Project name: 37c584fcb2f256f

Status: done

Started: 2025-12-11 04:29:11
Settings
Chain sequence(s) L: KLKNKYDAWYVD
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]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with L chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:22)
Show buried residues

Minimal score value
-2.0151
Maximal score value
1.6898
Average score
-0.2741
Total score value
-3.2888

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
304 K L -1.4695
305 L L 0.9494
306 K L -1.6515
307 N L -2.0151
308 K L -1.4222
309 Y L 0.8180
310 D L -1.4096
311 A L -0.1513
312 W L 1.2402
313 Y L 1.6041
314 V L 1.6898
315 D L -1.4711
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Laboratory of Theory of Biopolymers 2018