Project name: 90dd6495fca5258

Status: done

Started: 2026-07-29 18:34:31
Settings
Chain sequence(s) A: MNRNNQNEYEVIDAPHCGCPADDVVKYPLTDDPNAGLQNMNYKEYLQTYGGDYTDPLINPNLSVSGKDVIQVGINIVGRLLSFFGFPFSSQWVTVYTYLLNSLWPDDENSVWDAFMERVEELIDQKISEAVKGRALDDLTGLQYNYNLYVEALDEWLNRPNGARASLVSQRFNILDSLFTQFMPSFGSGPGSQNYATILLPVYAQAANLHLLLLKDADIYGARWGLNQTQIDQFHSRQQSLTQTYTNHCVTAYNDGLAELRGTTAESWFKYNQYRREMTLTAMDLVALFPYYNLRQYPDGTNPQLTREVYTDPIAFDPLEQPTTQLCRSWYINPAFRNHLNFSVLENSLIRPPHLFERLSNLQILVNYQTNGSAWRGSRVRYHYLHSSIIQEKSYGLLSDPVGANINVQNNDIYQIISQVSNFASPVGSSYSVWDTNFYLSSGQVSGISGYTQQGIPAVCLQQRNSTDELPSLNPEGDIIRNYSHRLSHITQYRFQATQSGSPSTVSANLPTCVWTHRDVDLDNNTINSDSITQIPLVKAFNLPSGASVVRGPGFTGGDILQRTNTGTFGDIRVNINPPFAQRYRLRIRYASTTNLEFHTSINGKAINQGNFSATMNRGEDLDYKAFRTVGFTTPFSFSNAQSTFTIGAWNFSLGNEVYIDRIEFVPVEVTYEAEYDLKKAQDEITAMFTSTNLRRLKTNVTDCHIDQVSNLVESLSDEFYLDEKRELFEIVKYAKQLNIERNM
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                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:03:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:35)
Show buried residues

Minimal score value
-4.1878
Maximal score value
2.3376
Average score
-0.6833
Total score value
-508.4047

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 -0.1603
2 N A -2.1934
3 R A -3.3668
4 N A -3.4337
5 N A -3.3645
6 Q A -3.2810
7 N A -2.8828
8 E A -2.3483
9 Y A -0.2668
10 E A -0.4544
11 V A 1.5083
12 I A 1.7015
13 D A -0.7081
14 A A -0.4730
15 P A -1.0381
16 H A -0.9775
17 C A 0.1036
18 G A -0.1071
19 C A 0.4323
20 P A -0.3859
21 A A -1.0084
22 D A -2.0755
23 D A -1.4603
24 V A 1.0594
25 V A 1.4012
26 K A 0.1794
27 Y A 1.4460
28 P A 0.6038
29 L A 0.8940
30 T A -0.5768
31 D A -2.6244
32 D A -2.9988
33 P A -1.8959
34 N A -1.9967
35 A A -1.7249
36 G A -1.1379
37 L A 0.1657
38 Q A -1.3597
39 N A -1.6534
40 M A -0.7912
41 N A -1.4958
42 Y A -0.9058
43 K A -2.0573
44 E A -1.9001
45 Y A -0.1219
46 L A -0.0903
47 Q A -1.2608
48 T A -0.2852
49 Y A 0.6641
50 G A -0.6152
51 G A -0.9011
52 D A -1.5908
53 Y A -0.1374
54 T A -0.9327
55 D A -1.7719
56 P A -1.0573
57 L A -0.5219
58 I A -0.7130
59 N A -1.3617
60 P A -1.1401
61 N A -0.9393
62 L A 0.5203
63 S A 0.0952
64 V A -0.1836
65 S A -0.6851
66 G A -1.4249
67 K A -1.6790
68 D A -1.0786
69 V A 0.0000
70 I A 0.0000
71 Q A 0.0000
72 V A 0.0000
73 G A 0.0000
74 I A 0.0000
75 N A 0.0000
76 I A 0.0000
77 V A 0.0000
78 G A -0.4215
79 R A -0.1029
80 L A 0.0000
81 L A 0.0000
82 S A 0.1783
83 F A 0.5343
84 F A 0.2847
85 G A 0.0000
86 F A 1.9682
87 P A 1.6603
88 F A 2.2318
89 S A 0.8040
90 S A -0.1178
91 Q A 0.2291
92 W A 0.0000
93 V A 0.0000
