Project name: cd4482115080ca0

Status: done

Started: 2025-12-07 14:11:37
Settings
Chain sequence(s) L: KWFIPNGVLAETYLKD
input PDB
Selected Chain(s) L
Distance of aggregation 5 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 L 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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)
Show buried residues

Minimal score value
-2.3174
Maximal score value
2.2569
Average score
0.1672
Total score value
2.676

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
287 K L -1.7153
288 W L 1.1296
289 F L 1.9743
290 I L 2.2569
291 P L 0.0703
292 N L -1.3687
293 G L -0.3715
294 V L 1.7747
295 L L 1.8699
296 A L -0.0377
297 E L -1.6440
298 T L -0.1543
299 Y L 1.5671
300 L L 1.3897
301 K L -1.7476
302 D L -2.3174
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Laboratory of Theory of Biopolymers 2018