Project name: b6afdfbf1d95f8c

Status: done

Started: 2025-12-09 12:16:38
Settings
Chain sequence(s) L: KAITEYLGFEMLDD
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                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:35)
Show buried residues

Minimal score value
-1.6906
Maximal score value
2.1579
Average score
0.1527
Total score value
2.1378

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
19 K L -1.6906
20 A L 0.1166
21 I L 2.1579
22 T L 0.0298
23 E L -1.3666
24 Y L 1.4719
25 L L 1.6983
26 G L 0.1776
27 F L 1.3260
28 E L -1.3545
29 M L 0.6033
30 L L 1.2811
31 D L -1.6027
32 D L -0.7103
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Laboratory of Theory of Biopolymers 2018