Project name: 535392aa69ed985

Status: done

Started: 2026-06-14 06:14:33
Settings
Chain sequence(s) A: MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGLGGGGSGFLGGGGGSMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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                                          (00:29:21)
[INFO]       Main:     Simulation completed successfully.                                          (00:29:29)
Show buried residues

Minimal score value
-4.4619
Maximal score value
3.1088
Average score
-1.0673
Total score value
-742.823

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 0.9726
2 K A -0.3111
3 W A 1.1554
4 V A 2.1218
5 T A 1.0908
6 F A 1.4116
7 I A 1.6898
8 S A 1.9775
9 L A 2.4951
10 L A 2.4663
11 F A 2.7225
12 L A 3.1088
13 F A 2.3899
14 S A 1.6519
15 S A 0.9311
16 A A 0.8522
17 Y A 0.8877
18 S A -0.3951
19 R A -1.8435
20 G A -1.1003
21 V A 0.0458
22 F A -1.1227
23 R A -3.0255
24 R A -3.7218
25 D A -3.6219
26 A A -2.6556
27 H A -3.1563
28 K A -3.2621
29 S A 0.0000
30 E A -1.8054
31 V A 0.0000
32 A A 0.0000
33 H A -1.8409
34 R A 0.0000
35 F A 0.0000
36 K A -2.8787
37 D A -2.8702
38 L A -2.1841
39 G A -2.5458
40 E A -3.2440
41 E A -2.9225
42 N A -2.1914
43 F A 0.0000
44 K A -1.8929
45 A A -1.1765
46 L A 0.0000
47 V A 0.0000
48 L A 0.0000
49 I A 0.0000
50 A A 0.0000
51 F A 0.0000
52 A A 0.0000
53 Q A 0.0000
54 Y A 0.0000
55 L A 0.0000
56 Q A 0.0000
57 Q A -0.8648
58 C A 0.0000
59 P A -1.1713
60 F A -1.6203
61 E A -2.6744
62 D A -2.3555
63 H A 0.0000
64 V A -2.0290
65 K A -3.0047
66 L A -1.9989
67 V A 0.0000
68 N A -2.7574
69 E A -3.1458
70 V A 0.0000
71 T A 0.0000
72 E A -2.9049
73 F A -1.7601
74 A A 0.0000
75 K A -2.3022
76 T A -1.6081
77 C A 0.0000
78 V A -1.1391
79 A A -0.9625
80 D A -2.2289
81 E A -3.1767
82 S A -2.3004
83 A A -2.0861
84 E A -2.8392
85 N A -2.3567
86 C A 0.0000
87 D A -3.5496
88 K A -2.2403
89 S A -1.1152
90 L A 0.0000
91 H A -0.6643
92 T A -0.8918
93 L A 0.0000
94 F A -0.3229
95 G A 0.0000
96 D A -0.8096
97 K A -0.8328
98 L A 0.0000
99 C A -0.4385
100 T A -0.1174
101 V A -0.2966
102 A A -0.4502
103 T A -1.1293
104 L A 0.0000
105 R A -3.4016
106 E A -2.9597
107 T A -1.7872
108 Y A -1.8513
109 G A -2.5706
110 E A -3.0645
111 M A 0.0000
112 A A -2.3469
113 D A -2.7443
114 C A 0.0000
115 C A -1.3637
116 A A -1.3160
117 K A -2.6389
118 Q A -2.3863
119 E A -2.2270
120 P A -2.2482
121 E A -3.2481
122 R A 0.0000
123 N A 0.0000
124 E A -2.9811
125 C A -2.4579
126 F A 0.0000
127 L A -1.4041
128 Q A -1.7476
129 H A -1.4074
130 K A 0.0000
131 D A -1.6569
132 D A -1.4826
133 N A -1.8708
134 P A -1.5613
135 N A -2.0146
136 L A -1.2099
137 P A -0.8425
138 R A -1.3340
139 L A 0.4720
140 V A 0.5886
141 R A -1.1666
142 P A -1.1696
143 E A -2.0914
144 V A 0.0000
145 D A -1.6326
146 V A 0.0545
147 M A 0.0000
148 C A 0.0000
149 T A -0.9354
150 A A -0.9658
151 F A 0.0000