94 T A -0.3886
95 V A 0.0000
96 Y A 0.0000
97 T A -0.7510
98 Y A 0.0000
99 L A 0.0000
100 L A 0.0000
101 N A -1.7115
102 S A 0.0000
103 L A 0.0000
104 W A 0.0000
105 P A 0.0000
106 D A -3.4398
107 D A -3.5195
108 E A -3.4839
109 N A -2.0703
110 S A -1.3720
111 V A 0.0000
112 W A 0.0000
113 D A -1.4334
114 A A 0.0000
115 F A 0.0000
116 M A 0.0000
117 E A -2.9881
118 R A -2.1072
119 V A 0.0000
120 E A 0.0000
121 E A -3.4948
122 L A 0.0000
123 I A -2.1076
124 D A -3.2941
125 Q A -3.4158
126 K A -3.4968
127 I A 0.0000
128 S A -1.5479
129 E A -2.4931
130 A A -1.5080
131 V A -1.4700
132 K A -2.1171
133 G A -2.2556
134 R A -2.8766
135 A A 0.0000
136 L A -1.8621
137 D A -2.6033
138 D A -1.7248
139 L A 0.0000
140 T A -1.2346
141 G A -0.2238
142 L A 0.0000
143 Q A 0.0000
144 Y A 0.8462
145 N A 0.2356
146 Y A 0.0000
147 N A -0.5733
148 L A -0.3625
149 Y A 0.0000
150 V A 0.0000
151 E A -2.4354
152 A A 0.0000
153 L A 0.0000
154 D A -2.5040
155 E A -2.9650
156 W A 0.0000
157 L A -1.9309
158 N A -2.7609
159 R A -3.1898
160 P A -2.5125
161 N A -2.2497
162 G A -1.3675
163 A A -0.6612
164 R A -1.5162
165 A A 0.0000
166 S A -1.0254
167 L A -0.5181
168 V A 0.0000
169 S A -1.0359
170 Q A -1.3605
171 R A -1.1268
172 F A 0.0000
173 N A -0.9190
174 I A -0.1179
175 L A 0.0000
176 D A -0.4273
177 S A -0.4026
178 L A -0.2577
179 F A 0.0000
180 T A -0.5107
181 Q A -1.1454
182 F A -0.8558
183 M A 0.0000
184 P A -0.6913
185 S A -1.1496
186 F A 0.0000
187 G A 0.0000
188 S A -0.8797
189 G A 0.0000
190 P A -1.1113
191 G A -1.1089
192 S A 0.0000
193 Q A -2.0183
194 N A -1.9024
195 Y A -1.3212
196 A A -0.9729
197 T A -0.9834
198 I A 0.0000
199 L A 0.0000
200 L A 0.0000
201 P A 0.0000
202 V A 0.0000
203 Y A 0.0000
204 A A 0.0000
205 Q A 0.0000
206 A A 0.0000
207 A A 0.0000
208 N A 0.0000
209 L A 0.0000
210 H A 0.0000
211 L A 0.0000
212 L A 0.0000
213 L A 0.0000
214 L A 0.0000
215 K A 0.0000
216 D A 0.0000
217 A A 0.0000
218 D A -0.8880
219 I A 0.0000
220 Y A 0.0000
221 G A 0.0000
222 A A -1.6380
223 R A -2.2905
224 W A 0.0000
225 G A -1.5902
226 L A -1.4993
227 N A -2.3814
228 Q A -2.4210
229 T A -1.8333
230 Q A -2.0875
231 I A 0.0000
232 D A -2.0531
233 Q A -2.0805
234 F A -1.2887
235 H A 0.0000
236 S A -1.3007
237 R A -1.1284
238 Q A 0.0000
239 Q A -1.3339
240 S A -0.9693
241 L A -0.4544
242 T A 0.0000
243 Q A -1.0721
244 T A -0.5688
245 Y A 0.0000
246 T A 0.0000
247 N A -0.6737
248 H A -0.2978
249 C A 0.0000
250 V A -0.5601
251 T A -0.9321
252 A A 0.0000
253 Y A -0.9204
254 N A -2.0159
255 D A -2.6101
256 G A 0.0000
257 L A -1.6764
