Project name: 2c25a6bcd74cfd5

Status: done

Started: 2026-01-28 10:57:49
Settings
Chain sequence(s) L: CFGKAVPQETWQC
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)
Show buried residues

Minimal score value
-2.0161
Maximal score value
1.8552
Average score
-0.0355
Total score value
-0.4618

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 0.5014
1 F L 1.8552
2 G L -0.2688
3 K L -1.7776
4 A L -0.0127
5 V L 1.7618
6 P L 0.1234
7 Q L -1.3204
8 E L -2.0161
9 T L -0.1662
10 W L 0.9830
11 Q L -0.8564
12 C L 0.7316
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018