Project name: a3d_d1428-1511

Status: done

Started: 2026-06-17 10:38:50
Settings
Chain sequence(s) A: MRLSTALNEYKRTRHERFPEERRTVSGSFSGHGDRLVHVGEDGTLKDYSDSLSGLSGIDRSRLGVMLGDETRWFSDLETIRQHYYRETRLVETEYDAGSFTVHQYDLTLGRAHVTHVAMRGAVPQDAKLVAFVTLAPDSSDSGVGSLIHEDAGPDNSRVLEVYHRREHDYLASSTGLDAVAGQRPERLAEILDDNPVPFPRSEPVERRDQTRLTGDFLVTAPLDRSGRSKDTTLVSQLSNHDEVDRETALLDLADCVTEHTTSDDLRQAGRERTRIDVAEAMPRSDSIRMDLRVLDLLSSPTGGRIAAPEFDPFYSNSGGYGYVWFRDDASVSRHLLEAGARLDIDTREMLTESTEFLCDSQLSDGRWPHRVWADTGAIAPGWANARVEHNAESPEYQADQSATVTAFLATVLRTHRGELDADLTATIRETIDAAVDTLIEDIAANDLPEPCQNVWEDSIGQFTHTTATFIEAFAAVARAPMGESVRERSLTAADRLLDGLDTLWDGDLGVYVMGLTNGTPDHRIDAAGLHLADALQEYDSVESATLSDQHLTRLADHVSTTLDTLFRNPTESRVAGLARYEGDRWRTGHQDSEKVWTVTTAMGALAAARVGDMLNDRDERGDAYLDRASDLYELLEDDGPLTTDAGYLAEQAFDDGDLDSATPLGWSHALRLHATARLGELNALPTTSAGTEGPSERPTWTTGEKYGIGTVADHDEQDPSRVWFTLTEGALTEARYPQVDLMNLRTLDFLVRCTDETDYAVRTHRENRRTDDSVRRRVEPVDDEALLYRHVFTETGDGQGHEWTLTVDYATDPEHDAIVADVSFSADDDKSYDVFSVADIALTSTVTEDRAIRYGQPGSYHLVGRNPRAYTDQTDNDLLVDENGDAYSIAVAMAAAGRFDWATVGAAGSDHLDGLYSDGDLPDPVESIDGTNLVLIGRLDSGTRVSDTVALGFARQADTAAALGEADGALDRGYETVRAEYADSWADFLSDKQLPDSVAGDEDLANQYRTALMTLLAVEDKTYHGASIASPSVPWGEAVHAEEPKGYGYNFVWSRDLYQVFSVFDAIGSLDIATDQLEYIYEYQQDDAGFIPQNTYVNGTTRWGGEQMDNISFPQVMAYRLAESGVDFDDVEYSYENVRRSAEYVVRHGPETAQERWEEEAGFSPSSIAAEIAGLACAAKLALDTGHEADALVWLALADQWANNVEAWTATETGTDRHTTTPYYTRVTLDGNPEMGHLRTLANDGPTLDERNIIDGGFLELVRLGIKPDDDETIRNSLVEVDDTISVDTEYAPGFYRYNGDGYGERGRDDQGAPWTVEHKGKGRLWPLLTGERAEYELHRDDPDITPENALRMMQDVANSGRMIAEQIWDRGHATEYDWEFAEGTGSATPLAWSMAQYVRLAHGISAGEPVETPAFVDDRYRERRA
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                                          (00:22:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:08)
Show buried residues

Minimal score value
-4.6018
Maximal score value
2.002
Average score
-0.7848
Total score value
-1119.9784

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 0.0894
2 R A 0.0000
3 L A 0.9739
4 S A 0.3290
5 T A 0.0000
6 A A 0.6660
7 L A 0.8581
8 N A 0.0000
9 E A -0.4328
10 Y A -0.4952
11 K A -1.5554
12 R A -1.7794
13 T A -1.8510
14 R A -2.2460
15 H A -2.4940
16 E A -2.9481
17 R A -2.3502
18 F A -1.2148
19 P A -1.5352
20 E A -0.6899
21 E A -0.4158
22 R A 0.0000
23 R A -0.5344
24 T A 0.0000
25 V A -0.2524
26 S A -0.7220
27 G A 0.0000
28 S A 0.0000
29 F A 0.0000
30 S A 0.0000
31 G A 0.0000
32 H A -0.7384
33 G A -0.7616
34 D A -0.7924
35 R A 0.0000
36 L A 0.0000
37 V A 0.0000
38 H A 0.0000
39 V A 0.0000
40 G A 0.0000
41 E A -1.6446
42 D A -2.0824
43 G A 0.0000
44 T A 0.0000
45 L A 0.0000
46 K A -0.4911
47 D A 0.0000
48 Y A 0.0000
49 S A 0.0000
50 D A -0.5469
51 S A 0.0000
52 L A 0.0000
53 S A -0.5788
54 G A -0.5097
55 L A 0.0000
56 S A 0.0000
57 G A 0.0000
58 I A 0.0000
59 D A 0.0000
