Project name: 37a147f09ca42c0

Status: done

Started: 2026-07-08 23:05:51
Settings
Chain sequence(s) A: VCPGTLNGLSVTGDAENQYQTLYKLYERCEVVMGNLEIVLTGHNADLSFLQWIREVTGYVLVAMNEFSTLPLPNLRVVRGTQVYDGKFAIFVMLNYNTNSSHALRQLRLTQLTEILSGGVYIEKNDKLCHMDTIDWRDIVRDRDAEIVVKDNGRSCPPCHEVCKGRCWGPGSEDCQTLTKTICAPQCNGHCFGPNPNQCCHDECAGGCSGPQDTDCFACRHFNDSGACVPRCPQPLVYNKLTFQLEPNPHTKYQYGGVCVASCPHNFVVDQTSCVRACPPDKMEVDKNGLKMCEPCPKACEGTGSGSRFQTVDSSNIDGFVNCTKILGNLDFLITGLNGDPWHKIPALDPEKLNVFRTVREITGYLNIQSWPPHMHNFSVFSNLTTIGGRSLYNRGFSLLIMKNLNVTSLGFRSLKEISAGRIYISANRQLCYHHSLNWTKVLRGPTEERLDIKHNRPRRDCVAEGKVCDPLCSSGGCWGPGPGQCLSCRNYSRGGVCVTHCNFLNGEPREFAHEAECFSCHPECQPMEGTATCNGSGSDTCAQCAHFRDGPHCVSSCPHGVLGAKGPIYKYPDVQNECRPCHENCTQGCKGPELQDCL
H: SHLVKCAEKEKTFCVNGGECFMVKSNPSRYLCKCPNEFTGDRCQNYVMA
C: DIQMTQSPSSLSASVGDRVTITCRASQDVNTAVAWYQQKPGKAPKLLIYSASFLYSGVPSRFSGSRSGTDFTLTISSLQPEDFATYYCQQHYTTPPTFGQGTKVEIKRTVAAPSVFIFPPSDEQLKSGTASVVCLLNNFYPREAKVQWKVDNALQSGNSQESVTEQDSKDSTYSLSSTLTLSKADYEKHKVYACEVTHQGLSSPVTKSFNRGEC
B: QVCTGTDMKLRLPASPETHLDMLRHLYQGCQVVQGNLELTYLPTNASLSFLQDIQEVQGYVLIAHNQVRQVPLQRLRIVRGTQLFEDNYALAVLDNGGGLRELQLRSLTEILKGGVLIQRNPQLCYQDTILWKDIFHKNNQLALTLIDTNRSRACHPCSPMCKGSRCWGESSEDCQSLTRTVCAGGCARCKGPLPTDCCHEQCAAGCTGPKHSDCLACLHFNHSGICELHCPALVTYNTDTFESMPNPEGRYTFGASCVTACPYNYLSTDVGFCTLVCPLHNQEVTATQRCEKCSKPCARVCYGLGMEHLREVRAVTSANIQEFAGCKKIFGSLAFLPESFDGDPASNTAPLQPEQLQVFETLEEITGYLYISAWPDSLPDLSVFQNLQVIRGRILHNGAYSLTLQGLGISWLGLRSLRELGSGLALIHHNTHLCFVHTVPWDQLFRNPHQALLHTANRPEDECVGEGLACHQLCARGHCWGPGPTQCVNCSQFLRGQECVEECRVLQGLPREYVNARHCLPCHPECQPQNGSVTCFGPEADQCVACAHYKDPPFCVARCPSIWKFPDEEGACQPCPIN
D: EVQLVESGGGLVQPGGSLRLSCAASGFNIKDTYIHWVRQAPGKGLEWVARIYPTNGYTRYADSVKGRFTISADTSKNTAYLQMNSLRAEDTAVYYCSRWGGDGFYAMDYWGQGTLVTVSSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKKVEP
input PDB
Selected Chain(s) A,H,C,B,D
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:53)
Show buried residues

Minimal score value
-3.8986
Maximal score value
2.3354
Average score
-0.7052
Total score value
-1171.2615

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
28 V A 1.3842
29 C A 0.0000
30 P A 0.0433
31 G A 0.2978
32 T A 0.5363
33 L A 1.2062
34 N A 0.1749
35 G A 0.0364
36 L A 0.0000
37 S A 0.0000
38 V A 0.0000
39 T A 0.0000
40 G A -2.2538
41 D A -2.8153
42 A A -2.0562
43 E A -2.9001
44 N A -2.3603
45 Q A -1.6442
46 Y A -1.7823
47 Q A -1.6042
48 T A -1.1459
49 L A 0.0000
50 Y A -1.3365
51 K A -1.9962