152 H A -2.4131
153 D A -2.9420
154 N A -2.6360
155 E A -2.5754
156 E A -2.7942
157 T A -1.6347
158 F A -1.4384
159 L A -1.2849
160 K A -1.2378
161 K A -1.2601
162 Y A -0.2765
163 L A 0.0000
164 Y A 0.0000
165 E A -0.2215
166 I A -0.2904
167 A A 0.0000
168 R A -0.6135
169 R A -1.1035
170 H A -0.7560
171 P A 0.0000
172 Y A -0.2149
173 F A 0.0000
174 Y A -0.0226
175 A A 0.0000
176 P A 0.0000
177 E A 0.0000
178 L A 0.0000
179 L A 0.0000
180 F A 0.0000
181 F A 0.0000
182 A A 0.0000
183 K A -1.8775
184 R A -1.4479
185 Y A -1.0299
186 K A -1.5938
187 A A -1.3160
188 A A 0.0000
189 F A 0.0000
190 T A -1.5128
191 E A -2.2917
192 C A 0.0000
193 C A 0.0000
194 Q A -2.0684
195 A A -1.7033
196 A A -1.2137
197 D A -2.1708
198 K A -2.1077
199 A A -1.1976
200 A A -0.5808
201 C A -0.9163
202 L A 0.0000
203 L A -0.5122
204 P A -1.1762
205 K A -1.6736
206 L A -2.1477
207 D A -3.2376
208 E A -4.0300
209 L A 0.0000
210 R A -4.2921
211 D A -4.4619
212 E A -3.3408
213 G A -2.8457
214 K A -3.2499
215 A A -1.9585
216 S A -1.4613
217 S A -0.9680
218 A A -1.0673
219 K A -1.1847
220 Q A 0.0000
221 R A -0.6918
222 L A 0.0000
223 K A -0.8956
224 C A 0.0000
225 A A -0.9865
226 S A 0.0000
227 L A 0.0000
228 Q A -2.1682
229 K A -2.0232
230 F A -1.5210
231 G A -2.1098
232 E A -3.1017
233 R A -3.0652
234 A A -1.6442
235 F A 0.0000
236 K A -1.9627
237 A A -1.3517
238 W A -0.7318
239 A A 0.0000
240 V A 0.0000
241 A A 0.0000
242 R A -0.8824
243 L A 0.0000
244 S A 0.0000
245 Q A 0.0000
246 R A -2.0615
247 F A 0.0000
248 P A 0.0000
249 K A -2.1352
250 A A 0.0000
251 E A -2.1465
252 F A -0.9416
253 A A -0.6277
254 E A -0.9461
255 V A 0.0000
256 S A -0.5505
257 K A -0.2301
258 L A 0.0000
259 V A 0.0000
260 T A -0.5762
261 D A 0.0000
262 L A -0.2101
263 T A 0.0000
264 K A -1.1911
265 V A 0.0000
266 H A 0.0000
267 T A -0.9766
268 E A -0.7687
269 C A 0.0000
270 C A -0.5425
271 H A -0.9357
272 G A 0.0000
273 D A -0.5476
274 L A 0.0000
275 L A 0.0000
276 E A -0.6368
277 C A 0.0000
278 A A 0.0000
279 D A -0.9374
280 D A -0.9054
281 R A 0.0000
282 A A -0.9560
283 D A -1.4556
284 L A 0.0000
285 A A 0.0000
286 K A -2.1870
287 Y A -1.4611
288 I A 0.0000
289 C A -2.2466
290 E A -2.5556
291 N A -1.9503
292 Q A -2.2625
293 D A -2.7631
294 S A -2.0004
295 I A 0.0000
296 S A 0.0000
297 S A -2.1763
298 K A -2.7101
299 L A 0.0000
300 K A -3.4378
301 E A -3.4640
302 C A 0.0000
303 C A -2.7320
304 E A -3.1932
305 K A -2.4493
306 P A -0.8502
307 L A -0.1045
308 L A -0.1548
309 E A -1.0256
310 K A 0.0000
311 S A 0.0000
312 H A -0.7275
313 C A -1.2150
314 I A 0.0000
315 A A -1.1805
316 E A -2.4300
317 V A 0.0000
318 E A -3.2732
319 N A -3.1030
320 D A 0.0000
321 E A -2.5605
322 M A -1.2925
323 P A -0.9953
324 A A -1.0489
325 D A -1.6707
326 L A -0.7228
327 P A -0.8613
328 S A -0.7181
329 L A -0.6974
330 A A -0.9742
331 A A -1.7026
332 D A -2.6339
333 F A 0.0000
334 V A 0.0000
