Project name: aa36a47e0a944f

Status: done

Started: 2026-04-16 15:06:00
Settings
Chain sequence(s) A: MGGAPSREATVVYSYLRGTYEIGLIPLTSAFFGRPSGRGEHEGENVLRGHFLQMREDLFAACTLPTRNKVLSWTEIVPNRFTGEDLDAFLEIVDKRLYPTNAAMVADKNSPLLPVPCAVCLVCKDGRERRGSFRWRGRNIVIIGYFGCMDEKLDAAFKTEKRTPRQGMYSITAAVFPSIGDRTFDRVLALAPVMLRGQFVGSVLQLRRGGGEFATPLSERGEMVDVSSEAPSLGAGIGGVVGQSDGLIHEDSAVDSAFEMFVERVSQMSVFVEVVSDNYSSLKSLVENVAFIQIHTQAEPKQCTLDLPPIVQNAFNRTTTASSCEKKADAEGHHAEKSPPQRSSAMEQGSSCCTVQGVSCSLERDDLTDLSSVEPEGSSHLSKVPTEDGGSFHFCTEIVRVHFNERYVSLAIQWLSSFFRKPTLLENGYWVHYCLKKEEEVIRRILCHRDTIVSGWRTSHPELANQYMGDGTDKLLEHVRILQHELQQARKAAEEPTLRKKASTPPTLPCPNTTSMAVLAPPPPPHVMPYAVPPLPSPVYFVQQQPVGNPMFVSLLPFQQVQQVPQVQQIPQFQQVPQIQPLQQISHVQQIPQLQQTQPVQSISHVQQISHVQPIHQVQQISHVQPMPLYHLQPPELQQPSVCYLPFGDGGALPPSYVIPSSLS
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:35)
Show buried residues

Minimal score value
-4.6852
Maximal score value
3.4869
Average score
-0.5778
Total score value
-383.643

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
1 M A 0.0000
2 G A 0.0000
3 G A 0.0000
4 A A 0.0000
5 P A 0.0000
6 S A 0.0000
7 R A -2.0173
8 E A -2.1055
9 A A -0.9934
10 T A -0.3877
11 V A 0.5268
12 V A 0.0000
13 Y A 0.0000
14 S A 0.0000
15 Y A 0.0000
16 L A -0.2099
17 R A 0.0000
18 G A -0.4510
19 T A -0.0562
20 Y A 0.3071
21 E A 0.0000
22 I A 0.0000
23 G A 0.0000
24 L A 0.0000
25 I A 0.0000
26 P A 0.0000
27 L A 0.0000
28 T A 0.0000
29 S A -1.1151
30 A A -0.6985
31 F A 0.0000
32 F A 0.0000
33 G A -1.5887
34 R A -2.4866
35 P A -2.6879
36 S A -1.7059
37 G A -2.4289
38 R A -3.1526
39 G A -3.0453
40 E A -3.5550
41 H A -3.7300
42 E A -3.5579
43 G A -2.2451
44 E A -2.0111
45 N A -2.0876
46 V A -0.9160
47 L A 0.0000
48 R A 0.0000
49 G A -0.7041
50 H A -0.8275
51 F A 0.0000
52 L A -1.1648
53 Q A -1.8064
54 M A 0.0000
55 R A 0.0000
56 E A -2.1905
57 D A -1.7313
58 L A 0.0000
59 F A -0.4755
60 A A -0.2363
61 A A 0.0000
62 C A 0.0000
63 T A 0.6943
64 L A 1.1950
65 P A -0.0710
66 T A -0.7135
67 R A -1.5430
68 N A -2.3601
69 K A -2.1833
70 V A 0.0000
71 L A 0.0000
72 S A 0.0000
73 W A 0.0000
74 T A 0.0000
75 E A 0.0000
76 I A 0.0000
77 V A 0.1181
78 P A 0.0000
79 N A -1.7377
80 R A -2.3952
81 F A 0.0000
82 T A -1.6130
83 G A -1.4127
84 E A -2.1188
85 D A -1.7448
86 L A 0.0000
87 D A -1.9069
88 A A -1.2549
89 F A 0.0000
90 L A 0.0000
91 E A -2.4773
92 I A -1.7344
93 V A 0.0000
94 D A -2.1482
95 K A -2.6666
96 R A -2.0844
97 L A 0.0000
98 Y A -1.0315
99 P A -1.1638
100 T A -0.8907
101 N A -0.7956
102 A A -0.2239
103 A A -0.0883
104 M A 0.0000
105 V A -0.1653
106 A A -0.6847
107 D A -1.5124
108 K A -2.7632
109 N A -2.5379
110 S A -1.3530
111 P A -1.1189
112 L A 0.0000
113 L A -0.0239
114 P A 0.0000
115 V A 0.0000
116 P A 0.0000
117 C A 0.0000
118 A A 0.0000
119 V A 0.0000
120 C A 0.0000
121 L A 0.0000
122 V A 0.0000
123 C A 0.0000
124 K A -2.2302
