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Fig. 3.
Superimposed H2-D
b
peptide molecules placed within 3D grid lattice.
Table 6.
Class I Additive-PLS Method results for CoMSIA method.
Epitope
n
LOO
Non-cross Validation
Grid dimensions (Å)
q
2
r
2
SEP
NC
SEE
Size
Spacing
A*0201
236
0.443
0.683
7
0.260
0.891
22x15x15
2.0
A*0202
63
0.509
0.534
8
0.190
0.935
22x15x15
3.0
A*0203
60
0.595
0.621
6
0.179
0.966
22x15x15
3.0
A*0206
54
0.505
0.523
12
0.071
0.991
22x15x15
2.0
A*0301
69
0.629
0.486
6
0.177
0.959
22x15x15
2.0
A*1101
59
0.588
0.496
8
0.141
0.972
22x15x15
2.0
A*3101
30
0.551
0.700
4
0.282
0.921
22x15x15
1.5
A*6801
39
0.674
0.430
5
0.119
0.950
22x15x15
2.0
A*6802
45
0.652
0.385
4
0.197
0.944
22x15x15
2.0
H2-K
k
154
0.525
0.611
6
0.248
0.913
18x13x12
2.0
H2-K
b
62
0.889
0.490
6
0.244
0.962
19x13x11
2.0
H2-D
b
65
0.783
0.518
4
0.411
0.867
18x14x11
2.0
a
Number of epitopes;
b
Standard Error of Prediction;
c
Obtained after Leave-One-Out Cross-
Validation;
d
Number of components;
e
Standard Error of Estimate;
f
Grid steps of 0.5Å.
