Stability and Binding Trends of Protein Complexes Before and After Modification
Graphical abstract
Summary
Matched models compare how an modification may alter local contacts, collective motion and approximate binding trends. The graphical abstract integrates interface poses, dynamic changes and local contributions across the complex states. The results establish clear priorities for representative models and key interface regions. The result-focused presentation supports efficient review of the main evidence and research priorities.
Computational results
Computational Results
Figure 1 Structural diagram of the Target Bcomplex system, with green for Target D and purple for Target C
This figure presents the principal structures and trends in “Computational Results” and connects them to the case-level ranking and result interpretation.
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| Interaction_types | Target A | Target D/B | Distances(Å) | Angles | Details |
|---|---|---|---|---|---|
| Hbonds | K4 | D319 | 1.81 | 172.6 | NZ-OD1(173°) |
| Hbonds | R9 | D389 | 2.52 | 132.3 | NH1-OD1(132°) |
| Hbonds | R9 | D389 | 1.96 | 170.2 | NH1-OD2(170°) |
| Hbonds | R9 | D389 | 1.81 | 170.3 | NH2-OD1(170°) |
| Hbonds | N15 | D389 | 2.29 | 165.6 | ND2-OD1(166°) |
| Hbonds | N15 | D389 | 2.18 | 128.2 | ND2-OD2(128°) |
| Hbonds | K30 | D409 | 2.69 | 121.6 | NZ-OD2(122°) |
| Hbonds | N238 | A392 | 2.37 | 122.2 | ND2-O(122°) |
| Hbonds | N238 | I393 | 2.59 | 138.3 | ND2-O(138°) |
| Hbonds | N251 | D319 | 2.25 | 148.5 | ND2-OD2(149°) |
| Hbonds | R252 | D333 | 1.96 | 146.9 | NE-OD2(147°) |
| Hbonds | R254 | D319 | 2.06 | 150.5 | NH1-OD2(151°) |
| Hbonds | R254 | D322 | 2.3 | 177.8 | NH1-OD2(178°) |
| Hbonds | Q255 | D319 | 2.62 | 120.1 | NE2-OD1(120°) |
| Hbonds | Q255 | D319 | 1.94 | 168 | NE2-OD2(168°) |
| Hbonds | Q255 | T321 | 2.11 | 136.6 | NE2-OG1(137°) |
| Hbonds | E264 | E292 | 2.43 | 162.5 | N-OE1(162°) |
| Hbonds | E264 | E292 | 2.18 | 141.1 | N-OE2(141°) |
| Hbonds | T259 | V282 | 1.9 | 166 | N-OG1(166°) |
| Salt_bridges | K4 | D319 | 3.89 | LYS-ASP | |
| Salt_bridges | R252 | D333 | 3.59 | ARG-ASP | |
| Salt_bridges | K30 | D409 | 4.22 | LYS-ASP | |
| Salt_bridges | R9 | D389 | 3.56 | ARG-ASP | |
| Salt_bridges | K260 | E292 | 4.3 | LYS-GLU |
This table consolidates the key comparisons in “Computational Results”, making differences across conditions and candidates directly reviewable.
Figure 2 The Structural Graph of the Target B_γ-Succinylation Complex System, where green is for Target D, pink is for target C, blue is for goal A (γ), and yellow is for hydrogen bonds, and red is for salt bridges.
This figure presents the principal structures and trends in “Computational Results” and connects them to the case-level ranking and result interpretation.
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