125 D A -3.0765
126 G A -3.2304
127 R A -4.0766
128 E A -4.6852
129 R A -4.1705
130 R A -3.3018
131 G A -2.1630
132 S A -2.5876
133 F A 0.0000
134 R A -2.3135
135 W A 0.0000
136 R A -1.0638
137 G A -1.4782
138 R A -1.8278
139 N A 0.0000
140 I A 0.0000
141 V A -0.9960
142 I A 0.0000
143 I A 0.0000
144 G A 0.0000
145 Y A 0.0000
146 F A 0.0000
147 G A 0.0000
148 C A 0.0000
149 M A 0.0000
150 D A -1.6770
151 E A -2.9820
152 K A -2.4735
153 L A 0.0000
154 D A 0.0000
155 A A -1.4634
156 A A -1.2422
157 F A 0.0000
158 K A -1.5296
159 T A 0.0000
160 E A -1.7595
161 K A -1.5319
162 R A -1.6686
163 T A -1.4755
164 P A -1.6381
165 R A -2.1028
166 Q A -2.1268
167 G A -1.4884
168 M A -1.1951
169 Y A -0.5530
170 S A 0.0000
171 I A 0.0000
172 T A 0.0000
173 A A 0.0000
174 A A 0.0000
175 V A 0.0000
176 F A -0.3161
177 P A -1.0509
178 S A -0.5893
179 I A -0.2971
180 G A -1.1635
181 D A -2.2518
182 R A -1.6809
183 T A 0.0000
184 F A 0.0000
185 D A 0.0000
186 R A -0.2924
187 V A 0.0000
188 L A 0.0000
189 A A 0.0000
190 L A 0.0000
191 A A 0.0000
192 P A 0.0000
193 V A 0.0000
194 M A 0.0000
195 L A 0.0000
196 R A -0.2189
197 G A -0.3983
198 Q A 0.0000
199 F A 0.0000
200 V A -0.1278
201 G A -0.2004
202 S A 0.0000
203 V A 0.0000
204 L A -0.9743
205 Q A -1.5126
206 L A -1.1129
207 R A -2.1774
208 R A -2.5583
209 G A -2.1082
210 G A -1.7306
211 G A -1.5252
212 E A -1.3361
213 F A 0.7418
214 A A 0.4614
215 T A 0.5006
216 P A 0.3539
217 L A 0.5344
218 S A -1.2054
219 E A -2.7331
220 R A -3.1708
221 G A -2.2397
222 E A -1.9817
223 M A 0.4466
224 V A 1.3158
225 D A -0.0909
226 V A 1.0868
227 S A -0.0792
228 S A -0.8912
229 E A -1.7510
230 A A -0.6308
231 P A -0.4409
232 S A 0.0410
233 L A 1.1014
234 G A 0.6814
235 A A 0.6055
236 G A 0.1957
237 I A 0.7537
238 G A 0.1033
239 G A 1.0913
240 V A 1.9944
241 V A 1.9184
242 G A 0.1613
243 Q A -1.1368
244 S A -1.1535
245 D A -1.6929
246 G A -0.8674
247 L A 0.4349
248 I A 0.9035
249 H A -0.8815
250 E A -1.5178
251 D A -2.0506
252 S A -1.3885
253 A A 0.0000
254 V A -1.0503
255 D A -2.2163
256 S A -1.2427
257 A A 0.0000
258 F A -0.6724
259 E A -1.5363
260 M A -1.1792
261 F A 0.0000
262 V A -0.9753
263 E A -2.4141
264 R A 0.0000
265 V A 0.0000
266 S A -1.7927
267 Q A -1.8370
268 M A 0.0000
269 S A -1.2855
270 V A 0.0000
271 F A 0.0000
272 V A 0.0000
273 E A 0.0000
274 V A 0.0000
275 V A -0.4217
276 S A 0.0000
277 D A -2.0379
278 N A -1.5981
279 Y A -1.5587
280 S A -1.3485
281 S A 0.0000
282 L A 0.0000
283 K A -1.0820
284 S A -0.8461
285 L A 0.0000
286 V A 0.0000
287 E A -0.6813
288 N A -0.4067
289 V A 0.0000
290 A A 0.0000
291 F A 0.0000
292 I A 0.0120
293 Q A 0.0000
294 I A -0.1219
295 H A -0.3633
296 T A -0.7317
297 Q A -1.5614
298 A A 0.0000
299 E A -2.9068
300 P A -2.3600
301 K A -2.7956
302 Q A -2.3386
303 C A 0.0000
304 T A -0.9281
305 L A -0.4087
306 D A -0.4869
