Project name: 43f69f2fd952f45

Status: done

Started: 2026-03-07 13:54:24
Settings
Chain sequence(s) A: LVPNDTRYSEQWGYASGVGGANLPKAWDITTGSDKVVVAVVDTGYRPHADLAANILPGYDFISDPDSANDGNGRDNNAADPGDWVTQQEVDDPNGPFYRCQLDQFGNTFASNSSWHGTHVAGTIGAVSNNGTGVAGISWKGKILPVRVLGKCGGTLSDIADGMRWAAGLSVPGAPANPNPASVLNFSLGGGGSCSRTYQNAINAVVAKGATVVVAAGNEASPVSSSQPANCQNVIAVAATDINGRRASFTNTGSLVKIAAPGVNILSTLNSGTKSPAADSYASYNGTSMATPHVAGTVALMLAANGSLTPSQILQKLQASARPFPSGSGCSTSTCGAGLLDAGAAVNAARQHHH
B: LVPNDTRYSEQWGYASGVGGANLPKAWDITTGSDKVVVAVVDTGYRPHADLAANILPGYDFISDPDSANDGNGRDNNAADPGDWVTQQEVDDPNGPFYRCQLDQFGNTFASNSSWHGTHVAGTIGAVSNNGTGVAGISWKGKILPVRVLGKCGGTLSDIADGMRWAAGLSVPGAPANPNPASVLNFSLGGGGSCSRTYQNAINAVVAKGATVVVAAGNEASPVSSSQPANCQNVIAVAATDINGRRASFTNTGSLVKIAAPGVNILSTLNSGTKSPAADSYASYNGTSMATPHVAGTVALMLAANGSLTPSQILQKLQASARPFPSGSGCSTSTCGAGLLDAGAAVNAARQHHH
input PDB
Selected Chain(s) A,B
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:09)
Show buried residues

Minimal score value
-3.286
Maximal score value
1.5522
Average score
-0.5197
Total score value
-367.9426

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
114 L A 1.3320
115 V A 1.5522
116 P A 0.0000
117 N A -1.4815
118 D A 0.0000
119 T A -1.1882
120 R A -1.2427
121 Y A -0.9209
122 S A -1.0592
123 E A -2.0190
124 Q A 0.0000
125 W A -0.1161
126 G A 0.0000
127 Y A 0.0000
128 A A 0.0016
129 S A -0.3170
130 G A 0.3377
131 V A 1.1102
132 G A 0.0000
133 G A 0.0000
134 A A 0.0000
135 N A -0.5171
136 L A 0.0000
137 P A -0.0295
138 K A -1.2840
139 A A 0.0000
140 W A 0.0000
141 D A -1.0399
142 I A -0.1796
143 T A -0.4082
144 T A 0.0000
145 G A -1.2245
146 S A -2.1718
147 D A -3.2860
148 K A -3.0006
149 V A 0.0000
150 V A 0.0000
151 V A 0.0000
152 A A 0.0000
153 V A 0.0000
154 V A 0.0000
155 D A 0.0000
156 T A 0.0000
157 G A 0.0000
158 Y A -0.1047
159 R A -0.4662
160 P A -0.3895
161 H A 0.0000
162 A A -0.2098
163 D A 0.0000
164 L A 0.0000
165 A A 0.1143
166 A A -0.0378
167 N A 0.0000
168 I A 0.1675
169 L A 0.0128
170 P A -0.6504
171 G A -0.7580
172 Y A 0.0000
173 D A 0.0000
174 F A 0.0000
175 I A 0.0000
176 S A -1.5067
177 D A -2.4242
178 P A -2.5021
179 D A -2.6048
180 S A -1.6763
181 A A 0.0000
182 N A -1.8225
183 D A -2.0989
184 G A -1.9331
185 N A -2.0835
186 G A -1.8977
187 R A -1.8769
188 D A -1.8960
189 N A -2.1497
190 N A -2.0444
191 A A 0.0000
192 A A -0.7154
193 D A 0.0000
194 P A -0.7105
195 G A 0.0000
196 D A 0.0000
197 W A -1.0198
198 V A 0.0000
199 T A -1.3522
200 Q A -1.7854
