Project name: a53e210efa9689a

Status: done

Started: 2025-12-09 12:24:45
Settings
Chain sequence(s) L: KALYFPHLD
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)
Show buried residues

Minimal score value
-1.6892
Maximal score value
2.0128
Average score
0.3342
Total score value
3.0076

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
193 K L -1.6892
194 A L -0.0427
195 L L 1.7631
196 Y L 1.7103
197 F L 2.0128
198 P L 0.1713
199 H L -0.0794
200 L L 0.7389
201 D L -1.5775
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Laboratory of Theory of Biopolymers 2018