258 A A -2.1134
259 E A -2.7389
260 L A -2.1394
261 R A -2.3855
262 G A -1.5025
263 T A -0.9766
264 T A -1.3199
265 A A 0.0000
266 E A -1.1479
267 S A -1.1909
268 W A 0.0000
269 F A 0.0000
270 K A -1.1132
271 Y A -0.8365
272 N A 0.0000
273 Q A -0.2660
274 Y A 0.0000
275 R A -0.3685
276 R A 0.0000
277 E A 0.0000
278 M A 0.0000
279 T A -0.1606
280 L A 0.0000
281 T A 0.0000
282 A A 0.0000
283 M A 0.0000
284 D A 0.0000
285 L A 0.0000
286 V A 0.0000
287 A A 0.0000
288 L A 0.0000
289 F A 0.0000
290 P A -0.2783
291 Y A 0.0000
292 Y A 0.0000
293 N A 0.0000
294 L A 0.0000
295 R A -1.7542
296 Q A -1.4078
297 Y A 0.0000
298 P A -1.0809
299 D A -1.7517
300 G A 0.0000
301 T A 0.0000
302 N A -0.8461
303 P A 0.0000
304 Q A 0.0000
305 L A 0.0000
306 T A 0.0000
307 R A -0.6424
308 E A -0.4716
309 V A 0.0000
310 Y A 0.0000
311 T A 0.0000
312 D A 0.0000
313 P A 0.0000
314 I A 0.0000
315 A A 0.0000
316 F A 0.0000
317 D A -0.3359
318 P A -0.0047
319 L A 0.4288
320 E A -1.3851
321 Q A -1.1615
322 P A -0.6011
323 T A -0.7019
324 T A -0.7075
325 Q A -1.2775
326 L A 0.0051
327 C A 0.0000
328 R A -0.6047
329 S A 0.0000
330 W A 0.0000
331 Y A -0.3444
332 I A -0.0636
333 N A 0.0000
334 P A -0.9196
335 A A -0.6879
336 F A 0.0000
337 R A -2.7562
338 N A -2.5452
339 H A -1.9224
340 L A 0.0000
341 N A -1.4294
342 F A 0.0000
343 S A -0.7894
344 V A -0.3207
345 L A 0.0000
346 E A -0.8942
347 N A -1.3033
348 S A -0.5750
349 L A 0.0000
350 I A -0.3386
351 R A 0.0000
352 P A -0.6681
353 P A -0.7156
354 H A -0.3307
355 L A 0.0000
356 F A 0.0000
357 E A 0.0000
358 R A -0.6886
359 L A 0.0000
360 S A -1.3866
361 N A -1.6028
362 L A 0.0000
363 Q A -0.9932
364 I A 0.0000
365 L A 0.0000
366 V A 0.0000
367 N A 0.0593
368 Y A 0.5854
369 Q A -0.7397
370 T A -0.6444
371 N A -1.0031
372 G A -0.3402
373 S A 0.1100
374 A A -0.0062
375 W A 0.0000
376 R A -0.2898
377 G A 0.0000
378 S A 0.0000
379 R A -1.0192
380 V A 0.0000
381 R A -1.6516
382 Y A 0.0000
383 H A 0.4394
384 Y A 0.4961
385 L A 0.0000
386 H A -0.5053
387 S A 0.5552
388 S A 1.0295
389 I A 2.3376
390 I A 1.6291
391 Q A -0.0827
392 E A -1.5065
393 K A -1.6715
394 S A -0.7413
395 Y A -0.0786
396 G A -0.0687
397 L A 0.5063
398 L A 0.9679
399 S A 0.2739
400 D A 0.2369
401 P A 0.3072
402 V A 0.3750
403 G A -0.0705
404 A A 0.0000
405 N A -1.5058
406 I A 0.0000
407 N A -2.2572
408 V A 0.0000
409 Q A -2.3572
410 N A -2.3894
411 N A -1.6208
412 D A -0.8635
413 I A 0.0000
414 Y A 0.0000
415 Q A -0.2587
416 I A 0.0000
417 I A -0.3119
418 S A 0.0000
419 Q A -0.7523
420 V A 0.0000
421 S A 0.0000
422 N A 0.0000
