Project name: FFGHKGG4

Status: done

Started: 2026-05-21 13:57:33
Settings
Chain sequence(s) A: FFGHKGG
C: FFGHKGG
B: FFGHKGG
D: FFGHKGG
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                                          (00:01:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:05)
Show buried residues

Minimal score value
-3.2111
Maximal score value
6.4281
Average score
0.3258
Total score value
9.121

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 4.1528
2 F A 2.1403
3 G A -0.4173
4 H A -1.9886
5 K A -3.2111
6 G A -2.2935
7 G A -1.8770
1 F B 5.9126
2 F B 3.1523
3 G B 0.5825
4 H B -0.7683
5 K B -2.7820
6 G B 0.0000
7 G B -2.1650
1 F C 6.4281
2 F C 5.1646
3 G C 1.9910
4 H C -1.4100
5 K C -2.5290
6 G C -2.3945
7 G C -1.9052
1 F D 6.3386
2 F D 4.5191
3 G D 0.4250
4 H D -1.6086
5 K D -2.6097
6 G D -2.0000
7 G D -1.7261
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Laboratory of Theory of Biopolymers 2018