Table 2. Hot spot list from PAS-A dimer models, with related scores from the PPI prediction tools herein adopted.
PASA.4F3L | PASA.4M4X | ||||||
---|---|---|---|---|---|---|---|
Residue | Robetta | HotPoint | KFC2-A | Residue | Robetta | HotPoint | KFC2-A |
AhR:L116 | 1.26 | 26.53 | 0.73 | AhR:L110 | 0.51 | 32.94 | -0.34 |
AhR:L117 | 0.68 | 39.46 | 0.01 | AhR:E112 | 0.72 | 9.65 | 0.19 |
AhR:A119 | 0.00 | 12.33 | 0.10 | AhR:F115 | 2.53 | 17.12 | -0.30 |
AhR:L120 | 1.97 | 39.34 | 1.35 | AhR:L116 | 2.41 | 28.67 | 0.71 |
AhR:R236 | 0.38 | 16.35 | 0.14 | AhR:L117 | 0.44 | 41.45 | 0.80 |
AhR:F260 | 0.48 | 25.43 | 0.03 | AhR:L120 | 1.40 | 33.14 | -0.01 |
AhR:I262 | 0.95 | 43.23 | 1.13 | AhR:V124 | 0.53 | 38.39 | 0.17 |
ARNT:L159 | 0.81 | 37.38 | -1.12 | AhR:L240 | na | 28.51 | -2.25 |
ARNT:E163 | -0.45 | 11.28 | 0.74 | AhR:F260 | 2.21 | 27.04 | 1.20 |
ARNT:L164 | 0.52 | 24.70 | -0.51 | AhR:I262 | 0.54 | 25.90 | -1.48 |
ARNT:L167 | 1.89 | 38.70 | 1.13 | ARNT:D161 | -0.05 | 13.08 | 0.54 |
ARNT:I168 | 0.81 | 39.90 | 0.54 | ARNT:L164 | 0.85 | 16.13 | 0.38 |
ARNT:A171 | 0.00 | 25.54 | -0.07 | ARNT:I168 | 2.18 | 23.52 | 0.81 |
ARNT:L176 | 0.26 | 29.65 | -1.90 | ARNT:L169 | 0.73 | 38.99 | -0.01 |
ARNT:Y311 | 2.33 | 14.40 | -0.34 | ARNT:L176 | 0.48 | 48.69 | -0.99 |
ARNT:I340 | 0.98 | 30.43 | 0.42 | ARNT:V338 | 0.54 | 28.24 | -0.44 |
ARNT:A339 | na | 22.49 | -1.02 | ||||
ARNT:I340 | 0.92 | 25.74 | -0.80 |
na: residue not predicted as hot spot for the specific method
Residues highlighted in bold mostly contribute to the dimer stabilization according to the scores proposed by all methods