Binding-Score and Interface Hydrogen-Bond Review of a Predicted Protein Complex
Graphical abstract
Summary
This case reviews a predicted protein-complex working model by integrating a model-derived score, the three-dimensional interface and a two-dimensional hydrogen-bond network. The graphical abstract aligns the overall assembly, interface contact regions and key hydrogen-bond positions. Together, these results connect the score with structural geometry and establish a representative conformation for interface refinement and subsequent dynamic review.
Computational results
Results
Figure 1. Binding mode of the Target A–Target B complex. Target A is shown in rose, Target B in blue, and yellow dashed lines indicate hydrogen bonds.
The three-dimensional complex and two-dimensional interface map jointly present protein assembly, major contact regions and the key hydrogen-bond network.
Full case PDF
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