Project name: cd9ade9e4f2a298

Status: done

Started: 2024-06-27 05:51:44
Settings
Chain sequence(s) O: QTAPVPMPDLKNVKSKIGSTENLKHQPGGGK
input PDB
Selected Chain(s) O
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with O chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)
Show buried residues

Minimal score value
-2.7191
Maximal score value
1.7344
Average score
-1.0055
Total score value
-31.1713

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
244 Q O -1.2550
245 T O -0.4530
246 A O 0.2754
247 P O 0.3791
248 V O 1.7344
249 P O 0.8238
250 M O 0.7986
251 P O -0.3141
252 D O -1.6399
253 L O -0.1877
254 K O -1.7421
255 N O -1.3495
256 V O 0.0990
257 K O -1.3755
258 S O -1.0986
259 K O -1.2498
260 I O 0.0207
261 G O -0.6192
262 S O -0.9347
263 T O -1.2215
264 E O -2.4054
265 N O -2.3779
266 L O -1.0683
267 K O -2.4621
268 H O -2.7191
269 Q O -2.3669
270 P O -1.8903
271 G O -1.4754
272 G O -1.4724
273 G O -1.6086
274 K O -2.0153
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Laboratory of Theory of Biopolymers 2018