Project name: 6eccd0eeae5d514

Status: done

Started: 2026-01-28 10:57:08
Settings
Chain sequence(s) L: KLPGYGPLED
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)
Show buried residues

Minimal score value
-2.0959
Maximal score value
1.1834
Average score
-0.286
Total score value
-2.8595

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
0 K L -1.4998
1 L L 1.1764
2 P L -0.1973
3 G L -0.4793
4 Y L 1.1159
5 G L -0.1753
6 P L -0.0909
7 L L 1.1834
8 E L -1.7967
9 D L -2.0959
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Laboratory of Theory of Biopolymers 2018