Project name: 7a0e4734e6bf664

Status: done

Started: 2026-02-11 07:17:05
Settings
Chain sequence(s) A: GKGHKGH
C: GKGHKGH
B: GKGHKGH
D: GKGHKGH
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]                                                (00:00:01)
[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                                          (00:01:31)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:33)
Show buried residues

Minimal score value
-3.7909
Maximal score value
0.0
Average score
-2.9302
Total score value
-82.0465

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 -2.1371
2 K A -3.2296
3 G A -3.0068
4 H A -3.0940
5 K A -3.4131
6 G A -2.8873
7 H A -2.3776
1 G B -1.9944
2 K B -3.4191
3 G B -2.9446
4 H B -3.5864
5 K B -3.6318
6 G B -3.6523
7 H B -2.8164
1 G C -1.9179
2 K C -3.2537
3 G C -3.0394
4 H C -3.7492
5 K C -3.6892
6 G C -3.2830
7 H C -2.5163
1 G D -1.9896
2 K D -3.1320
3 G D -3.0742
4 H D -3.6021
5 K D -3.7909
6 G D 0.0000
7 H D -2.8185
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Laboratory of Theory of Biopolymers 2018