52 L A -0.7758
53 Y A 0.0000
54 E A -2.0894
55 R A -2.0664
56 C A 0.0000
57 E A -0.6819
58 V A 0.4212
59 V A 0.0000
60 M A 0.2149
61 G A 0.0000
62 N A 0.0000
63 L A 0.0000
64 E A 0.0000
65 I A 0.0000
66 V A 0.0000
67 L A -0.0926
68 T A 0.0000
69 G A -1.5421
70 H A -2.0208
71 N A -2.4176
72 A A -2.1330
73 D A -2.2202
74 L A 0.0000
75 S A -0.8319
76 F A 0.0000
77 L A 0.0000
78 Q A -1.0698
79 W A -0.7409
80 I A 0.0000
81 R A -1.4111
82 E A 0.0000
83 V A 0.0000
84 T A -0.1509
85 G A 0.0000
86 Y A 0.0000
87 V A 0.0000
88 L A 0.0000
89 V A 0.0000
90 A A 0.0000
91 M A 0.0000
92 N A 0.0000
93 E A -1.0459
94 F A 0.0000
95 S A -1.0526
96 T A -0.7827
97 L A 0.0000
98 P A -0.7407
99 L A 0.0000
100 P A -1.0254
101 N A -1.3737
102 L A 0.0000
103 R A -1.3169
104 V A 0.0000
105 V A 0.0000
106 R A -0.5635
107 G A 0.0000
108 T A -0.3176
109 Q A -0.3523
110 V A -0.4744
111 Y A -0.5834
112 D A -1.2656
113 G A -1.4274
114 K A -2.2858
115 F A 0.0000
116 A A 0.0000
117 I A 0.0000
118 F A 0.0000
119 V A 0.0000
120 M A 0.0000
121 L A -0.3564
122 N A 0.0000
123 Y A -0.9572
124 N A -1.0235
125 T A -1.0344
126 N A -1.6333
127 S A -1.3025
128 S A -0.9962
129 H A -1.3425
130 A A 0.0000
131 L A 0.0000
132 R A -1.4914
133 Q A -1.0614
134 L A 0.0000
135 R A -1.5518
136 L A 0.0000
137 T A -1.0497
138 Q A -1.0643
139 L A 0.0000
140 T A -0.5264
141 E A 0.0000
142 I A 0.0000
143 L A 0.0000
144 S A -1.0592
145 G A -1.6407
146 G A 0.0000
147 V A 0.0000
148 Y A -0.2544
149 I A 0.0000
150 E A -1.3171
151 K A -1.8158
152 N A 0.0000
153 D A -1.8667
154 K A -1.8973
155 L A 0.0000
156 C A 0.0000
157 H A 0.0000
158 M A 0.0000
159 D A -2.2078
160 T A -1.5731
161 I A 0.0000
162 D A -1.3992
163 W A 0.0000
164 R A -2.1709
165 D A 0.0000
166 I A 0.0000
167 V A 0.0000
168 R A -2.5962
169 D A -3.2922
170 R A -3.8986
171 D A -3.5172
172 A A -3.1305
173 E A -2.7738
174 I A -1.1920
175 V A -0.5134
176 V A -1.1290
177 K A -2.2952
178 D A -2.3960
179 N A -2.3188
180 G A -2.3397
181 R A -2.2894
182 S A -1.2423
183 C A -0.8193
184 P A -0.4992
185 P A -0.8169
186 C A -1.1200
187 H A -1.6054
188 E A -1.9687
189 V A -0.3677
190 C A 0.0000
191 K A -2.1639
192 G A -1.9643
193 R A -1.8340
194 C A 0.0000
195 W A 0.0000
196 G A 0.0000
197 P A -1.0021
198 G A -1.0640
199 S A -1.1157
200 E A -1.9239
201 D A 0.0000
202 C A -1.2135
203 Q A -1.0264
204 T A -0.1081
205 L A 0.2031
206 T A 0.2975
