Project name: adadfcb74eb92aa

Status: done

Started: 2026-02-12 13:41:55
Settings
Chain sequence(s) A: FGKGHGF
C: FGKGHGF
B: FGKGHGF
D: FGKGHGF
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                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)
Show buried residues

Minimal score value
-1.7207
Maximal score value
2.7501
Average score
0.4822
Total score value
13.5014

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 2.1436
2 G A 0.2006
3 K A -1.0378
4 G A -1.2604
5 H A -0.0578
6 G A 0.6949
7 F A 2.7501
1 F B 1.5946
2 G B -0.3669
3 K B -1.4752
4 G B -1.7207
5 H B -0.3778
6 G B 0.5472
7 F B 2.4885
1 F C 2.2298
2 G C 0.2372
3 K C -0.3581
4 G C -1.1851
5 H C -0.2006
6 G C 0.6495
7 F C 2.7326
1 F D 2.2440
2 G D 0.7013
3 K D -0.0456
4 G D -0.8348
5 H D -0.0575
6 G D 0.7458
7 F D 2.5200
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Laboratory of Theory of Biopolymers 2018