Project name: FGGHKGF4

Status: done

Started: 2026-02-13 14:18:28
Settings
Chain sequence(s) A: FGGHKGF
C: FGGHKGF
B: FGGHKGF
D: FGGHKGF
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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)
Show buried residues

Minimal score value
-2.5394
Maximal score value
2.4068
Average score
-0.1695
Total score value
-4.7454

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 1.2028
2 G A 0.6734
3 G A -0.8490
4 H A -1.8027
5 K A -2.5394
6 G A -0.9761
7 F A 1.7673
1 F B 0.5664
2 G B -0.4152
3 G B 0.0000
4 H B -1.7822
5 K B -1.9975
6 G B 0.1208
7 F B 2.2812
1 F C 2.4068
2 G C -0.1817
3 G C -0.7681
4 H C -1.2299
5 K C -1.3673
6 G C 0.0000
7 F C 2.1959
1 F D 2.0466
2 G D 0.2290
3 G D -1.0842
4 H D -1.3676
5 K D -2.0889
6 G D -0.5558
7 F D 0.7700
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018