201 Q A -2.2097
202 E A -1.8640
203 V A 0.0000
204 D A -2.2381
205 D A -2.1669
206 P A -1.5792
207 N A -1.7285
208 G A -1.5479
209 P A -1.1861
210 F A 0.0000
211 Y A -1.0376
212 R A -0.9719
213 C A -0.3017
214 Q A -0.4375
215 L A -0.4441
216 D A -1.0095
217 Q A -0.9201
218 F A 0.6573
219 G A -0.3960
220 N A -1.1364
221 T A -0.6905
222 F A -0.1603
223 A A -0.4705
224 S A -0.7703
225 N A -1.6652
226 S A 0.0000
227 S A -0.5663
228 W A 0.0000
229 H A 0.0000
230 G A 0.0000
231 T A 0.0000
232 H A 0.0000
233 V A 0.0000
234 A A 0.0000
235 G A 0.0000
236 T A 0.0000
237 I A 0.0000
238 G A 0.0000
239 A A 0.0000
240 V A -0.3407
241 S A -0.9046
242 N A -1.5871
243 N A -1.6104
244 G A -1.5102
245 T A -0.9228
246 G A 0.0000
247 V A 0.0000
248 A A 0.0000
249 G A 0.0000
250 I A 0.0000
251 S A 0.0000
252 W A -1.0994
253 K A -2.4919
254 G A 0.0000
255 K A -1.6151
256 I A 0.0000
257 L A 0.0000
258 P A 0.0000
259 V A 0.0000
260 R A 0.0000
261 V A 0.0000
262 L A 0.0000
263 G A 0.0000
264 K A 0.0000
265 C A -0.2889
266 G A 0.0000
267 G A 0.0000
268 T A -0.8115
269 L A 0.0000
270 S A -0.2957
271 D A 0.0000
272 I A 0.0000
273 A A 0.0000
274 D A -0.5822
275 G A 0.0000
276 M A 0.0000
277 R A -0.9323
278 W A 0.0000
279 A A 0.0000
280 A A 0.0000
281 G A -0.5574
282 L A -0.3093
283 S A -0.4126
284 V A 0.0000
285 P A -0.6050
286 G A -0.7713
287 A A -0.7915
288 P A -0.6036
289 A A -0.2997
290 N A 0.0000
291 P A -0.5500
292 N A -0.8593
293 P A -0.7781
294 A A 0.0000
295 S A -0.5797
296 V A 0.0000
297 L A 0.0000
298 N A 0.0000
299 F A 0.0000
300 S A 0.0000
301 L A 0.0000
302 G A 0.0000
303 G A 0.0000
304 G A -0.8978
305 G A -0.5896
306 S A -0.4476
307 C A -0.5026
308 S A 0.0000
309 R A -1.0853
310 T A -0.9707
311 Y A 0.0000
312 Q A 0.0000
313 N A -1.6006
314 A A 0.0000
315 I A 0.0000
316 N A -1.6076
317 A A -0.8848
318 V A 0.0000
319 V A -0.7531
320 A A -0.8102
321 K A -1.4374
322 G A -0.8803
323 A A 0.0000
324 T A 0.0000
325 V A 0.0000
326 V A 0.0000
327 V A 0.0000
328 A A 0.0000
329 A A 0.0000
330 G A 0.0000
331 N A -1.1809
332 E A -1.6582
333 A A -0.7781
334 S A -0.7691
335 P A -0.6295
336 V A 0.0000
337 S A -0.4649
338 S A -0.7172
339 S A 0.0000
340 Q A 0.0000
341 P A 0.0000
342 A A 0.0000
343 N A -0.6830
344 C A 0.0000
345 Q A -1.8724
346 N A -1.9814
347 V A 0.0000
348 I A 0.0000
349 A A 0.0000
350 V A 0.0000
351 A A 0.0000
352 A A 0.0000
353 T A 0.0000
354 D A -0.4453
355 I A 1.0575
356 N A -0.4629
357 G A 0.0000
