Project name: 26b06a5aa6dae

Status: done

Started: 2026-01-21 15:41:26
Settings
Chain sequence(s) L: SIIYEPEFNENYLWAE
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.2828
Maximal score value
2.62
Average score
0.1153
Total score value
1.8442

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
466 S L 0.1479
467 I L 2.3426
468 I L 2.6200
469 Y L 1.3435
470 E L -1.6218
471 P L -0.9207
472 E L -1.5100
473 F L 1.3747
474 N L -1.2510
475 E L -2.2828
476 N L -1.3661
477 Y L 1.3673
478 L L 1.9984
479 W L 1.4727
480 A L -0.0612
481 E L -1.8093
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Laboratory of Theory of Biopolymers 2018