Project name: 4b5631ac62a3bfc

Status: done

Started: 2026-01-15 12:12:54
Settings
Chain sequence(s) A: EKLPLRENKRVPLTALLNQSRGERRGPPSDGH
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)
Show buried residues

Minimal score value
-4.1296
Maximal score value
2.2222
Average score
-1.4116
Total score value
-45.1712

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
321 E A -1.9766
322 K A -1.6768
323 L A 0.2126
324 P A -0.2754
325 L A -0.2377
326 R A -2.4481
327 E A -3.6895
328 N A -3.5162
329 K A -3.4894
330 R A -2.3025
331 V A 0.4888
332 P A 0.8013
333 L A 2.2222
334 T A 1.5274
335 A A 1.3976
336 L A 2.0026
337 L A 1.3477
338 N A -1.1158
339 Q A -1.6612
340 S A -2.0504
341 R A -3.1593
342 G A -3.0190
343 E A -3.9336
344 R A -4.1296
345 R A -3.4691
346 G A -2.1895
347 P A -1.4358
348 P A -1.4721
349 S A -1.6886
350 D A -2.4962
351 G A -1.9130
352 H A -1.8260
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Laboratory of Theory of Biopolymers 2018