Project name: e3f2bd8a28e2fd1

Status: done

Started: 2026-04-11 13:45:24
Settings
Chain sequence(s) A: SDLEKAKIVLQMAS
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-2.6782
Maximal score value
2.5163
Average score
-0.1079
Total score value
-1.51

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 S A -1.6261
2 D A -2.5164
3 L A -0.9143
4 E A -2.6782
5 K A -2.2722
6 A A -0.8057
7 K A -0.6838
8 I A 1.4187
9 V A 2.5163
10 L A 1.9509
11 Q A 0.8003
12 M A 1.7698
13 A A 1.1599
14 S A 0.3708
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Laboratory of Theory of Biopolymers 2018