Project name: 9757434e31bbd8 [mutate: GD335A]

Status: done

Started: 2026-06-04 01:02:39
Settings
Chain sequence(s) A: MNFGAFSINPAMMAAAQAALQSSWGMMGMLASQQNQSGPSGNNQNQGNMQ
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues GD335A
Energy difference between WT (input) and mutated protein (by FoldX) 3.38986 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:10)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-3.5898
Maximal score value
2.3787
Average score
-0.416
Total score value
-20.7976

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
311 M A 0.8354
312 N A 0.0873
313 F A 1.5762
314 G A 1.1795
315 A A 1.4286
316 F A 2.3787
317 S A 1.5757
318 I A 1.7520
319 N A -0.0234
320 P A 0.1887
321 A A 0.5136
322 M A 1.1834
323 M A 1.0231
324 A A 0.5737
325 A A 0.6202
326 A A 0.6558
327 Q A 0.2127
328 A A 0.1545
329 A A 0.3162
330 L A 0.8386
331 Q A -0.1217
332 S A 0.0876
333 S A 0.3833
334 W A 0.9741
335 D A 0.1401 mutated: GD335A
336 M A 1.2294
337 M A 1.3289
338 G A 0.4703
339 M A 0.7759
340 L A 0.2327
341 A A -0.5688
342 S A -0.9404
343 Q A -1.9950
344 Q A -2.8134
345 N A -2.7223
346 Q A -2.5992
347 S A -2.2645
348 G A -1.6497
349 P A -1.4870
350 S A -1.3416
351 G A -2.2234
352 N A -3.1851
353 N A -3.0938
354 Q A -3.5898
355 N A -3.1841
356 Q A -3.0762
357 G A -2.6547
358 N A -2.1556
359 M A -0.4648
360 Q A -1.3593
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018