207 K A -0.5109
208 T A -0.0847
209 I A 0.9730
210 C A 0.1029
211 A A 0.0000
212 P A -0.6745
213 Q A 0.0000
214 C A 0.0000
215 N A -1.7085
216 G A -1.2633
217 H A 0.0000
218 C A 0.0000
219 F A 0.4388
220 G A -0.0343
221 P A -0.3173
222 N A -0.8384
223 P A -1.1438
224 N A -1.3320
225 Q A -0.7776
226 C A -0.9840
227 C A 0.0000
228 H A -1.7256
229 D A -2.2758
230 E A 0.0000
231 C A 0.0000
232 A A 0.0000
233 G A 0.0000
234 G A -0.0244
235 C A -0.1294
236 S A -0.2696
237 G A 0.0000
238 P A -1.4068
239 Q A -1.9716
240 D A -1.6970
241 T A -1.1184
242 D A -0.9860
243 C A -0.6122
244 F A 0.0649
245 A A -0.3842
246 C A -0.7376
247 R A -1.1754
248 H A -1.0498
249 F A 0.0000
250 N A -0.9527
251 D A -0.7704
252 S A -0.5219
253 G A -0.8015
254 A A -0.9357
255 C A 0.0000
256 V A -0.7563
257 P A -0.7727
258 R A -0.7291
259 C A 0.0000
260 P A -0.5692
261 Q A -0.4798
262 P A -0.5736
263 L A -0.0795
264 V A 0.4849
265 Y A 0.0302
266 N A -0.5573
267 K A -0.5197
268 L A 0.0000
269 T A -0.3129
270 F A 0.0000
271 Q A -0.4980
272 L A 0.0000
273 E A -1.2980
274 P A -0.8374
275 N A -0.9187
276 P A -1.0286
277 H A -1.4067
278 T A -0.9372
279 K A -0.5579
280 Y A 0.0143
281 Q A -0.0339
282 Y A 0.2501
283 G A -0.1682
284 G A -0.1920
285 V A 0.4510
286 C A 0.1914
287 V A 0.2912
288 A A -0.1358
289 S A -0.2220
290 C A 0.0000
291 P A -0.4829
292 H A -1.2870
293 N A -0.8436
294 F A 0.0000
295 V A 0.0000
296 V A 0.0000
297 D A 0.0000
298 Q A -0.8473
299 T A 0.0000
300 S A 0.0000
301 C A 0.0000
302 V A 0.0000
303 R A -0.5516
304 A A -0.5180
305 C A -0.6463
306 P A -0.9669
307 P A -1.1363
308 D A -2.0875
309 K A -1.4079
310 M A -0.6765
311 E A -0.8301
312 V A -1.1231
313 D A -2.8249
314 K A -2.9047
315 N A -2.5367
316 G A -2.0466
317 L A -1.8258
318 K A -2.1554
319 M A -1.1417
320 C A -0.8432
321 E A -1.0593
322 P A -1.1612
327 C A -0.4101
328 P A -1.0195
329 K A -1.9962
330 A A -1.1863
331 C A 0.0000
332 E A -1.9880
333 G A 0.0000
334 T A 0.0000
335 G A -0.9783
336 S A -0.9399
337 G A -1.2887
338 S A -1.7136
339 R A -2.3585
340 F A -1.5764
341 Q A -1.6547
342 T A 0.0000
343 V A 0.0000
344 D A 0.0000
345 S A -1.0243
346 S A -1.0415
347 N A -1.0273
348 I A 0.0000
349 D A -1.7451
350 G A -1.2862
351 F A 0.0000
352 V A -0.3096
353 N A -1.3620
354 C A 0.0000
355 T A -1.4294
356 K A -1.6892
357 I A 0.0000
358 L A -0.7556
359 G A -0.6774
360 N A 0.0000
361 L A 0.0000
