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Residue #  Domain  Pocket  Peptide binding  TCR contact 
5  1  A  X   
7  1  A, B  X   
9  1  B, C  X   
24  1  B  X   
25  1  B  X   
34  1  B  X   
45  1  B  X   
58  1      X 
59  1  A  X   
63  1  A, B  X   
65  1      X 
66  1  A, B  X  X 
67  1  B  X   
68  1      X 
69  1    X  X 
70  1  A, B, C  X   
72  1      X 
73  1  C  X   
74  1  C  X   
76  1    X   
77  1  F  X   
80  1  F  X   
81  1  F  X   
84  1  F  X   
97  2  C, E  X   
99  2  A, B, D  X   
114  2  D, E  X   
116  2  F  X   
123  2  F  X   
133  2  E     
143  2  F  X   
146  2  F  X   
147  2  E, F  X   
149  2      X 
150  2    X  X 
151  2      X 
152  2  E  X   
155  2    X  X 
156  2  D, E  X   
158  2      X 
159  2  A, D  X  X 
160  2  D  X   
162  2       
163  2  A  X  X 
166  2      X 
167  2  A  X  X 
170  2      X 
171  2  A  X   
Legend
Table 1 shows the assignment of residues to the α1 or α2 domains, to the peptide binding site,
specificity pockets, and to the contact region for the TCR. In the column "Peptide" those residues are indicated,
which are solventaccessible, and which thus potentially have contact with bound peptides. It corresponds to Table 14
of the study published Saper et al. In the column "Pocket" the assignment of residues to the respective pockets
is given according to Saper et al. Although that study contained no assignment for the residues 69, 76, 150, 155,
for HistoCheck these residues were nevertheless weighted as peptidebinding since they are potentially involved in
peptide binding due to their solvent accessibility.
Position 133 is located at the bottom of pocket E, and is conserved in HLAA, B and C (January 2003). Although having
been assigned to pocket E by Saper et al., this residue is not solventaccessible and thus has no contact with bound
peptides. Accordingly, for HistoCheck this position was not weighted as peptidebinding despite its assignment to pocket E.
The assignment to the contact region for the TCR is based on the study published by Garboczi et al.
In addition it must be noted that a residue may be assigned to several pockets, and at the same time also the contact
region for the TCR.