358 R A -1.7235
359 R A -1.6417
360 A A 0.0000
361 S A -0.7394
362 F A -0.6301
363 T A 0.0000
364 N A 0.0000
365 T A -0.5228
366 G A -0.3420
367 S A -0.2882
368 L A -0.0852
369 V A 0.0000
370 K A -0.4941
371 I A 0.0000
372 A A 0.0000
373 A A 0.0000
374 P A 0.0000
375 G A 0.0000
376 V A -0.5638
377 N A -1.4084
378 I A 0.0000
379 L A 0.0000
380 S A 0.0000
381 T A 0.0000
382 L A 0.0000
383 N A 0.0000
384 S A -0.6547
385 G A -1.0120
386 T A -1.2953
387 K A -1.8455
388 S A -1.1103
389 P A -0.7669
390 A A -0.5907
391 A A -0.6084
392 D A -1.1824
393 S A -0.4683
394 Y A 0.0142
395 A A -0.0025
396 S A -0.7334
397 Y A -0.6826
398 N A -1.4760
399 G A 0.0000
400 T A 0.0000
401 S A 0.0000
402 M A 0.0000
403 A A 0.0000
404 T A 0.0000
405 P A 0.0000
406 H A 0.0000
407 V A 0.0000
408 A A 0.0000
409 G A 0.0000
410 T A 0.0000
411 V A 0.0000
412 A A 0.0000
413 L A 0.0000
414 M A 0.0000
415 L A 0.0000
416 A A -0.9627
417 A A -0.5095
418 N A -0.9570
419 G A -0.7772
420 S A -0.4864
421 L A -0.3959
422 T A -0.5737
423 P A -0.7308
424 S A -1.0797
425 Q A -1.4883
426 I A 0.0000
427 L A -0.9117
428 Q A -1.8097
429 K A -1.4564
430 L A 0.0000
431 Q A -1.0074
432 A A -0.6213
433 S A -0.4987
434 A A -0.3789
435 R A -0.2794
436 P A -0.3621
437 F A -0.4337
438 P A -0.4783
439 S A -0.6515
440 G A -0.9806
441 S A 0.0000
442 G A -1.1805
443 C A -0.8232
444 S A -0.4012
445 T A -0.3045
446 S A -0.3488
447 T A -0.4224
448 C A 0.0000
449 G A 0.0000
450 A A -0.4748
451 G A 0.0000
452 L A 0.0000
453 L A 0.0000
454 D A 0.0000
455 A A 0.0000
456 G A -0.9748
457 A A -0.6170
458 A A 0.0000
459 V A 0.0000
460 N A -1.4049
461 A A -1.1189
462 A A -1.7378
463 R A -2.8581
464 Q A -2.8959
465 H A -2.7578
466 H A -2.2033
467 H A -1.8493
114 L B 0.5592
115 V B 1.2656
116 P B 0.0000
117 N B -1.5707
118 D B 0.0000
119 T B -1.1939
120 R B -1.2526
121 Y B -0.9047
122 S B -1.0082
123 E B -1.8943
124 Q B 0.0000
125 W B -0.0934
126 G B 0.0000
127 Y B 0.0000
128 A B -0.0470
129 S B -0.3944
130 G B 0.2805
131 V B 0.9913
132 G B 0.0000
133 G B 0.0000
134 A B 0.0000
135 N B -0.6380
136 L B 0.0000
137 P B -0.3002
138 K B -1.5369
139 A B 0.0000
140 W B 0.0000
141 D B -0.8690
142 I B -0.7012
143 T B -0.6020
144 T B -0.2843
145 G B 0.0000
146 S B -1.9244
147 D B -3.0108
148 K B -2.8802
149 V B 0.0000
150 V B 0.0000
151 V B 0.0000
152 A B 0.0000
153 V B 0.0000
154 V B 0.0000
155 D B 0.0000
156 T B 0.0000
157 G B 0.0000
158 Y B -0.1333
159 R B -0.4920
160 P B -0.4134
