Project name: ba569d709534530

Status: done

Started: 2026-02-23 14:09:47
Settings
Chain sequence(s) A: FEFEFEGKGH
B: FEFEFEGKGH
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 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 all 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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:39)
Show buried residues

Minimal score value
-3.8794
Maximal score value
1.8456
Average score
-1.3596
Total score value
-27.1924

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
1 F A 1.8456
2 E A -0.5857
3 F A 0.9385
4 E A -1.3334
5 F A 0.1954
6 E A -2.6684
7 G A -2.5929
8 K A -3.8794
9 G A -2.8882
10 H A -2.2198
1 F B 1.7940
2 E B -0.7702
3 F B 0.2297
4 E B -1.6524
5 F B -0.0858
6 E B -2.7092
7 G B -2.3577
8 K B -3.7530
9 G B -2.4726
10 H B -2.2269
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Laboratory of Theory of Biopolymers 2018