TABLE 6.

TCR-side attention analysis. Structural property comparisons between the large- and small-attention residue groups are shown. The p-adjusted column shows the adjusted p-value by the Benjamini–Hochberg (BH) procedure. The symbol “***” denotes the significant difference based on a false discovery rate (FDR) of 0.05 in the BH procedure; the symbol “**” indicates significance at an FDR value of 0.10; and the symbol “*” indicates an FDR value of 0.15. The numbers in the Large attention or Small attention columns are the average and standard deviation, respectively.

Property	Large attention a	Small attention a	p-value	p-adjusted
H-bonded to any peptide residue	0.0862 ± 0.1368	0.0805 ± 0.0675	0.828	0.9108
H-bonded to any CDR3 residue	0.4846 ± 0.2216	0.4103 ± 0.1040	0.0478	0.1315	*
H-bonded to any non-CDR3 TCR residue	0.2940 ± 0.1923	0.4672 ± 0.0846	3.88e-05	4.268e-04	***
H-bonded to any TCR residue	0.6845 ± 0.1650	0.7294 ± 0.0880	0.0987	0.2145
H-bonded to any CDR3 residue of its own chain	0.4643 ± 0.2180	0.3752 ± 0.0922	0.0107	0.05885	**
H-bonded to any TCR residue of its own chain	0.6013 ± 0.1999	0.6561 ± 0.0880	0.117	0.2145
H-bonded to any TCR residue of the opposite chain	0.1679 ± 0.1714	0.1497 ± 0.0793	0.562	0.7199
H-bonded to any CDR3 residue of the opposite chain	0.0306 ± 0.0857	0.0672 ± 0.0743	0.0369	0.1315	*
In the edge b	0.6434 ± 0.2064	0.5928 ± 0.0570	0.218	0.3426
Closest distance to the peptide (Å) c	8.4072 ± 2.2892	8.4122 ± 0.9592	0.988	0.988
Number of H-bonds formed c	2.0234 ± 0.9370	2.0875 ± 0.6685	0.589	0.7199

^a Mean and standard deviation (for the 39 structures) of the proportion of residues that satisfy the property shown in the first column.

^b Four residues from the beginning and four from the end of the CDR.

^c In the last two properties, per-residue averages were used instead.