335 E A -3.0976
336 S A -2.8507
337 K A -3.6786
338 D A -3.5490
339 V A 0.0000
340 C A -2.0950
341 K A -3.0848
342 N A -2.3028
343 Y A 0.0000
344 A A -2.2264
345 E A -2.5077
346 A A -1.8383
347 K A -2.6287
348 D A -2.6372
349 V A -1.1486
350 F A 0.0000
351 L A 0.0000
352 G A -0.7157
353 M A -0.2565
354 F A 0.0000
355 L A 0.0000
356 Y A 0.0000
357 E A -0.5023
358 Y A 0.0000
359 A A 0.0000
360 R A 0.0000
361 R A -0.5624
362 H A -0.5443
363 P A -1.2686
364 D A -1.5212
365 Y A -0.6510
366 S A 0.0000
367 V A 0.0000
368 V A 0.0000
369 L A 0.0000
370 L A 0.0000
371 L A 0.0000
372 R A 0.0000
373 L A 0.0000
374 A A -0.6542
375 K A -1.2784
376 T A -1.0141
377 Y A 0.0000
378 E A -1.6070
379 T A -1.3630
380 T A 0.0000
381 L A 0.0000
382 E A -2.2184
383 K A -2.2347
384 C A 0.0000
385 C A -1.1201
386 A A -0.8303
387 A A -1.1528
388 A A -0.9584
389 D A -2.2607
390 P A -2.1075
391 H A -2.6816
392 E A -2.9309
393 C A -1.5471
394 Y A 0.0000
395 A A -1.8919
396 K A -2.7135
397 V A 0.0000
398 F A -1.7782
399 D A -3.4486
400 E A -3.3477
401 F A 0.0000
402 K A -3.0450
403 P A -2.2408
404 L A -1.4533
405 V A 0.0000
406 E A -2.3228
407 E A -2.1082
408 P A 0.0000
409 Q A -2.6802
410 N A -2.7088
411 L A -1.7534
412 I A 0.0000
413 K A -3.3487
414 Q A -2.8166
415 N A -2.1249
416 C A 0.0000
417 E A -3.3958
418 L A -2.3275
419 F A 0.0000
420 E A -3.2320
421 Q A -2.6482
422 L A -1.7725
423 G A -1.6655
424 E A -1.7979
425 Y A -1.1502
426 K A -1.9358
427 F A 0.0000
428 Q A 0.0000
429 N A -1.1612
430 A A -1.0296
431 L A 0.0000
432 L A 0.0000
433 V A 0.0000
434 R A -0.9072
435 Y A -0.4655
436 T A 0.0000
437 K A -1.1300
438 K A -0.9726
439 V A 0.0000
440 P A 0.0000
441 Q A -0.2968
442 V A 0.0000
443 S A -0.3672
444 T A 0.0000
445 P A -0.5913
446 T A -0.7151
447 L A 0.0000
448 V A 0.0000
449 E A -1.5621
450 V A 0.0000
451 S A 0.0000
452 R A -0.9664
453 N A -0.9052
454 L A 0.0000
455 G A 0.0000
456 K A -1.3495
457 V A 0.0000
458 G A 0.0000
459 S A -1.8491
460 K A -2.0788
461 C A 0.0000
462 C A 0.0000
463 K A -2.8782
464 H A -2.3505
465 P A -2.1047
466 E A -3.1697
467 A A -2.0301
468 K A -2.5746
469 R A -2.5399
470 M A 0.0000
471 P A -0.8075
472 C A -0.6891
473 A A 0.0000
474 E A 0.0000
475 D A -0.1462
476 Y A -0.1649
477 L A 0.0678
478 S A -0.1140
479 V A 0.0000
480 V A 0.0000
481 L A 0.0000
482 N A 0.0000
483 Q A -0.7516
484 L A 0.0000
485 C A 0.0000
486 V A -0.9360
487 L A -0.9830
488 H A 0.0000
489 E A -2.1836
490 K A -2.1101
491 T A -0.8481
492 P A -0.7597
493 V A -0.0166
494 S A 0.0000
495 D A -2.1804
496 R A -1.5526
497 V A 0.0000
498 T A -1.9161
499 K A -2.4546
500 C A 0.0000
501 C A 0.0000
502 T A -1.7545
503 E A -2.2274
504 S A -1.2857
505 L A -0.4634
506 V A -0.4219
507 N A -0.8876
508 R A 0.0000
509 R A 0.0000
510 P A -0.2428
511 C A -0.3909
512 F A 0.0000
513 S A -0.2569
514 A A -0.2953
515 L A -0.6045
516 E A -1.8326
517 V A -1.1472