60 R A 0.0000
61 S A 0.0000
62 R A -0.6702
63 L A 0.0000
64 G A 0.0000
65 V A 0.0000
66 M A -1.3355
67 L A -1.8229
68 G A -2.3640
69 D A -2.9507
70 E A -2.8407
71 T A -1.7813
72 R A -1.4487
73 W A -1.2598
74 F A 0.0000
75 S A -1.9758
76 D A -2.5184
77 L A -2.0090
78 E A -2.7393
79 T A -1.6533
80 I A -1.2280
81 R A -1.1454
82 Q A -0.9963
83 H A -0.9150
84 Y A -0.5621
85 Y A -0.9994
86 R A -2.3792
87 E A -2.1268
88 T A 0.0000
89 R A -0.7948
90 L A 0.0000
91 V A 0.0000
92 E A 0.0000
93 T A 0.0000
94 E A 0.0000
95 Y A 0.0000
96 D A -1.1689
97 A A 0.0000
98 G A -0.8959
99 S A -0.8646
100 F A 0.0000
101 T A -1.0985
102 V A 0.0000
103 H A -0.5438
104 Q A 0.0000
105 Y A 0.0000
106 D A 0.0000
107 L A 0.0000
108 T A 0.0000
109 L A -0.2833
110 G A -0.5295
111 R A -0.8516
112 A A 0.0000
113 H A 0.0000
114 V A 0.0000
115 T A 0.0000
116 H A 0.0000
117 V A 0.0000
118 A A 0.0000
119 M A 0.0000
120 R A -2.5352
121 G A -1.9601
122 A A -1.4311
123 V A -1.4010
124 P A -1.6013
125 Q A -2.3316
126 D A -2.6515
127 A A 0.0000
128 K A -1.2265
129 L A 0.0000
130 V A 0.0000
131 A A 0.0000
132 F A 0.0000
133 V A 0.0000
134 T A 0.0000
135 L A 0.0000
136 A A 0.0000
137 P A 0.0000
138 D A -1.2267
139 S A -0.5930
140 S A -1.2491
141 D A -1.8840
142 S A -1.1848
143 G A -0.9287
144 V A 0.0000
145 G A -0.0167
146 S A 0.0000
147 L A 0.3543
148 I A -0.3835
149 H A -1.6168
150 E A -3.1665
151 D A -3.8138
152 A A -2.1080
153 G A -2.0084
154 P A -2.0212
155 D A -2.8567
156 N A -3.5751
157 S A -2.9507
158 R A -2.6680
159 V A 0.0000
160 L A 0.0000
161 E A 0.0000
162 V A 0.0000
163 Y A -0.3096
164 H A -1.5450
165 R A -2.5958
166 R A -2.4215
167 E A 0.0000
168 H A 0.0000
169 D A 0.0000
170 Y A 0.0000
171 L A 0.0000
172 A A 0.0000
173 S A 0.0000
174 S A -0.7923
175 T A -0.9741
176 G A 0.0000
177 L A 0.0000
178 D A -1.2194
179 A A -0.4174
180 V A 0.1358
181 A A 0.1394
182 G A 0.0000
183 Q A 0.0000
184 R A -0.9419
185 P A -0.6404
186 E A -0.7097
187 R A -0.6909
188 L A 1.1218
189 A A 0.4657
190 E A -0.7161
191 I A 0.4880
192 L A 0.7204
193 D A -1.7093
194 D A -2.6985
195 N A -2.5627
196 P A -1.4084
197 V A 0.0000
198 P A -0.4948
199 F A 0.0000
200 P A -0.3518
201 R A 0.0000
202 S A -0.8069
203 E A -1.5004
204 P A -1.4142
205 V A -2.0085
206 E A -3.2849
207 R A -3.9359
208 R A -3.4595
209 D A -2.2238
210 Q A -1.7983
211 T A -1.6108
212 R A -1.0578
213 L A 0.4866
214 T A 0.0000
215 G A 0.0000
216 D A 0.0000
217 F A 0.0000
218 L A 0.2995
219 V A 0.0000
220 T A 0.0000
221 A A 0.0000
222 P A -1.2768
223 L A -1.8255
224 D A -2.8737
225 R A -3.2651
226 S A -2.1802
227 G A -1.9824
228 R A -2.5023
229 S A 0.0000
230 K A -2.4584
231 D A -1.7583
232 T A 0.0000
233 T A 0.0000
234 L A 0.0000
235 V A 0.0000
236 S A 0.0000