362 D A 0.0000
363 F A 0.0000
364 L A 0.0000
365 I A -0.0926
366 T A 0.0000
367 G A 0.0000
368 L A -0.7559
369 N A -1.3863
370 G A -1.1517
371 D A 0.0000
372 P A -1.3135
373 W A -1.1019
374 H A -1.6254
375 K A -2.0854
376 I A -1.1641
377 P A -1.1510
378 A A -1.1289
379 L A 0.0000
380 D A -2.7199
381 P A -2.3226
382 E A -2.7375
383 K A -2.4242
384 L A 0.0000
385 N A -1.3899
386 V A -1.0573
387 F A 0.0000
388 R A -1.6713
389 T A -1.3694
390 V A 0.0000
391 R A -2.0181
392 E A -1.3724
393 I A 0.0000
394 T A 0.0000
395 G A 0.0000
396 Y A 0.0000
397 L A 0.0000
398 N A 0.0000
399 I A 0.0000
400 Q A 0.0000
401 S A -0.1007
402 W A 0.0000
403 P A 0.0000
404 P A -0.8562
405 H A -1.4176
406 M A -1.2200
407 H A -1.4436
408 N A -1.0722
409 F A 0.0000
410 S A -0.8326
411 V A 0.0000
412 F A 0.0000
413 S A -1.1591
414 N A -1.5343
415 L A 0.0000
416 T A -1.5100
417 T A -1.2076
418 I A 0.0000
419 G A 0.0000
420 G A 0.0000
421 R A 0.0000
422 S A -0.3875
423 L A -0.5625
424 Y A -0.8597
425 N A -1.6941
426 R A -1.8355
427 G A -1.1918
428 F A -0.6612
429 S A 0.0000
430 L A 0.0000
431 L A 0.0000
432 I A 0.0000
433 M A 0.0000
434 K A -0.8497
435 N A 0.0000
436 L A -0.4736
437 N A -1.1867
438 V A 0.0000
439 T A -0.9571
440 S A 0.0000
441 L A 0.0000
442 G A 0.0000
443 F A 0.0000
444 R A -1.3853
445 S A -1.4145
446 L A 0.0000
447 K A -2.2417
448 E A -1.7595
449 I A 0.0000
450 S A -1.0446
451 A A -0.7069
452 G A -0.7460
453 R A -1.4372
454 I A 0.0000
455 Y A 0.0000
456 I A 0.0000
457 S A 0.0000
458 A A -1.3587
459 N A 0.0000
460 R A -2.3569
461 Q A -1.5658
462 L A 0.0000
463 C A 0.0000
464 Y A 0.0000
465 H A 0.0000
466 H A -0.3999
467 S A -0.3095
468 L A 0.0000
469 N A -1.0425
470 W A 0.0000
471 T A -1.4615
472 K A -1.9645
473 V A 0.0000
474 L A 0.0000
475 R A -1.6571
476 G A -1.4766
477 P A -1.5665
478 T A 0.0000
479 E A -2.9574
480 E A -3.0935
481 R A -2.1754
482 L A -1.6506
483 D A -2.0491
484 I A -1.0939
485 K A -2.3105
486 H A -2.3014
487 N A -2.2613
488 R A -2.4608
489 P A -2.4661
490 R A -2.7796
491 R A -2.8161
492 D A -2.2607
493 C A 0.0000
494 V A -0.1096
495 A A -1.1195
496 E A -2.0885
497 G A -0.6921
498 K A -0.5985
499 V A 0.7528
500 C A 0.3400
501 D A -0.3552
502 P A -0.3887
503 L A -0.6463
504 C A 0.0000
505 S A -0.9381
506 S A -0.6186
507 G A 0.0000
508 G A -0.2193
509 C A 0.0000
510 W A 0.0000
511 G A 0.0000
512 P A -0.1272
513 G A -0.1269
