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. 2009 Jan 9;4(1):e4164. doi: 10.1371/journal.pone.0004164

Table 1. Amino acids defining each pocket and peptide sequence considered in the electrostatic analysis.

Pocket 1 α-Chain I7 F24 D25 F26 F32 H33 W43 A52 S53 F54 E55
β−Chain H81 Y83 G84 V85 V86 F89 T90 V91
Peptide E85 N86 P87 V88 X89 H90
Pocket 4 α-Chain Q9 A10 E11 F24 D25 D27 N62
β−Chain R13 E14 C15 R25 F26 L27 D28 F40 Q70 A71 R72 A73 A74 Y78 C79
Peptide F91 X92 K93
Pocket 7 α-Chain V65 D66 K67 N69
β−Chain P11 R13 Y30 D28 V38 F47 W61 Q64 I67 A71
Peptide N94 X95 V96
Pocket 9 α-Chain D66 A68 N69 L70 E71 I72 M73 R76
β−Chain W9 R29 Y30 S37 V38 D57 E59 Y60 W61
Peptide V96 X97 P98 R99

The amino acids in the α and β chains are shown for each pocket. The underlined amino acid corresponds to the occupying amino acid while bold-type amino acids were added to the system whenever necessary for assuring the neutral charge of the system for computational reasons.