Project name: 46b994042a65433

Status: done

Started: 2025-12-11 04:29:22
Settings
Chain sequence(s) L: KRFAEYAPNID
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)
Show buried residues

Minimal score value
-2.0335
Maximal score value
1.6098
Average score
-0.4673
Total score value
-5.1406

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
434 K L -2.0335
435 R L -1.8023
436 F L 1.6098
437 A L -0.1946
438 E L -1.5830
439 Y L 0.9912
440 A L 0.2026
441 P L -0.4844
442 N L -1.0778
443 I L 0.7811
444 D L -1.5497
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Laboratory of Theory of Biopolymers 2018