Project name: 76e08ca62b52bc7

Status: done

Started: 2025-08-15 12:02:37
Settings
Chain sequence(s) A: QCTVRYNVADCSHLKLTHIPDDLPSNITVLNLTHNQLRRLPPTNFTRYSQLAILDAGFNSISKLEPELCQILPLLKVLNLQHNELSQISDQTFVFCTNLTELDLMSNSIHKIKSNPFKNQKNLIKLDLSHNGLSSTKLGTGVQLENLQELLLAKNKILALRSEELEFLGNSSLRKLDLSSNPLKEFSPGCFQTIGKLFALLLNNAQLNPHLTEKLCWELSNTSIQNLSLANNQLLATSESTFSGLKWTNLTQLDLSYNNLHDVGNGSFSYLPSLRYLSLEYNNIQRLSPRSFYGLSNLRYLSLKRAFTKQSVSLASHPNIDDFSFQWLKYLEYLNMDDNNIPSTKSNTFTGLVSLKYLSLSKTFTSLQTLTNETFVSLAHSPLLTLNLTKNHISKIANGTFSWLGQLRILDLGLNEIEQKLSGQEWRGLRNIFEIYLSYNKYLQLSTSSFALVPSLQRLMLRRVALKNVDISPSPFRPLRNLTILDLSNNNIANINEDLLEGLENLEILDFQHNNLARLWKRANPGGPVNFLKGLSHLHILNLESNGLDEIPVGVFKNLFELKSINLGLNNLNKLEPFIFDDQTSLRSLNLQKNLITSVEKDVFGPPFQNLNSLDMRFNPFDCTCESISWFVNWINQTHTNISELSTHYLCNTPHHYYGFPLKLFDTSSCKDSAPFELLFIISTSMLLVFILVVLLIHIE
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                                          (00:10:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:18)
Show buried residues

Minimal score value
-3.5903
Maximal score value
4.7438
Average score
-0.6464
Total score value
-452.5033

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 Q A -1.2805
29 C A 0.0000
30 T A -0.5345
31 V A 0.0048
32 R A -0.7584
33 Y A 0.4131
34 N A -0.7388
35 V A -0.2705
36 A A 0.0000
37 D A -1.0101
38 C A 0.0000
39 S A -1.0839
40 H A -1.3141
41 L A -0.9124
42 K A -2.0014
43 L A 0.0000
44 T A -1.6891
45 H A -1.9755
46 I A 0.0000
47 P A 0.0000
48 D A -2.4256
49 D A -2.6667
50 L A 0.0000
51 P A -1.2849
52 S A -1.7709
53 N A -1.8641
54 I A 0.0000
55 T A -0.3341
56 V A 0.0809
57 L A 0.0000
58 N A -0.6594
59 L A 0.0000
60 T A -0.7304
61 H A -1.0058
62 N A 0.0000
63 Q A -1.9915
64 L A 0.0000
65 R A -3.5903
66 R A -3.4528
67 L A 0.0000
68 P A -1.1935
69 P A -0.8566
70 T A -0.5552
71 N A -0.9402
72 F A 0.0000
73 T A -0.8569
74 R A -2.0110
75 Y A 0.0000
76 S A -1.0577
77 Q A -1.1824
78 L A 0.0000
79 A A -0.2398
80 I A 0.1297
81 L A 0.0000
82 D A -0.2585
83 A A 0.0000
84 G A 0.0000
85 F A 0.1054
86 N A 0.0000
87 S A -2.0407
88 I A 0.0000
89 S A -2.5893
90 K A -2.9691
91 L A -1.5605
92 E A -1.5980
93 P A -0.9745
94 E A -1.1808
95 L A 0.0000
96 C A 0.0000
97 Q A -0.9574
98 I A -0.4224
99 L A 0.0000
100 P A -0.6505
101 L A -0.3252
102 L A 0.0000
103 K A -1.3941
104 V A -0.5458
105 L A 0.0000
106 N A -0.5480
107 L A 0.0000
108 Q A -0.5928
109 H A -0.8099
110 N A 0.0000
111 E A -2.6336
112 L A 0.0000
113 S A -1.9784
