Project name: 8751dc32ca69657

Status: done

Started: 2026-06-22 13:39:31
Settings
Chain sequence(s) A: KFFRKIWRWIRKRWW
input PDB
Selected Chain(s) A
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 A 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                                          (00:00:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:56)
Show buried residues

Minimal score value
-2.4909
Maximal score value
1.1591
Average score
-0.781
Total score value
-11.7154

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 K A -0.8010
2 F A 1.1591
3 F A 1.1435
4 R A -1.3702
5 K A -1.3573
6 I A 0.2939
7 W A -0.3934
8 R A -2.3362
9 W A -1.1116
10 I A -1.0177
11 R A -1.6056
12 K A -2.4909
13 R A -2.1064
14 W A 0.0031
15 W A 0.2753
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Laboratory of Theory of Biopolymers 2018