Peptides Trapping Dioxins: A Docking-Based Inverse Screening Approach

Table 2

Structural analysis of the top (T, bold) and bottom (B, regular) 50 ranked hexapeptides. P: position in sequence, %: amino acid occurrences percentage in top or bottom hexapeptides.

Amino acids	P1		P2		P3		P4		P5		P6		Total
	%		%		%		%		%		%		%
	T	B	T	B	T	B	T	B	T	B	T	B	T	B
A	8	4	0	0	0	0	0	0	0	0	0	0	1	1
C	8	6	0	0	0	0	0	0	0	0	0	2	1	1
D	6	4	14	2	0	0	0	0	0	0	0	2	3	1
E	10	2	0	0	0	0	0	0	0	0	0	2	2	1
F	2	0	4	26	96	74	0	0	2	18	6	6	18	21
G	6	4	0	0	0	0	0	0	0	0	0	2	1	1
H	2	2	0	0	0	0	0	0	0	0	0	0	0	0
I	2	4	0	0	0	0	0	0	0	0	0	2	0	1
K	2	8	0	0	0	0	0	0	0	0	0	2	0	2
L	2	10	0	0	0	0	0	0	0	0	0	2	0	2
M	4	4	0	0	0	0	0	0	0	0	0	2	1	1
N	12	22	18	6	0	0	0	0	0	0	2	2	5	5
P	8	0	0	0	0	0	0	4	96	12	0	0	17	3
Q	4	4	14	2	4	26	96	74	0	0	0	0	20	18
R	6	4	0	0	0	0	0	0	0	0	2	0	1	1
S	8	6	0	28	0	0	0	0	0	0	0	2	1	6
T	6	8	0	30	0	0	0	0	0	0	0	2	1	7
V	2	4	0	0	0	0	0	0	0	0	0	2	0	1
W	2	0	50	6	0	0	4	4	2	66	80	64	23	23
Y	0	4	0	0	0	0	0	18	0	4	10	6	2	5