161 H B 0.0000
162 A B -0.2211
163 D B 0.0000
164 L B 0.0000
165 A B 0.1087
166 A B 0.0573
167 N B 0.0000
168 I B 0.1687
169 L B 0.0362
170 P B -0.6380
171 G B -0.7546
172 Y B 0.0000
173 D B 0.0000
174 F B 0.0000
175 I B 0.0000
176 S B -1.4194
177 D B -2.1976
178 P B -2.3578
179 D B -2.4766
180 S B -1.6561
181 A B 0.0000
182 N B -1.8379
183 D B -2.1600
184 G B -1.9305
185 N B -2.0489
186 G B -1.8205
187 R B -1.8460
188 D B -1.9153
189 N B -2.1652
190 N B -2.0837
191 A B 0.0000
192 A B -0.7365
193 D B 0.0000
194 P B -0.7708
195 G B 0.0000
196 D B -0.7602
197 W B -1.1164
198 V B 0.0000
199 T B -1.4038
200 Q B -1.8420
201 Q B -2.2261
202 E B -1.8718
203 V B 0.0000
204 D B -2.3041
205 D B -2.2407
206 P B -1.6071
207 N B -1.7163
208 G B -1.5685
209 P B -1.1347
210 F B 0.0000
211 Y B -0.8567
212 R B -0.9447
213 C B 0.2665
214 Q B 0.0725
215 L B 0.0083
216 D B -0.7694
217 Q B -0.8058
218 F B 0.7499
219 G B -0.2624
220 N B -1.0512
221 T B -0.4964
222 F B -0.0956
223 A B -0.4035
224 S B -0.8021
225 N B -1.7088
226 S B 0.0000
227 S B -0.6439
228 W B 0.0000
229 H B -0.1258
230 G B 0.0000
231 T B 0.0000
232 H B 0.0000
233 V B 0.0000
234 A B 0.0000
235 G B 0.0000
236 T B 0.0000
237 I B 0.0000
238 G B 0.0000
239 A B 0.0000
240 V B -0.1919
241 S B -0.7648
242 N B -1.5620
243 N B -1.5966
244 G B -1.5091
245 T B -0.9309
246 G B 0.0000
247 V B 0.0000
248 A B 0.0000
249 G B 0.0000
250 I B 0.0000
251 S B 0.0000
252 W B -0.6655
253 K B -1.6259
254 G B 0.0000
255 K B -1.4074
256 I B 0.0000
257 L B 0.0000
258 P B 0.0000
259 V B 0.0000
260 R B 0.0000
261 V B 0.0000
262 L B -0.0175
263 G B 0.0000
264 K B 0.0000
265 C B 0.0686
266 G B -0.2137
267 G B -0.4353
268 T B -0.1871
269 L B 0.1697
270 S B -0.1242
271 D B 0.0000
272 I B 0.0000
273 A B 0.0000
274 D B -0.4949
275 G B 0.0000
276 M B 0.0000
277 R B -0.8978
278 W B 0.0000
279 A B 0.0000
280 A B 0.0000
281 G B -0.5603
282 L B -0.3356
283 S B -0.4132
284 V B 0.0000
285 P B -0.6067
286 G B -0.7713
287 A B -0.7949
288 P B -0.6048
289 A B -0.3033
290 N B 0.0000
291 P B -0.5278
292 N B -0.8091
293 P B -0.7669
294 A B 0.0000
295 S B -0.5622
296 V B 0.0000
297 L B 0.0000
298 N B 0.0000
299 F B 0.0000
300 S B 0.0000
301 L B -0.2742
302 G B -0.8253
303 G B -0.8706
304 G B -1.0285
305 G B -0.9080
306 S B -0.8268
307 C B -0.9660
308 S B -1.1958
309 R B -2.2963
310 T B -1.3414
311 Y B 0.0000
312 Q B -2.0285
313 N B -2.1923
314 A B 0.0000
315 I B 0.0000
316 N B -1.6782
