Project name: 3f5d6c38ee1671a

Status: done

Started: 2026-01-28 11:00:14
Settings
Chain sequence(s) L: CVFDTSFNEYYGFGLC
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)
Show buried residues

Minimal score value
-1.8533
Maximal score value
1.8051
Average score
0.4037
Total score value
6.4584

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 0.9197
1 V L 1.3523
2 F L 0.8808
3 D L -1.6253
4 T L -0.4249
5 S L 0.3350
6 F L 1.4148
7 N L -1.3054
8 E L -1.8533
9 Y L 0.8792
10 Y L 0.6581
11 G L 0.5541
12 F L 1.8051
13 G L 0.2698
14 L L 1.5863
15 C L 1.0121
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Laboratory of Theory of Biopolymers 2018