Project name: FEFEFEGSKGH2

Status: done

Started: 2026-02-10 04:37:24
Settings
Chain sequence(s) A: FEFEFEGSKGH
B: FEFEFEGSKGH
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                                          (00:00:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-3.4938
Maximal score value
1.7466
Average score
-1.5438
Total score value
-33.9631

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 1.7466
2 E A -0.0625
3 F A 1.3183
4 E A -0.9273
5 F A 0.3751
6 E A -2.0235
7 G A -2.6816
8 S A -2.9951
9 K A -3.4938
10 G A -2.5064
11 H A -2.1925
1 F B 1.1515
2 E B -1.2309
3 F B -0.5431
4 E B -2.3406
5 F B -1.1892
6 E B -3.2502
7 G B -2.3921
8 S B -3.0036
9 K B -3.4707
10 G B -2.3780
11 H B -1.8735
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Laboratory of Theory of Biopolymers 2018