Project name: 6b16b266315c33

Status: done

Started: 2026-02-08 15:56:05
Settings
Chain sequence(s) L: KLVTRGYPYALNIYD
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.9221
Maximal score value
2.0354
Average score
0.1052
Total score value
1.5784

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 -1.4198
1 L L 1.5558
2 V L 2.0354
3 T L -0.2360
4 R L -1.9221
5 G L -0.7383
6 Y L -0.1143
7 P L 0.0254
8 Y L 1.2718
9 A L 0.0936
10 L L -0.0346
11 N L -0.5554
12 I L 1.9513
13 Y L 1.1804
14 D L -1.5148
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Laboratory of Theory of Biopolymers 2018