Project name: 6e4cbb7662e15fe

Status: done

Started: 2025-12-11 04:29:18
Settings
Chain sequence(s) L: KGRMTYCPLPGYEPWD
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]                                                (00:00:00)
[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 L 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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)
Show buried residues

Minimal score value
-1.7962
Maximal score value
1.481
Average score
-0.1782
Total score value
-2.851

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
285 K L -1.7846
286 G L -1.1130
287 R L -1.7962
288 M L 0.3933
289 T L 0.3058
290 Y L 1.4364
291 C L 0.9519
292 P L 0.2995
293 L L 1.4810
294 P L -0.0645
295 G L -0.3854
296 Y L 0.2822
297 E L -1.7384
298 P L -0.3612
299 W L 0.8156
300 D L -1.5734
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Laboratory of Theory of Biopolymers 2018