307 L A -0.5319
308 P A 0.0000
309 P A -0.5690
310 I A -0.4601
311 V A 0.0000
312 Q A -1.3632
313 N A -1.4505
314 A A 0.0000
315 F A -0.4594
316 N A -1.4507
317 R A -1.0567
318 T A -0.5738
319 T A -0.4647
320 T A -0.6281
321 A A -0.8902
322 S A -1.3526
323 S A -1.5596
324 C A -1.6450
325 E A -3.3015
326 K A -3.9791
327 K A -3.8967
328 A A -3.1362
329 D A -3.7163
330 A A -3.1522
331 E A -3.4824
332 G A -2.5605
333 H A -2.1414
334 H A -2.4073
335 A A -1.9707
336 E A -2.9068
337 K A -2.8327
338 S A -1.6184
339 P A -1.0882
340 P A -1.3993
341 Q A -2.3096
342 R A -2.6268
343 S A -1.4816
344 S A -0.4896
345 A A 0.0408
346 M A -0.2864
347 E A -1.8971
348 Q A -2.1715
349 G A -1.5472
350 S A -0.6421
351 S A 0.1072
352 C A 0.8689
353 C A 1.3917
354 T A 0.9782
355 V A 1.1837
356 Q A -0.2192
357 G A 0.0565
358 V A 1.3430
359 S A 0.7166
360 C A 1.2322
361 S A 0.4296
362 L A 0.1479
363 E A -2.2530
364 R A -3.6867
365 D A -3.6914
366 D A -2.3559
367 L A -0.0899
368 T A -0.3277
369 D A -0.7915
370 L A 0.5176
371 S A 0.4953
372 S A 0.4899
373 V A 0.4831
374 E A -1.6998
375 P A -1.8124
376 E A -2.5591
377 G A -1.8808
378 S A -1.1012
379 S A -0.7266
380 H A -0.7768
381 L A 0.8007
382 S A 0.0843
383 K A -0.2894
384 V A 1.1123
385 P A -0.4263
386 T A -1.3315
387 E A -2.8128
388 D A -3.1094
389 G A -1.8006
390 G A -1.1584
391 S A -0.1611
392 F A 1.7997
393 H A 0.9962
394 F A 2.4145
395 C A 1.6111
396 T A 0.4141
397 E A -0.2583
398 I A -0.3639
399 V A 0.0000
400 R A 0.0000
401 V A 0.0000
402 H A 0.0000
403 F A 0.0000
404 N A -2.0322
405 E A -2.5865
406 R A -2.8934
407 Y A 0.0000
408 V A 0.0000
409 S A 0.0000
410 L A -0.5947
411 A A 0.0000
412 I A 0.0000
413 Q A -0.2099
414 W A 0.0105
415 L A 0.0000
416 S A 0.0000
417 S A -0.5595
418 F A 0.0000
419 F A 0.0000
420 R A -2.5388
421 K A -2.2945
422 P A -0.7344
423 T A -0.2042
424 L A 0.9969
425 L A -0.0571
426 E A -1.6162
427 N A -1.2010
428 G A -0.3235
429 Y A 0.4681
430 W A 0.0000
431 V A 0.0000
432 H A 0.2502
433 Y A 0.0000
434 C A 0.0000
435 L A 0.0000
436 K A -2.6826
437 K A -2.7990
438 E A 0.0000
439 E A -2.9251
440 E A -2.8368
441 V A -0.7970
442 I A -1.3040
443 R A -2.2198
444 R A -2.2141
445 I A 0.0000
446 L A 0.0000
447 C A -0.3980
448 H A -1.1727
449 R A 0.0000
450 D A -1.1237
451 T A -0.6750
452 I A -0.4298
453 V A 0.0000
454 S A -0.6852
455 G A -0.6898
456 W A -0.5376
457 R A -1.1520
458 T A -0.9107
459 S A -1.0124
460 H A -1.6200
461 P A -1.7706
462 E A -2.5312
463 L A -1.6090
464 A A 0.0000
465 N A -2.4091
466 Q A -2.4916
467 Y A 0.0000
468 M A 0.0000
469 G A 0.0000
470 D A -2.5422
471 G A -1.6922
472 T A 0.0000
473 D A -1.8199
474 K A -1.5128
475 L A 0.0000
476 L A -0.9031
477 E A -1.2363
478 H A 0.0000
479 V A 0.0000
480 R A -2.5966
481 I A -1.7249
482 L A 0.0000
483 Q A -2.7166
484 H A -3.3309
485 E A -3.6840
486 L A -2.9716
487 Q A -3.4594