518 D A 0.0000
519 E A -1.8712
520 T A -0.3555
521 Y A 0.2200
522 V A 0.9184
523 P A -0.4569
524 K A -1.7890
525 E A -2.1310
526 F A -1.2865
527 N A -1.5503
528 A A -1.3339
529 E A -1.8959
530 T A -0.9139
531 F A -0.6128
532 T A -1.1218
533 F A 0.0000
534 H A -1.9670
535 A A -2.0324
536 D A -2.2741
537 I A 0.0000
538 C A -1.3868
539 T A -0.7171
540 L A -1.1563
541 S A -1.5281
542 E A -2.8947
543 K A -2.8732
544 E A -1.9185
545 R A -2.0892
546 Q A -1.6052
547 I A -0.9548
548 K A -1.2644
549 K A -0.7847
550 Q A 0.0000
551 T A -0.4266
552 A A 0.0000
553 L A 0.0000
554 V A 0.0000
555 E A 0.0000
556 L A 0.0000
557 V A 0.0000
558 K A 0.0000
559 H A -1.1270
560 K A -1.2409
561 P A -1.1770
562 K A -2.2515
563 A A 0.0000
564 T A -2.1748
565 K A -3.1074
566 E A -3.2933
567 Q A -2.6297
568 L A 0.0000
569 K A -3.5639
570 A A -2.6370
571 V A 0.0000
572 M A -2.1588
573 D A -3.0435
574 D A -2.9550
575 F A 0.0000
576 A A -1.8081
577 A A -1.9946
578 F A 0.0000
579 V A 0.0000
580 E A -2.9962
581 K A -2.8884
582 C A 0.0000
583 C A -2.7946
584 K A -3.2788
585 A A -3.1174
586 D A -3.2639
587 D A -3.3390
588 K A -3.3828
589 E A -2.8997
590 T A -2.1503
591 C A -2.6515
592 F A 0.0000
593 A A -2.2146
594 E A -3.1246
595 E A -2.6695
596 G A -2.2001
597 K A -3.0772
598 K A -2.9822
599 L A -1.8028
600 V A -0.8384
601 A A -0.8008
602 A A -0.6882
603 S A -0.5926
604 Q A -0.1681
605 A A -0.0124
606 A A -0.0955
607 L A 0.0000
608 G A -0.3525
609 L A 0.2873
610 G A -0.5502
611 G A -0.8722
612 G A -0.9807
613 G A -0.8574
614 S A -0.2034
615 G A 0.4680
616 F A 2.1912
617 L A 2.0115
618 G A 0.4046
619 G A -0.5004
620 G A -0.9005
621 G A -1.2751
622 G A -1.2241
623 S A -0.9098
624 M A -0.6934
625 I A 0.0000
626 E A -2.2568
627 I A 0.0000
628 I A -1.4798
629 C A 0.0000
630 N A -1.6453
631 D A 0.0000
632 R A -1.6856
633 L A -0.0372
634 G A -1.2002
635 K A -2.0132
636 K A -2.7160
637 I A -1.9705
638 R A -2.6422
639 I A 0.0000
640 K A -2.2307
641 C A 0.0000
642 N A -1.7413
643 T A -2.4155
644 D A -2.5256
645 D A -1.7997
646 T A -1.8387
647 I A 0.0000
648 G A 0.0000
649 D A -1.3267
650 L A 0.0000
651 K A 0.0000
652 K A -1.8303
653 L A -0.8276
654 I A 0.0000
655 A A -1.6845
656 A A -1.0362
657 Q A -1.5355
658 T A -1.1788
659 G A -1.3422
660 T A -1.9017
661 R A -2.9287
662 W A -2.1468
663 N A -2.6940
664 K A -2.5854
665 I A 0.0000
666 I A -0.1016
667 L A 0.0000
668 K A 0.5619
669 K A 0.4522
670 W A 1.6809
671 Y A 1.8619
672 T A 1.0744
673 I A 1.4139
674 F A 0.0000
675 K A -1.7386
676 D A -1.8599
677 H A -1.7313
678 I A -1.5677
679 S A -2.1352
680 L A 0.0000
681 G A -2.9193
682 D A -2.6746
683 Y A -1.8632
684 E A -2.9607
685 I A 0.0000
686 H A -2.5473
687 D A -2.8982
688 G A -1.8346
689 M A -1.5642
690 N A -1.3058
691 L A 0.0000
692 E A 0.0000
693 L A 0.0000
694 Y A 0.2405
695 Y A -0.4591
696 Q A -1.6292
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018