Project name: FGGHKFG4

Status: done

Started: 2026-05-21 14:13:23
Settings
Chain sequence(s) A: FGGHKFG
C: FGGHKFG
B: FGGHKFG
D: FGGHKFG
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                                          (00:02:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:19)
Show buried residues

Minimal score value
-1.9484
Maximal score value
1.9401
Average score
0.168
Total score value
4.7029

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 0.5791
2 G A 1.3825
3 G A 0.0000
4 H A -0.2275
5 K A -0.9547
6 F A 0.3641
7 G A -0.1653
1 F B 1.9401
2 G B 0.6367
3 G B -0.2476
4 H B -0.6528
5 K B -0.8279
6 F B 0.7257
7 G B -0.0591
1 F C 1.6314
2 G C 0.8647
3 G C 0.0000
4 H C 0.5112
5 K C -0.3030
6 F C 1.3983
7 G C 0.0416
1 F D 1.3533
2 G D 0.1046
3 G D -0.3492
4 H D -1.0133
5 K D -1.9484
6 F D 0.2291
7 G D -0.3107
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Laboratory of Theory of Biopolymers 2018