Project name: 1b6f037712cb6ce

Status: done

Started: 2026-02-08 15:51:22
Settings
Chain sequence(s) L: CKYFGPGSWQDEGQC
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                                          (00:00:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-2.3723
Maximal score value
2.0919
Average score
-0.4443
Total score value
-6.6642

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 C L 0.0838
1 K L -1.4112
2 Y L 1.3564
3 F L 2.0919
4 G L -0.1658
5 P L -0.4310
6 G L -0.5505
7 S L -0.1516
8 W L 0.3614
9 Q L -1.5942
10 D L -2.3421
11 E L -2.3723
12 G L -0.9885
13 Q L -1.0043
14 C L 0.4538
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018