2LYM	α + β	6	40	30	10	14	8412
β‐Trypsinogen	2PTN	α + β	32	44	8	3	13	7641
Carboxypeptidase A	5CPA	α + β	16	30	35	2	17	10862
Ribonuclease A	7RSA	α + β	27	24	18	3	28	6379
Ubiquitin	1UBQ	α + β	32	28	16	8	16	5978
Flavodoxin	5NLL	α + β	21	19	37	4	19	6782

Their secondary structure content computed using PROMOTIF.92 The number of water molecules used in the MD simulations is provided.