Project name: d525cb5087eb52b

Status: done

Started: 2026-07-22 14:11:22
Settings
Chain sequence(s) A: DVQSAADDTGLPMLVVRGPFNVVWQRLPAALEKVGMKVTDSTRSQGNMAVTYKPLSDSDWQELGASDPGLASGDYKLQVGDLDNRSSLQFIDPKGHTLTQSQNDALVAVFQAAFSKPG
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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 A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)
Show buried residues

Minimal score value
-3.251
Maximal score value
0.0
Average score
-1.271
Total score value
-149.9803

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
229 D A -2.0817
230 V A 0.0000
231 Q A -1.9656
232 S A -1.2262
233 A A -0.6313
234 A A -0.5446
235 D A -1.0553
236 D A -1.9423
237 T A -0.9913
238 G A -0.7082
239 L A -0.0020
240 P A -0.6657
241 M A -0.6639
242 L A 0.0000
243 V A -0.9455
244 V A 0.0000
245 R A -2.7371
246 G A 0.0000
247 P A -2.0863
248 F A -2.1276
249 N A -1.9325
250 V A -0.7205
251 V A 0.0000
252 W A -1.6001
253 Q A -2.2119
254 R A -2.1303
255 L A 0.0000
256 P A -1.6596
257 A A -1.6629
258 A A 0.0000
259 L A 0.0000
260 E A -2.5647
261 K A -1.9539
262 V A 0.0000
263 G A -1.7630
264 M A 0.0000
265 K A -2.8918
266 V A -1.5701
267 T A -1.4272
268 D A -2.1141
269 S A -1.9273
270 T A -1.8657
271 R A -2.7049
272 S A -1.7626
273 Q A -2.1202
274 G A 0.0000
275 N A -1.8143
276 M A 0.0000
277 A A -1.6222
278 V A 0.0000
279 T A -2.2781
280 Y A 0.0000
281 K A -2.2965
282 P A -1.4709
283 L A -1.2290
284 S A -1.9297
285 D A -3.0074
286 S A -2.4086
287 D A -2.5399
288 W A 0.0000
289 Q A -3.0756
290 E A -3.2510
291 L A 0.0000
292 G A -1.8290
293 A A -1.6557
294 S A -1.7574
295 D A -2.2979
296 P A 0.0000
297 G A -1.2997
298 L A 0.0000
299 A A -0.8504
300 S A -1.3574
301 G A -1.8207
302 D A -2.8959
303 Y A 0.0000
304 K A -2.2279
305 L A 0.0000
306 Q A -1.0894
307 V A 0.0000
308 G A -1.6173
309 D A -2.4928
310 L A -1.5785
311 D A -3.0032
312 N A -2.8551
313 R A -2.8006
314 S A 0.0000
315 S A -0.9841
316 L A 0.0000
317 Q A -0.3240
318 F A 0.0000
319 I A -1.4359
320 D A -1.9588
321 P A -2.3651
322 K A -2.7556
323 G A -2.2320
324 H A -1.9363
325 T A -1.0389
326 L A 0.0000
327 T A -1.0457
328 Q A -1.7091
329 S A -1.5445
330 Q A -1.5429
331 N A 0.0000
332 D A -2.2106
333 A A -1.5263
334 L A 0.0000
335 V A -0.9394
336 A A -0.9249
337 V A 0.0000
338 F A 0.0000
339 Q A -1.0911
340 A A -0.8220
341 A A 0.0000
342 F A -0.6761
343 S A -0.6778
344 K A -1.1864
345 P A -0.7697
346 G A -0.9731
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018