488 Q A -3.8462
489 A A -3.0391
490 R A -4.2844
491 K A -4.4243
492 A A -2.9254
493 A A -2.6522
494 E A -3.7309
495 E A -3.5692
496 P A -2.4914
497 T A -2.0016
498 L A -1.5011
499 R A -3.2043
500 K A -3.2522
501 K A -2.6691
502 A A -1.7150
503 S A -1.6184
504 T A -1.2632
505 P A -0.2836
506 P A -0.0749
507 T A 0.5030
508 L A 1.4348
509 P A 0.5632
510 C A 0.5317
511 P A -0.4396
512 N A -1.3302
513 T A -0.6395
514 T A -0.2828
515 S A 0.3449
516 M A 1.5614
517 A A 1.7723
518 V A 2.7775
519 L A 2.4719
520 A A 1.0402
521 P A 0.1523
522 P A -0.3928
523 P A -0.7378
524 P A -0.5890
525 P A -0.3539
526 H A -0.0944
527 V A 1.8314
528 M A 1.8555
529 P A 1.4975
530 Y A 2.2008
531 A A 1.5215
532 V A 2.1411
533 P A 0.9967
534 P A 0.7268
535 L A 1.3941
536 P A 0.4805
537 S A 0.5402
538 P A 1.1977
539 V A 2.9218
540 Y A 3.3665
541 F A 3.3979
542 V A 2.2270
543 Q A -0.5451
544 Q A -1.4814
545 Q A -1.6539
546 P A -0.6232
547 V A 0.7086
548 G A -0.3455
549 N A -0.7814
550 P A 0.4639
551 M A 1.8928
552 F A 3.2476
553 V A 3.4869
554 S A 2.5627
555 L A 3.1110
556 L A 2.6748
557 P A 1.3365
558 F A 1.7847
559 Q A -0.4430
560 Q A -0.9794
561 V A 0.5587
562 Q A -1.0304
563 Q A -0.9221
564 V A 0.9556
565 P A -0.1480
566 Q A -0.7039
567 V A 0.7202
568 Q A -0.8204
569 Q A -0.7851
570 I A 1.1872
571 P A 0.0017
572 Q A -0.5600
573 F A 0.8793
574 Q A -0.7975
575 Q A -0.8587
576 V A 0.9836
577 P A -0.0812
578 Q A -0.4403
579 I A 1.1231
580 Q A -0.4533
581 P A -0.2087
582 L A 0.7693
583 Q A -0.7696
584 Q A -0.6573
585 I A 1.1951
586 S A 0.1012
587 H A -0.3508
588 V A 0.8375
589 Q A -0.7340
590 Q A -0.6867
591 I A 1.1530
592 P A 0.1903
593 Q A -0.5481
594 L A 0.2771
595 Q A -1.3107
596 Q A -1.7760
597 T A -1.5682
598 Q A -1.2547
599 P A -0.2573
600 V A 0.9985
601 Q A -0.0455
602 S A 0.3796
603 I A 1.7046
604 S A 0.3695
605 H A -0.2327
606 V A 0.8777
607 Q A -0.7573
608 Q A -0.6854
609 I A 1.2191
610 S A 0.0498
611 H A -0.1958
612 V A 1.1005
613 Q A -0.3689
614 P A 0.0532
615 I A 1.2477
616 H A -0.5512
617 Q A -0.8042
618 V A 0.5969
619 Q A -0.8671
620 Q A -0.6764
621 I A 1.2296
622 S A 0.0542
623 H A -0.1946
624 V A 1.0047
625 Q A -0.5096
626 P A 0.1364
627 M A 1.2445
628 P A 1.0212
629 L A 2.2097
630 Y A 1.9182
631 H A 0.4364
632 L A 0.9299
633 Q A -0.9760
634 P A -0.9367
635 P A -1.1419
636 E A -1.8625
637 L A -0.3563
638 Q A -1.6320
639 Q A -1.5573
640 P A -0.5216
641 S A 0.3889
642 V A 2.1473
643 C A 2.4512
644 Y A 2.9791
645 L A 2.6233
646 P A 1.8565
647 F A 1.7130
648 G A -0.3784
649 D A -1.9263
650 G A -1.7075
651 G A -0.7178
652 A A 0.4223
653 L A 1.2782
654 P A 0.4334
655 P A 0.1479
656 S A 0.7030
657 Y A 2.5061
658 V A 3.3262
659 I A 2.9343
660 P A 1.0373
661 S A 0.3452
662 S A 0.5198
663 L A 1.2846
664 S A 0.6126
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Laboratory of Theory of Biopolymers 2018