Figure 4 | Scientific Reports

Figure 4

From: Classification and prediction of protein–protein interaction interface using machine learning algorithm

Figure 4

Prediction of probable interaction surface. (A,B) The frequency of the probability threshold scores within the FNAT (A) and iRMSD (B) based top ranked solutions in comparison with same derived from PatchDock based top ranked solutions. (C) Box plot representation of the binding energy of the protein–protein interaction interface (represented via ΔG) of the 12 docked complexes that were commonly predicted by both FNAT and iRMSD models with highest reliability (probability threshold ≥ 0.95) along with the same obtained from the known 3D structures of the heterodimer complexes. ΔGs of the three representative complexes of GAPDH-PGK, GAPDH-ENO1, and GAPDH-TIM are also plotted. (D,F) show the 3D cartoon representations of the complexes where GAPDH is shown in cyan and the PGK1, ENO1, and TIM are shown in purple, orange, and blue, respectively.

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