317 A B -1.0075
318 V B 0.0000
319 V B -0.6309
320 A B -0.7229
321 K B -1.5135
322 G B -0.9065
323 A B 0.0000
324 T B 0.0000
325 V B 0.0000
326 V B 0.0000
327 V B 0.0000
328 A B 0.0000
329 A B 0.0000
330 G B -1.1382
331 N B -1.7721
332 E B -2.1802
333 A B -1.0547
334 S B -0.9591
335 P B -0.6841
336 V B 0.0000
337 S B -0.5362
338 S B -0.9472
339 S B 0.0000
340 Q B -0.6638
341 P B 0.0000
342 A B 0.0000
343 N B -0.7718
344 C B 0.0000
345 Q B -1.6402
346 N B -1.4444
347 V B 0.0000
348 I B 0.0000
349 A B 0.0000
350 V B 0.0000
351 A B 0.0000
352 A B 0.0000
353 T B 0.0000
354 D B -0.5591
355 I B 0.9505
356 N B -0.6099
357 G B 0.0000
358 R B -1.9951
359 R B -1.8057
360 A B 0.0000
361 S B -0.8807
362 F B -0.8997
363 T B 0.0000
364 N B 0.0000
365 T B -0.6238
366 G B -0.3427
367 S B -0.2904
368 L B -0.0889
369 V B 0.0000
370 K B -0.4848
371 I B 0.0000
372 A B 0.0000
373 A B 0.0000
374 P B 0.0000
375 G B 0.0000
376 V B -0.5825
377 N B -1.3974
378 I B 0.0000
379 L B 0.0000
380 S B 0.0000
381 T B 0.0000
382 L B 0.0000
383 N B 0.0000
384 S B -0.6766
385 G B -1.0184
386 T B -1.3174
387 K B -1.8735
388 S B -1.1279
389 P B -0.7577
390 A B -0.5929
391 A B -0.6291
392 D B -1.2278
393 S B -0.4926
394 Y B -0.0090
395 A B -0.0082
396 S B -0.7226
397 Y B -0.7104
398 N B -1.5326
399 G B 0.0000
400 T B 0.0000
401 S B -0.3350
402 M B 0.0000
403 A B 0.0000
404 T B 0.0000
405 P B 0.0000
406 H B 0.0000
407 V B 0.0000
408 A B 0.0000
409 G B 0.0000
410 T B 0.0000
411 V B 0.0000
412 A B 0.0000
413 L B 0.0000
414 M B 0.0000
415 L B 0.0000
416 A B -1.0581
417 A B -0.7037
418 N B -0.9230
419 G B -0.8675
420 S B -0.4747
421 L B -0.3711
422 T B -0.3422
423 P B -0.4768
424 S B -0.7416
425 Q B -0.9536
426 I B 0.0000
427 L B -0.8193
428 Q B -1.7786
429 K B -1.7169
430 L B 0.0000
431 Q B -1.0833
432 A B -0.7805
433 S B -0.6547
434 A B -0.4403
435 R B -0.2817
436 P B -0.3580
437 F B -0.4920
438 P B -0.5428
439 S B -0.6744
440 G B -1.0302
441 S B 0.0000
442 G B -1.2517
443 C B -0.8903
444 S B -0.3877
445 T B -0.3029
446 S B -0.3494
447 T B -0.4281
448 C B 0.0000
449 G B 0.0000
450 A B -0.4755
451 G B 0.0000
452 L B 0.0000
453 L B 0.0000
454 D B 0.0000
455 A B 0.0000
456 G B 0.0000
457 A B -0.7025
458 A B 0.0000
459 V B 0.0000
460 N B -1.4714
461 A B -1.0013
462 A B -1.0673
463 R B -1.2918
464 Q B 0.0000
465 H B -0.9846
466 H B -0.6725
467 H B 0.0000
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Laboratory of Theory of Biopolymers 2018