Project name: cdc044b207a1d86

Status: done

Started: 2025-12-11 04:29:41
Settings
Chain sequence(s) L: CFLQDDEGC
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
-2.44
Maximal score value
2.1645
Average score
-0.3469
Total score value
-3.1217

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
216 C L 1.0840
217 F L 2.1645
218 L L 1.6773
219 Q L -1.2424
220 D L -2.1252
221 D L -2.4400
222 E L -2.2283
223 G L -0.6580
224 C L 0.6464
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Laboratory of Theory of Biopolymers 2018