237 Q A 0.0000
238 L A 0.0000
239 S A 0.0000
240 N A -2.1754
241 H A -2.8382
242 D A -3.4527
243 E A -3.1247
244 V A -2.4977
245 D A -3.2538
246 R A -2.1935
247 E A -2.3852
248 T A -1.4577
249 A A 0.0000
250 L A -0.9247
251 L A -0.2631
252 D A -1.9415
253 L A 0.0000
254 A A -1.2784
255 D A -2.4581
256 C A -1.6560
257 V A 0.0000
258 T A -1.7818
259 E A -2.4679
260 H A -1.8554
261 T A -1.1767
262 T A -1.2030
263 S A -1.3922
264 D A -2.5422
265 D A -2.3940
266 L A 0.0000
267 R A -2.4688
268 Q A -2.9151
269 A A 0.0000
270 G A 0.0000
271 R A -3.1045
272 E A -2.9984
273 R A -2.1190
274 T A -1.9133
275 R A -2.0815
276 I A -1.7207
277 D A -2.5006
278 V A 0.0000
279 A A -1.3902
280 E A -2.2946
281 A A -0.8210
282 M A -0.7696
283 P A -0.8866
284 R A -1.3853
285 S A 0.0000
286 D A -2.7302
287 S A 0.0000
288 I A 0.0000
289 R A -1.6784
290 M A 0.0000
291 D A 0.0000
292 L A 0.0000
293 R A 0.0000
294 V A 0.0000
295 L A 0.0000
296 D A -0.3847
297 L A 0.0000
298 L A 0.0000
299 S A -0.3913
300 S A 0.0000
301 P A -0.6484
302 T A -0.7093
303 G A 0.0000
304 G A 0.0000
305 R A 0.0000
306 I A 0.0000
307 A A 0.0000
308 A A 0.0000
309 P A 0.0000
310 E A 0.0000
311 F A 0.0000
312 D A 0.0000
313 P A 0.6815
314 F A 1.3351
315 Y A 1.1242
316 S A 0.3077
317 N A -0.0204
318 S A 0.2491
319 G A 0.3689
320 G A 0.0000
321 Y A 0.2107
322 G A 0.0000
323 Y A 0.0000
324 V A 0.0000
325 W A 0.0000
326 F A 0.0000
327 R A 0.0000
328 D A -0.1558
329 D A 0.0000
330 A A 0.0000
331 S A 0.0000
332 V A 0.0000
333 S A 0.0000
334 R A 0.0000
335 H A 0.0000
336 L A 0.0000
337 L A 0.0000
338 E A -0.4215
339 A A 0.0000
340 G A 0.0000
341 A A -1.1893
342 R A -1.5701
343 L A -1.5170
344 D A -2.3196
345 I A 0.0000
346 D A -3.1865
347 T A 0.0000
348 R A -3.0882
349 E A -2.9758
350 M A 0.0000
351 L A 0.0000
352 T A -1.9860
353 E A -1.6807
354 S A 0.0000
355 T A 0.0000
356 E A -2.0610
357 F A 0.0000
358 L A 0.0000
359 C A 0.0000
360 D A -2.2127
361 S A -1.0437
362 Q A -0.8367
363 L A -0.3366
364 S A -0.5667
365 D A -1.0777
366 G A 0.0000
367 R A -0.3881
368 W A 0.0000
369 P A 0.0000
370 H A 0.0000
371 R A 0.0000
372 V A 0.0000
373 W A 0.3998
374 A A 0.0000
375 D A -0.6617
376 T A -0.1552
377 G A -0.1493
378 A A 0.5624
379 I A 1.3367
380 A A 0.0000
381 P A 0.2353
382 G A 0.2990
383 W A 0.5113
384 A A 0.0000
385 N A -0.5114
386 A A 0.0000
387 R A -1.5100
388 V A -0.4194
389 E A -2.2150
390 H A -2.3110
391 N A -2.5866
392 A A -1.8975
393 E A -2.4066
394 S A -1.8989
395 P A -1.1911
396 E A -1.1124
397 Y A 0.0000
398 Q A 0.0000
399 A A 0.0000
400 D A 0.0000
401 Q A 0.0000
402 S A 0.0000
403 A A 0.0000
404 T A -0.0337
405 V A 0.0000
406 T A 0.0000
407 A A 0.0000
408 F A 0.0000
409 L A 0.0000
410 A A 0.0000
411 T A -0.4235
