Project name: FFKGHFG4

Status: done

Started: 2026-02-13 12:27:50
Settings
Chain sequence(s) A: FFKGHFG
C: FFKGHFG
B: FFKGHFG
D: FFKGHFG
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                                          (00:00:48)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:49)
Show buried residues

Minimal score value
-0.8574
Maximal score value
2.275
Average score
0.7393
Total score value
20.7002

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 2.0655
2 F A 1.8173
3 K A -0.2328
4 G A 0.0000
5 H A -0.1494
6 F A 1.1258
7 G A 0.7794
1 F B 2.2750
2 F B 2.0162
3 K B -0.0273
4 G B 0.0000
5 H B 0.0332
6 F B 0.4999
7 G B 1.9416
1 F C 2.2237
2 F C 1.9571
3 K C -0.4017
4 G C 0.0000
5 H C 0.1901
6 F C 0.6670
7 G C 0.8399
1 F D 2.1380
2 F D 1.5098
3 K D -0.8574
4 G D 0.0000
5 H D -0.5599
6 F D 0.3850
7 G D 0.4642
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Laboratory of Theory of Biopolymers 2018