114 Q A -2.3641
115 I A -1.5657
116 S A -1.4049
117 D A -1.5939
118 Q A -1.2463
119 T A -0.7877
120 F A 0.0000
121 V A -0.0933
122 F A 0.6557
123 C A 0.0000
124 T A -1.1641
125 N A -1.8761
126 L A 0.0000
127 T A -1.5807
128 E A -1.4286
129 L A 0.0000
130 D A -0.7300
131 L A 0.0000
132 M A -0.4817
133 S A -0.9811
134 N A 0.0000
135 S A -1.5389
136 I A 0.0000
137 H A -2.3303
138 K A -2.9083
139 I A -2.1801
140 K A -2.4742
141 S A -1.8222
142 N A -1.6632
143 P A 0.0000
144 F A 0.0000
145 K A -2.1185
146 N A -1.5320
147 Q A 0.0000
148 K A -3.0285
149 N A -2.8376
150 L A 0.0000
151 I A -1.4990
152 K A -1.5459
153 L A 0.0000
154 D A 0.0000
155 L A 0.0000
156 S A 0.0000
157 H A -1.9408
158 N A 0.0000
159 G A -1.9292
160 L A 0.0000
161 S A -1.3074
162 S A -1.2173
163 T A 0.0000
164 K A -2.1846
165 L A 0.0000
166 G A 0.0000
167 T A -1.0152
168 G A -0.1676
169 V A 0.3353
170 Q A -1.2086
171 L A 0.0000
172 E A -3.1167
173 N A -2.7630
174 L A 0.0000
175 Q A -2.0979
176 E A -1.7172
177 L A 0.0000
178 L A -0.4134
179 L A 0.0000
180 A A -1.2961
181 K A -2.6166
182 N A 0.0000
183 K A -2.2855
184 I A 0.0000
185 L A -0.8158
186 A A -1.1665
187 L A 0.0000
188 R A -2.4573
189 S A -2.3295
190 E A -3.0165
191 E A 0.0000
192 L A 0.0000
193 E A -2.6823
194 F A 0.0000
195 L A 0.0000
196 G A -1.4560
197 N A -2.1442
198 S A 0.0000
199 S A -2.0124
200 L A 0.0000
201 R A -2.5271
202 K A -1.7437
203 L A 0.0000
204 D A -0.4786
205 L A 0.0000
206 S A -1.2181
207 S A -1.9499
208 N A 0.0000
209 P A -1.6579
210 L A 0.0000
211 K A -2.4995
212 E A -2.6875
213 F A -1.4884
214 S A 0.0000
215 P A -1.0260
216 G A -1.1048
217 C A 0.0000
218 F A 0.0000
219 Q A -1.7932
220 T A -1.8355
221 I A 0.0000
222 G A -1.8289
223 K A -1.9605
224 L A 0.0000
225 F A -1.1939
226 A A -1.1538
227 L A 0.0000
228 L A -0.3041
229 L A 0.0000
230 N A -1.4404
231 N A -2.5103
232 A A 0.0000
233 Q A -2.6407
234 L A 0.0000
235 N A -1.9417
236 P A -1.1382
237 H A -1.9252
238 L A -1.9796
239 T A 0.0000
240 E A -1.5275
241 K A -2.1814
242 L A 0.0000
243 C A 0.0000
244 W A -0.2852
245 E A -0.7865
246 L A 0.0000
247 S A 0.0000
248 N A -1.3510
249 T A -1.1993
250 S A -0.9754
251 I A 0.0000
252 Q A -1.4058
253 N A -1.2404
254 L A 0.0000
255 S A 0.0000
256 L A 0.0000
257 A A 0.0000
258 N A -1.9063
259 N A 0.0000
260 Q A -1.9597
261 L A 0.0000
262 L A 0.2297
263 A A -0.1585
264 T A 0.0000
265 S A -0.9405
266 E A -1.2560
267 S A -0.7101
