Project name: 1c9ac6827f32c37

Status: done

Started: 2025-12-20 11:41:24
Settings
Chain sequence(s) A: IRIRRRFFFF
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:21)
Show buried residues

Minimal score value
-2.5607
Maximal score value
4.0746
Average score
0.775
Total score value
7.7499

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 I A 1.4180
2 R A -0.6757
3 I A 0.0021
4 R A -2.2824
5 R A -2.5607
6 R A -1.2810
7 F A 1.9257
8 F A 3.5381
9 F A 4.0746
10 F A 3.5912
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Laboratory of Theory of Biopolymers 2018