423 F A 0.5847
424 A A 0.3600
425 S A 0.4159
426 P A 0.2832
427 V A 1.1616
428 G A 0.4319
429 S A 0.0000
430 S A 0.0097
431 Y A 0.0000
432 S A 0.0156
433 V A 0.0000
434 W A 0.1605
435 D A -0.3423
436 T A 0.0000
437 N A -0.3381
438 F A 0.0000
439 Y A -0.1916
440 L A 0.0000
441 S A -0.8811
442 S A -0.7843
443 G A -0.7038
444 Q A -1.0633
445 V A -0.3897
446 S A -0.4066
447 G A 0.0000
448 I A 0.0000
449 S A -0.2035
450 G A 0.2746
451 Y A 0.7702
452 T A 0.0576
453 Q A -0.9897
454 Q A -1.4550
455 G A -1.0386
456 I A 0.0473
457 P A 0.4509
458 A A 0.9678
459 V A 1.8965
460 C A 0.0000
461 L A 0.7959
462 Q A -0.2301
463 Q A -1.4698
464 R A -1.3158
465 N A -1.2007
466 S A -0.7599
467 T A -1.0808
468 D A -2.2041
469 E A 0.0000
470 L A 0.0000
471 P A -0.7856
472 S A 0.0000
473 L A -0.5016
474 N A -1.1909
475 P A -1.4268
476 E A -2.3876
477 G A -2.1523
478 D A -2.3780
479 I A -1.1216
480 I A -0.7402
481 R A -2.0451
482 N A -1.5034
483 Y A 0.0000
484 S A 0.0000
485 H A 0.0000
486 R A 0.0000
487 L A 0.0000
488 S A 0.0000
489 H A 0.0000
490 I A 0.0000
491 T A 0.0000
492 Q A 0.0000
493 Y A -0.1352
494 R A -0.6884
495 F A 0.0000
496 Q A -1.3882
497 A A -0.8390
498 T A -0.7674
499 Q A -0.7260
500 S A -0.7592
501 G A -0.6369
502 S A -0.3759
503 P A -0.3912
504 S A -0.1494
505 T A -0.4034
506 V A 0.0000
507 S A -0.5912
508 A A 0.0000
509 N A 0.0000
510 L A 0.0000
511 P A 0.0000
512 T A 0.0000
513 C A 0.0000
514 V A 0.0000
515 W A 0.0000
516 T A 0.0000
517 H A 0.0000
518 R A -1.2848
519 D A -1.8562
520 V A 0.0000
521 D A -1.5588
522 L A 0.0000
523 D A -1.9573
524 N A -1.8657
525 N A 0.0000
526 T A -1.1081
527 I A 0.0000
528 N A -0.8210
529 S A -1.1714
530 D A -1.7016
531 S A -1.0865
532 I A 0.0000
533 T A 0.0000
534 Q A 0.0000
535 I A 0.0000
536 P A 0.0000
537 L A 0.0000
538 V A 0.0000
539 K A 0.0000
540 A A 0.0000
541 F A 0.2032
542 N A 0.1770
543 L A 0.3866
544 P A -0.0778
545 S A -0.4240
546 G A -0.6851
547 A A -0.3214
548 S A -0.2476
549 V A 0.0000
550 V A -0.6415
551 R A -1.5459
552 G A -0.9026
553 P A -0.9010
554 G A -0.6412
555 F A 0.0000
556 T A -0.2986
557 G A 0.0000
558 G A -0.6306
559 D A -0.9599
560 I A 0.0000
561 L A 0.0000
562 Q A -0.5920
563 R A 0.0000
564 T A -0.4464
565 N A -0.5333
566 T A -0.2851
567 G A -0.4168
568 T A -0.1341
569 F A 0.0000
570 G A 0.0000
571 D A -0.4496
572 I A 0.0000
573 R A -1.3354
574 V A 0.0000
575 N A -1.5744
576 I A 0.0000
577 N A -1.4174
578 P A -0.7461
579 P A -0.4373
580 F A -0.0787
581 A A -0.0896
582 Q A -0.8677
583 R A -1.0987
584 Y A 0.0000
585 R A -0.4983
586 L A 0.0000
587 R A -0.4469
