Project name: 26cf931320e5024

Status: done

Started: 2026-02-08 09:20:37
Settings
Chain sequence(s) L: KPACPVPYLTAD
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                                          (00:00:08)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-1.7787
Maximal score value
1.7761
Average score
0.1818
Total score value
2.1817

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
189 K L -1.7487
190 P L -0.5696
191 A L 0.1447
192 C L 0.6957
193 P L 0.1959
194 V L 1.6822
195 P L 0.2962
196 Y L 1.5526
197 L L 1.7761
198 T L 0.2161
199 A L -0.2808
200 D L -1.7787
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Laboratory of Theory of Biopolymers 2018