Table 1 Energy analysis of interface mutations in TGFBR2-TGFB3 and BAX-BID complexes.

From: Genetic and functional characterization of disease associations explains comorbidity

Protein interaction

SNP

ΔGwildtype

ΔGSNP

ΔΔG

Hot-spot probability

TGFBR2-TGFB3

TGFBR2 I50V

−10.03

−7.34

2.69

0.9947

BAX-BID

BAX R65L

−16.75

−13.29

3.46

N/A*

BAX-BID

BAX G108V

−16.75

138.88

155.63

0.9999

BAX-BID

BID R84W

−16.75

−14.11

2.64

0.0526

BAX-BID

BID G94E

−16.75

36.02

52.77

0.9999

BAX-BID

BID L105P

−16.75

6.09

22.84

0.9864

  1. The first and second columns indicate the complex and the SNP affecting the interface. The next two columns show the ΔG calculated with Rosetta of the wild-type complex (ΔGwild-type) and the SNP mutant form (ΔGSNP). The third column shows the (ΔΔG = ΔGwild-type − ΔGSNP) –energies are represented in Rosetta units, which are approximately the same as kcal/mol. The fourth column show the probability calculated by PCRPi-Webserver. *Residue not considered by PCRPi-Webserver as part of the interface.
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