514 P A -0.0806
515 G A -0.3506
516 Q A -0.5217
517 C A -0.3549
518 L A -0.4207
519 S A -0.4068
520 C A -0.9521
521 R A -2.2422
522 N A -1.8158
523 Y A -1.3009
524 S A -1.0432
525 R A -0.7558
526 G A -0.6920
527 G A -0.6367
528 V A 0.1165
529 C A 0.0000
530 V A -0.5590
531 T A -0.8490
532 H A -1.4122
533 C A 0.0000
534 N A -0.8874
535 F A -0.4945
536 L A -0.4538
537 N A -1.8807
538 G A -1.7617
539 E A -2.2209
540 P A -1.4224
541 R A 0.0000
542 E A 0.0000
543 F A -0.0109
544 A A -0.7652
545 H A -1.6718
546 E A -2.1603
547 A A -1.5942
548 E A -1.2727
549 C A 0.0000
550 F A 0.0250
551 S A -0.0932
552 C A 0.0000
553 H A -0.9599
554 P A -0.6815
555 E A -0.9514
556 C A 0.0000
557 Q A -1.2229
558 P A -1.3658
559 M A -1.1772
560 E A -2.0536
561 G A -1.2116
562 T A -0.5863
563 A A -0.3942
564 T A 0.0000
565 C A 0.0000
566 N A -1.4746
567 G A 0.0000
568 S A -0.8033
569 G A -1.2995
570 S A -1.5879
571 D A -2.5747
572 T A -1.6633
573 C A -1.4407
574 A A -1.0445
575 Q A -1.6446
576 C A -1.4270
577 A A -0.9493
578 H A -1.3305
579 F A -1.2776
580 R A -2.1982
581 D A -1.5078
582 G A -1.4670
583 P A -1.4968
584 H A -1.7526
585 C A 0.0000
586 V A -0.7283
587 S A -0.5514
588 S A -0.7044
589 C A 0.0000
590 P A -0.1522
591 H A -0.5828
592 G A 0.0426
593 V A 1.3397
594 L A 1.4921
595 G A 0.2075
596 A A -0.5849
597 K A -1.3848
598 G A -0.2866
599 P A 0.1234
600 I A 0.0062
601 Y A -0.4946
602 K A -1.2431
603 Y A -1.4329
604 P A -1.4588
605 D A -1.4205
606 V A 0.3782
607 Q A -1.3081
608 N A -1.6370
609 E A -1.9671
610 C A 0.0000
611 R A -1.7581
612 P A -1.1292
613 C A -1.7112
614 H A -2.1568
615 E A -2.4916
616 N A -2.2208
617 C A -1.2208
618 T A -0.8002
619 Q A -1.1207
620 G A 0.0000
621 C A 0.0000
622 K A -1.9782
623 G A 0.0000
624 P A -1.7627
625 E A -2.1232
626 L A -1.0569
627 Q A -1.4921
628 D A -1.4827
629 C A -0.7991
630 L A 0.7012
177 S H -0.4082
178 H H 0.0000
179 L H 0.0719
180 V H -0.0556
181 K H -1.9172
182 C H 0.0000
183 A H -2.2743
184 E H -3.4416
185 K H -3.1706
186 E H -2.5395
187 K H -3.0865
188 T H -1.7647
189 F H -1.0515
190 C H 0.0000
191 V H -0.4906
192 N H -0.6588
193 G H -0.9669
194 G H -1.4527
195 E H -1.9573
196 C H 0.0000
197 F H 0.0000
198 M H 0.0000
199 V H -0.7342
200 K H -1.7363
203 S H -1.4386
204 N H -1.7732
205 P H -1.0274
206 S H -0.9490
207 R H -0.7125
208 Y H -0.1617
209 L H 0.0000
210 C H 0.0000
211 K H -1.7663
