Project name: a0b4270a994b76e

Status: done

Started: 2026-04-11 13:20:35
Settings
Chain sequence(s) A: IDDENSLITLKMAD
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]                                                (00:00:00)
[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 A 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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)
Show buried residues

Minimal score value
-2.9113
Maximal score value
1.2578
Average score
-0.68
Total score value
-9.5205

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 -0.3626
2 D A -2.4591
3 D A -2.9113
4 E A -2.5525
5 N A -1.9048
6 S A -1.0866
7 L A 0.1367
8 I A 0.7023
9 T A 0.5215
10 L A 1.2578
11 K A -0.0790
12 M A 0.8272
13 A A -0.0384
14 D A -1.5717
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Laboratory of Theory of Biopolymers 2018