Project name: GGKGHGG4

Status: done

Started: 2026-05-21 08:50:57
Settings
Chain sequence(s) A: GGKGHGG
C: GGKGHGG
B: GGKGHGG
D: GGKGHGG
input PDB
Selected Chain(s) A,C,B,D
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]                                                (00:00:00)
[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 all 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                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-4.1152
Maximal score value
-1.1681
Average score
-2.8383
Total score value
-79.4718

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 G A -2.7049
2 G A -3.7243
3 K A -3.9924
4 G A -3.8417
5 H A -2.9699
6 G A -2.6494
7 G A -1.1681
1 G B -1.6185
2 G B -2.5381
3 K B -3.3308
4 G B -2.7197
5 H B -2.4559
6 G B -2.1695
7 G B -1.3955
1 G C -2.4596
2 G C -3.4217
3 K C -4.1152
4 G C -3.5520
5 H C -3.2675
6 G C -2.8357
7 G C -1.6267
1 G D -1.7741
2 G D -2.3965
3 K D -3.6304
4 G D -3.8990
5 H D -3.4453
6 G D -3.0532
7 G D -2.7162
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Laboratory of Theory of Biopolymers 2018