Project name: 123

Status: done

Started: 2026-05-10 11:40:32
Settings
Chain sequence(s) A: QVQLLESGGGLVQPGGSLRLSCAASGGTFTNYKMGWFRQAPGKGREFVAAITWSGSSTDYADSVKGRFTISRDNAKNTLYLQMNSLRAEDTAVYYCVAKYWRNEGYLSDYPYWGQGTQVTVSS
input PDB
Selected Chain(s) A
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]                                                (00:00:05)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:05)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:05)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:05)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:05)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:52)
Show buried residues

Minimal score value
-3.0465
Maximal score value
0.9541
Average score
-0.8421
Total score value
-103.5832

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
261 Q A -1.6591
262 V A 0.0000
263 Q A -1.1925
264 L A 0.0000
265 L A 0.5781
266 E A -0.1800
267 S A -0.7994
268 G A -1.2533
269 G A -0.8650
270 G A -0.0831
271 L A 0.9541
272 V A 0.0000
273 Q A -1.4856
274 P A -1.7991
275 G A -1.5367
276 G A -1.0619
277 S A -1.4274
278 L A -1.1505
279 R A -2.2826
280 L A 0.0000
281 S A -0.6057
282 C A 0.0000
283 A A -0.2651
284 A A 0.0000
285 S A -0.9143
286 G A -1.4130
287 G A -1.2367
288 T A -0.7496
289 F A 0.0000
290 T A -0.3236
291 N A -0.5925
292 Y A 0.0000
293 K A -0.5558
294 M A 0.0000
295 G A 0.0000
296 W A 0.0000
297 F A 0.0000
298 R A 0.0000
299 Q A -2.0378
300 A A -1.8826
301 P A -1.2743
302 G A -1.7606
303 K A -2.9183
304 G A -2.7206
305 R A -3.0465
306 E A -2.2619
307 F A -0.8103
308 V A 0.0000
309 A A 0.0000
310 A A 0.0000
311 I A 0.0000
312 T A -0.3563
313 W A -0.0098
314 S A -0.2507
315 G A -0.4718
316 S A -0.3669
317 S A -0.5311
318 T A -0.6228
319 D A -1.1519
320 Y A -1.2290
321 A A -1.5422
322 D A -2.5771
323 S A -1.7744
324 V A 0.0000
325 K A -2.7607
326 G A -1.7737
327 R A -1.5995
328 F A 0.0000
329 T A -1.0548
330 I A 0.0000
331 S A -0.4744
332 R A -0.8207
333 D A -1.3746
334 N A -1.3734
335 A A -1.2712
336 K A -2.1964
337 N A -1.6856
338 T A -0.9730
339 L A 0.0000
340 Y A -0.6562
341 L A 0.0000
342 Q A -1.5655
343 M A 0.0000
344 N A -1.5788
345 S A -1.3482
346 L A 0.0000
347 R A -2.7834
348 A A -1.9635
349 E A -2.4015
350 D A 0.0000
351 T A -0.9425
352 A A 0.0000
353 V A -0.4999
354 Y A 0.0000
355 Y A -0.2541
356 C A 0.0000
357 V A 0.0000
358 A A 0.0000
359 K A 0.0000
360 Y A -0.8253
361 W A -1.2766
362 R A -2.7430
363 N A -2.7736
364 E A -2.8358
365 G A -1.5563
366 Y A 0.1601
367 L A -0.1960
368 S A -0.5245
369 D A -1.8325
370 Y A 0.0000
371 P A -0.4376
372 Y A -0.1507
373 W A 0.0773
374 G A -0.2722
375 Q A -1.1086
376 G A -0.6384
377 T A -0.7857
378 Q A -1.1057
379 V A 0.0000
380 T A -0.3757
381 V A 0.0000
382 S A -0.7812
383 S A -0.7524
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Laboratory of Theory of Biopolymers 2018