268 T A 0.0000
269 F A 0.0000
270 S A 0.0000
271 G A 0.0000
272 L A 0.0000
273 K A -0.3658
274 W A 0.2594
275 T A 0.0000
276 N A -1.6248
277 L A 0.0000
278 T A -1.1830
279 Q A -1.0260
280 L A 0.0000
281 D A -0.6436
282 L A 0.0000
283 S A 0.0000
284 Y A -0.4637
285 N A 0.0000
286 N A -1.3499
287 L A 0.0000
288 H A -1.6148
289 D A -1.6755
290 V A -1.0835
291 G A -1.4897
292 N A -1.9226
293 G A 0.0000
294 S A 0.0000
295 F A 0.0000
296 S A -0.3442
297 Y A 0.2322
298 L A 0.0000
299 P A -0.5712
300 S A -1.0401
301 L A 0.0000
302 R A -1.1316
303 Y A -0.4689
304 L A 0.0000
305 S A -0.2788
306 L A 0.0000
307 E A -0.7917
308 Y A -0.4365
309 N A 0.0000
310 N A -1.5309
311 I A 0.0000
312 Q A -2.4647
313 R A -3.1360
314 L A 0.0000
315 S A -1.6589
316 P A -0.9154
317 R A -1.4176
318 S A 0.0000
319 F A 0.0000
320 Y A -0.1896
321 G A 0.0044
322 L A 0.0000
323 S A -0.6085
324 N A -0.8128
325 L A 0.0000
326 R A -0.8428
327 Y A -0.0181
328 L A 0.0000
329 S A -0.2851
330 L A 0.0000
331 K A -1.4120
332 R A -1.5346
333 A A 0.0000
334 F A 0.0000
335 T A 0.0000
336 K A -2.1887
337 Q A -1.4467
338 S A 0.0855
339 V A 1.6034
340 S A 1.2281
341 L A 1.7041
342 A A 0.5624
343 S A -0.6175
344 H A -1.9533
345 P A 0.0000
346 N A -2.7369
347 I A 0.0000
348 D A -2.4019
349 D A -1.3442
350 F A -0.0795
351 S A 0.0000
352 F A 0.0000
353 Q A -0.2427
354 W A 0.1444
355 L A 0.0000
356 K A -0.6502
357 Y A 0.3965
358 L A 0.0000
359 E A -0.0904
360 Y A 0.3206
361 L A 0.0000
362 N A -0.4077
363 M A 0.0000
364 D A -1.5667
365 D A -1.7306
366 N A 0.0000
367 N A -1.6559
368 I A 0.0000
369 P A -0.7798
370 S A -0.7030
371 T A -0.7215
372 K A -1.4382
373 S A -0.9688
374 N A -0.9565
375 T A 0.0000
376 F A 0.0000
377 T A -0.0356
378 G A 0.0388
379 L A 0.0000
380 V A 0.9112
381 S A 0.2867
382 L A 0.0000
383 K A -0.2052
384 Y A 0.4779
385 L A 0.0000
386 S A -0.3724
387 L A 0.0000
388 S A 0.0000
389 K A -2.1704
390 T A 0.0000
391 F A 0.0000
392 T A -1.1214
393 S A -0.7494
394 L A 0.0000
395 Q A -1.9439
396 T A -1.3229
397 L A 0.0000
398 T A -1.2583
399 N A -1.4880
400 E A -1.9682
401 T A -1.0539
402 F A 0.0000
403 V A -0.2461
404 S A 0.0000
405 L A 0.0000
406 A A 0.0937
407 H A -0.1963
408 S A 0.0000
409 P A -0.3771
410 L A 0.0000
411 L A -0.0222
412 T A 0.1832
413 L A 0.0000
414 N A -0.5287
415 L A 0.0000
416 T A 0.0000
417 K A -1.9661
418 N A 0.0000
419 H A -2.3229
420 I A 0.0000
421 S A -2.5889
422 K A -2.8362
423 I A 0.0000
