Project name: fee29fb303d7d7

Status: done

Started: 2026-02-08 16:03:48
Settings
Chain sequence(s) L: KEYNLIAIAMADFLTD
input PDB
Selected Chain(s) L
Distance of aggregation 5 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 L 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                                          (00:00:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:14)
Show buried residues

Minimal score value
-2.2216
Maximal score value
2.0263
Average score
0.2788
Total score value
4.4609

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
0 K L -2.2216
1 E L -1.9143
2 Y L 0.7740
3 N L -0.7753
4 L L 1.7015
5 I L 1.7514
6 A L 0.5939
7 I L 2.0263
8 A L 0.6054
9 M L 1.0684
10 A L 0.1364
11 D L -0.2266
12 F L 1.4280
13 L L 1.7604
14 T L -0.2571
15 D L -1.9899
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Laboratory of Theory of Biopolymers 2018