Table 2. Comparison of the buried surface area per S100B residue at the interface with the W61 and TRTK-12 peptides.

The total buried surface area for W61 was 913.6 ² and that for TRTK-12 was 1084.3 ². The value given is the percentage of the residue that is buried.

S100B residue	W61	TRTK-12 (PDB entry 3iqq)
Ile36	1.34	2.77
Ser41	17.55	11.35
His42	32.71	32.24
Phe43	23.13	42.94
Leu44	54.09	62.95
Glu45	81.39†	61.48
Glu46	0.29	2.09
Val52	36.43	21.08
Val56	35.33	29.80
Thr59	45.59	27.83
Leu60	1.01	0.00
Phe76	10.94	11.63
Met79	61.70	42.10
Val80	6.85	11.23
Ala83	16.71†	53.22
Cys84	0.00	13.90
Glu86	0.00†	21.48
Phe87	0.00	26.36

^†Residue side chains not defined by electron density and modelled according to best-fit rotamers.