424 A A -1.4957
425 N A -2.0236
426 G A -1.8458
427 T A 0.0000
428 F A 0.0000
429 S A -1.2338
430 W A -0.2344
431 L A 0.0000
432 G A -1.6395
433 Q A -1.8024
434 L A 0.0000
435 R A -0.9765
436 I A 0.2306
437 L A 0.0000
438 D A -0.0001
439 L A 0.0000
440 G A 0.0000
441 L A -0.3404
442 N A 0.0000
443 E A -2.9444
444 I A 0.0000
445 E A -3.0793
446 Q A -2.5390
447 K A -2.6292
448 L A 0.0000
449 S A -1.1454
450 G A 0.0000
451 Q A -1.9190
452 E A 0.0000
453 W A 0.0000
454 R A -2.6119
455 G A -1.9323
456 L A 0.0000
457 R A -2.8405
458 N A -2.0552
459 I A 0.0000
460 F A -0.4520
461 E A -0.2445
462 I A 0.0000
463 Y A 0.2461
464 L A 0.0000
465 S A 0.0000
466 Y A -0.4865
467 N A 0.0000
468 K A -2.4962
469 Y A -1.9888
470 L A 0.0000
471 Q A -1.8533
472 L A 0.0000
473 S A -0.9110
474 T A -0.4829
475 S A -0.4561
476 S A 0.0000
477 F A 0.0000
478 A A -0.3927
479 L A -0.5178
480 V A 0.0000
481 P A -1.1945
482 S A -1.2760
483 L A 0.0000
484 Q A -1.1337
485 R A -0.7239
486 L A 0.0000
487 M A 0.0000
488 L A 0.0000
489 R A -1.3148
490 R A -2.3022
491 V A 0.0000
492 A A -1.4328
493 L A 0.0000
494 K A -2.4644
495 N A -2.3144
496 V A 0.0000
497 D A -2.0542
498 I A -0.9488
499 S A -0.7922
500 P A -0.8293
501 S A 0.0000
502 P A 0.0000
503 F A 0.0000
504 R A -2.1259
505 P A -1.3969
506 L A 0.0000
507 R A -2.7350
508 N A -2.2916
509 L A 0.0000
510 T A -1.2084
511 I A -0.1962
512 L A 0.0000
513 D A -0.4117
514 L A 0.0000
515 S A 0.0000
516 N A -1.8105
517 N A 0.0000
518 N A -2.3898
519 I A 0.0000
520 A A -1.8652
521 N A -2.5998
522 I A 0.0000
523 N A -1.9407
524 E A -2.5935
525 D A -2.0760
526 L A 0.0000
527 L A 0.0000
528 E A -2.5426
529 G A -2.1233
530 L A 0.0000
531 E A -3.1756
532 N A -2.4195
533 L A 0.0000
534 E A -1.0765
535 I A 0.0781
536 L A 0.0000
537 D A -0.3255
538 F A 0.0000
539 Q A -1.0757
540 H A -1.5626
541 N A 0.0000
542 N A -2.3673
543 L A 0.0000
544 A A -2.4003
545 R A -3.2181
546 L A 0.0000
547 W A 0.0000
548 K A -3.4893
549 R A -3.5065
550 A A -2.5889
551 N A -2.4166
552 P A -1.3824
553 G A -1.4466
554 G A -1.5416
555 P A -1.2401
556 V A 0.0000
557 N A -0.9559
558 F A 0.0000
559 L A 0.0000
560 K A -2.0532
561 G A -1.9462
562 L A 0.0000
563 S A -1.7118
564 H A -1.7107
565 L A 0.0000
566 H A -0.4937
567 I A 0.2674
568 L A 0.0000
569 N A -0.3035
570 L A 0.0000
571 E A -0.7106
572 S A -0.8408
573 N A 0.0000
574 G A -1.4161
575 L A 0.0000
576 D A -2.5326
577 E A -3.1860