588 I A 0.0000
589 R A 0.0000
590 Y A 0.0000
591 A A 0.0000
592 S A 0.0000
593 T A 0.0000
594 T A -1.4371
595 N A -1.6991
596 L A 0.0000
597 E A 0.0000
598 F A 0.0000
599 H A -0.7515
600 T A 0.0000
601 S A -1.1188
602 I A 0.0000
603 N A -2.3407
604 G A -1.8297
605 K A -2.1740
606 A A -1.0950
607 I A -0.4329
608 N A 0.0000
609 Q A -1.4378
610 G A -1.3061
611 N A -1.9050
612 F A -1.0325
613 S A -1.1003
614 A A -1.2317
615 T A -1.1846
616 M A 0.0000
617 N A -3.0373
618 R A -3.5329
619 G A -2.8716
620 E A -3.5475
621 D A -3.2831
622 L A -1.6589
623 D A -1.8155
624 Y A -1.5118
625 K A -2.4538
626 A A 0.0000
627 F A 0.0000
628 R A -2.1756
629 T A -0.9637
630 V A -0.4294
631 G A -0.4782
632 F A 0.0000
633 T A -0.3323
634 T A -0.4227
635 P A -0.4514
636 F A 0.0000
637 S A -0.5223
638 F A 0.0000
639 S A -0.8362
640 N A -1.6867
641 A A -1.2813
642 Q A -2.1062
643 S A 0.0000
644 T A -1.3632
645 F A 0.0000
646 T A -0.6764
647 I A 0.0000
648 G A 0.0000
649 A A 0.0000
650 W A -0.7711
651 N A -1.3192
652 F A -0.5912
653 S A -0.0469
654 L A 0.8164
655 G A -0.2574
656 N A 0.0000
657 E A -1.1514
658 V A 0.0000
659 Y A 0.0000
660 I A 0.0000
661 D A 0.0000
662 R A 0.0000
663 I A 0.0000
664 E A 0.0000
665 F A 0.0000
666 V A -0.7152
667 P A -1.0989
668 V A 0.0000
669 E A -1.0481
670 V A 0.7292
671 T A 0.4407
672 Y A 0.7035
673 E A -0.0562
674 A A 0.0000
675 E A -1.2070
676 Y A -0.8721
677 D A -1.5220
678 L A 0.0000
679 K A -3.0457
680 K A -2.8063
681 A A 0.0000
682 Q A -2.4585
683 D A -3.2131
684 E A -2.5917
685 I A 0.0000
686 T A -1.3066
687 A A -1.0233
688 M A 0.0000
689 F A 0.0000
690 T A -1.3706
691 S A -1.4010
692 T A -1.2052
693 N A -2.0977
694 L A -1.7416
695 R A -2.9589
696 R A -3.1348
697 L A 0.0000
698 K A -1.5528
699 T A -1.3526
700 N A -1.6188
701 V A 0.0000
702 T A -1.5573
703 D A -1.8035
704 C A -1.2295
705 H A -2.2534
706 I A 0.0000
707 D A -3.2731
708 Q A -2.9803
709 V A 0.0000
710 S A -2.3923
711 N A -2.7263
712 L A -1.9661
713 V A 0.0000
714 E A -2.8176
715 S A -1.6583
716 L A 0.0000
717 S A -1.6303
718 D A -3.0530
719 E A -2.1992
720 F A -0.8498
721 Y A -1.7576
722 L A -2.1749
723 D A -3.3252
724 E A -3.1132
725 K A 0.0000
726 R A -4.1878
727 E A -3.8371
728 L A 0.0000
729 F A -2.8412
730 E A -3.2299
731 I A -1.7400
732 V A 0.0000
733 K A -2.6032
734 Y A -1.2422
735 A A 0.0000
736 K A -2.3460
737 Q A -1.6570
738 L A -1.8660
739 N A 0.0000
740 I A -0.7210
741 E A -1.8491
742 R A -2.0679
743 N A -1.3296
744 M A -0.0851
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Laboratory of Theory of Biopolymers 2018