212 C H 0.0000
213 P H -1.6270
214 N H -2.0435
215 E H -1.1357
216 F H 0.0000
217 T H -0.3495
218 G H -0.1069
219 D H -0.4997
220 R H 0.0000
221 C H 0.0000
222 Q H 0.0000
223 N H -0.1838
224 Y H 0.0437
225 V H 0.4967
226 M H 0.3563
227 A H -0.1585
24 Q B -1.2214
25 V B 0.1084
26 C B 0.0000
27 T B 0.1287
28 G B 0.0000
29 T B 0.0000
30 D B -1.9965
31 M B 0.0000
32 K B -1.8613
33 L B -0.8618
34 R B -1.4028
35 L B 0.5918
36 P B 0.0827
37 A B -0.1961
38 S B 0.0000
39 P B -0.9027
40 E B -2.1178
41 T B -1.4915
42 H B 0.0000
43 L B -1.0144
44 D B -1.8508
45 M B 0.0000
46 L B 0.0000
47 R B -2.6702
48 H B -1.7392
49 L B 0.0000
50 Y B 0.0000
51 Q B -2.5442
52 G B -1.7255
53 C B 0.0000
54 Q B -1.4352
55 V B -0.2693
56 V B 0.0000
57 Q B 0.0000
58 G B -0.4199
59 N B 0.0000
60 L B 0.0000
61 E B 0.0000
62 L B 0.0000
63 T B 0.0000
64 Y B 0.0245
65 L B 0.0000
66 P B -0.7809
67 T B -1.3684
68 N B -1.7300
69 A B -1.0523
70 S B -0.9316
71 L B 0.0000
72 S B -1.0676
73 F B 0.0000
74 L B 0.0000
75 Q B -1.9612
76 D B -2.4004
77 I B 0.0000
78 Q B -1.3281
79 E B -0.6515
80 V B 0.0000
81 Q B 0.0000
82 G B 0.0000
83 Y B 0.0000
84 V B 0.0000
85 L B 0.0000
86 I B 0.0000
87 A B 0.0000
88 H B -0.8356
89 N B 0.0000
90 Q B -1.5769
91 V B 0.0000
92 R B -2.1876
93 Q B -2.0575
94 V B 0.0000
95 P B -1.1469
96 L B 0.0000
97 Q B -1.8167
98 R B -2.4258
99 L B 0.0000
100 R B -1.0547
101 I B 0.0000
102 V B 0.0000
103 R B 0.0000
104 G B 0.0000
105 T B -0.6068
106 Q B -1.0529
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172 T D -0.2256
173 F D 0.0000
174 P D -0.4473
175 A D 0.1726
176 V D 0.5277
177 L D 1.1821
178 Q D 0.2277
179 S D -0.1502
180 S D -0.2338
181 G D -0.0685
182 L D -0.0479
183 Y D 0.2652
184 S D -0.0474
185 L D 0.0000
186 S D 0.0000
187 S D 0.0000
188 V D 0.0000
189 V D 0.0000
190 T D -0.1995
191 V D 0.0000
192 P D -0.5221
193 S D -0.5277
194 S D -0.5080
195 S D -0.4808
196 L D -0.6119
197 G D -1.0012
198 T D -0.7832
199 Q D -1.0027
200 T D -0.9025
201 Y D 0.0000
202 I D -1.2032
203 C D 0.0000
204 N D -1.4183
205 V D 0.0000
206 N D -2.2077
207 H D 0.0000
208 K D -2.7851
209 P D -1.7326
210 S D -1.9599
211 N D -2.5705
212 T D -2.0658
213 K D -2.5805
214 V D -1.3467
215 D D -2.2568
216 K D -1.9613
217 K D -2.4893
218 V D 0.0000
219 E D -2.1199
220 P D -1.0963
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Laboratory of Theory of Biopolymers 2018