578 I A 0.0000
579 P A -0.6445
580 V A 0.8386
581 G A -0.4142
582 V A 0.0000
583 F A 0.0000
584 K A -2.1436
585 N A -2.2152
586 L A 0.0000
587 F A 0.0551
588 E A -1.0993
589 L A 0.0000
590 K A -1.6852
591 S A -1.0068
592 I A 0.0000
593 N A -0.3654
594 L A 0.0000
595 G A 0.0000
596 L A -0.1626
597 N A 0.0000
598 N A -1.7337
599 L A 0.0000
600 N A -1.3883
601 K A -2.6291
602 L A -1.7636
603 E A -1.8737
604 P A -1.0639
605 F A 0.3338
606 I A 0.0000
607 F A 0.0000
608 D A -1.7551
609 D A -1.2542
610 Q A 0.0000
611 T A -1.2913
612 S A -1.4388
613 L A 0.0000
614 R A -3.0366
615 S A -1.7750
616 L A 0.0000
617 N A -0.6638
618 L A 0.0000
619 Q A -0.4565
620 K A -0.8609
621 N A 0.0000
622 L A 0.4863
623 I A 0.0000
624 T A -0.3055
625 S A -0.7711
626 V A 0.0000
627 E A -2.3749
628 K A -2.6403
629 D A -2.8602
630 V A 0.0000
631 F A 0.0000
632 G A 0.0000
633 P A -1.5342
634 P A 0.0000
635 F A 0.0000
636 Q A -2.1738
637 N A -2.5615
638 L A 0.0000
639 N A -2.5097
640 S A -1.6720
641 L A 0.0000
642 D A -0.5874
643 M A 0.0000
644 R A -0.3470
645 F A 0.6494
646 N A 0.0000
647 P A 0.0340
648 F A 0.0000
649 D A -0.6207
650 C A 0.0000
651 T A -0.7591
652 C A -1.6728
653 E A -2.4254
654 S A 0.0000
655 I A 0.0000
656 S A -1.6523
657 W A -1.1734
658 F A 0.0000
659 V A 0.0000
660 N A -1.6745
661 W A -1.2712
662 I A 0.0000
663 N A -2.1411
664 Q A -2.1384
665 T A -1.7733
666 H A -1.8180
667 T A -1.7842
668 N A -1.7147
669 I A -0.9005
670 S A -0.8822
671 E A -1.3722
672 L A -0.6755
673 S A -0.2863
674 T A -0.4818
675 H A -0.3829
676 Y A 0.0000
677 L A 0.6869
678 C A 0.0000
679 N A -1.0192
680 T A -0.7614
681 P A -0.7950
682 H A -1.1710
683 H A -1.0227
684 Y A 0.0698
685 Y A 0.3904
686 G A 0.1701
687 F A 0.9100
688 P A 0.6916
689 L A 0.0000
690 K A -0.2320
691 L A 0.9465
692 F A 0.0000
693 D A -1.6809
694 T A -1.6412
695 S A -1.4317
696 S A -1.2855
697 C A -2.0571
698 K A -2.9502
699 D A -3.0367
700 S A -1.6764
701 A A -0.7089
702 P A 0.3370
703 F A 2.1458
704 E A 0.6562
705 L A 3.0687
706 L A 3.4049
707 F A 4.0440
708 I A 4.1876
709 I A 3.6599
710 S A 3.1649
711 T A 3.0566
712 S A 3.0144
713 M A 3.6680
714 L A 3.9046
715 L A 4.2329
716 V A 4.7438
717 F A 4.5603
718 I A 4.5445
719 L A 4.5934
720 V A 4.5553
721 V A 3.9190
722 L A 3.7827
723 L A 3.7408
724 I A 3.3257
725 H A 1.4126
726 I A 2.2127
727 E A -0.0276
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Laboratory of Theory of Biopolymers 2018