412 V A 0.0000
413 L A 0.0000
414 R A -0.8751
415 T A -0.9629
416 H A -2.0288
417 R A -2.6186
418 G A -2.3584
419 E A -3.0892
420 L A -2.6317
421 D A -2.9642
422 A A -2.0787
423 D A -2.2679
424 L A 0.0000
425 T A -1.9757
426 A A -1.5069
427 T A -1.8626
428 I A 0.0000
429 R A -1.8631
430 E A -2.4904
431 T A 0.0000
432 I A 0.0000
433 D A -2.2701
434 A A -1.7258
435 A A 0.0000
436 V A 0.0000
437 D A -2.1499
438 T A 0.0000
439 L A 0.0000
440 I A -0.9741
441 E A -2.0956
442 D A 0.0000
443 I A 0.0000
444 A A -1.0024
445 A A -0.5476
446 N A -1.3124
447 D A -1.7758
448 L A 0.0000
449 P A 0.0000
450 E A -1.6575
451 P A -1.1165
452 C A 0.0000
453 Q A 0.0000
454 N A 0.0000
455 V A 0.0000
456 W A -0.3750
457 E A -0.6961
458 D A -1.1652
459 S A -0.4365
460 I A 0.0259
461 G A 0.0000
462 Q A 0.0000
463 F A 0.0000
464 T A 0.0000
465 H A 0.0000
466 T A 0.0000
467 T A 0.0000
468 A A 0.0000
469 T A 0.0000
470 F A 0.0000
471 I A 0.0000
472 E A 0.0000
473 A A 0.0000
474 F A 0.0000
475 A A 0.0000
476 A A 0.0000
477 V A 0.0000
478 A A 0.0000
479 R A -1.1654
480 A A 0.0000
481 P A -0.9101
482 M A -1.5014
483 G A -1.8005
484 E A -2.8426
485 S A -2.1767
486 V A 0.0000
487 R A -2.6561
488 E A -3.0431
489 R A -2.3135
490 S A 0.0000
491 L A -1.2672
492 T A -1.1978
493 A A 0.0000
494 A A 0.0000
495 D A -1.7041
496 R A -1.8899
497 L A 0.0000
498 L A 0.0000
499 D A -2.9463
500 G A 0.0000
501 L A 0.0000
502 D A -2.3948
503 T A -1.3657
504 L A 0.0000
505 W A -1.0113
506 D A -1.2447
507 G A -1.4339
508 D A -1.7716
509 L A -0.7535
510 G A -1.0536
511 V A 0.0000
512 Y A 0.0000
513 V A 0.0000
514 M A 0.0000
515 G A 0.0000
516 L A 0.0000
517 T A -0.7788
518 N A -1.4906
519 G A -1.2612
520 T A -0.9390
521 P A -0.9662
522 D A -1.2011
523 H A -1.4414
524 R A -1.3939
525 I A 0.0000
526 D A 0.0000
527 A A 0.0000
528 A A 0.0000
529 G A 0.0000
530 L A 0.0000
531 H A -0.1163
532 L A 0.0000
533 A A 0.0000
534 D A 0.0000
535 A A 0.0000
536 L A 0.0000
537 Q A -0.5851
538 E A -0.6013
539 Y A 0.0000
540 D A -1.0630
541 S A -1.1068
542 V A 0.0000
543 E A -2.1552
544 S A -1.4055
545 A A -0.9127
546 T A -0.8414
547 L A 0.0000
548 S A -1.5093
549 D A -2.6181
550 Q A -2.2856
551 H A -1.8323
552 L A 0.0000
553 T A -1.6063
554 R A -1.6620
555 L A 0.0000
556 A A -1.0021
557 D A -1.6628
558 H A 0.0000
559 V A 0.0000
560 S A -1.1925
561 T A -0.9862
562 T A 0.0000
563 L A 0.0000
564 D A -1.6653
565 T A -0.8647
566 L A 0.0000
567 F A -0.2937
568 R A -0.8777
569 N A -1.8756
570 P A 0.0000
571 T A -1.9044
572 E A -3.0614
573 S A -2.9142
574 R A -2.8106
575 V A 0.0000
576 A A 0.0000
577 G A 0.0000
578 L A 0.0000
579 A A 0.0000
580 R A 0.0000
581 Y A 0.0000
582 E A -1.4888
583 G A -1.6113
584 D A 0.0000
585 R A -2.3692
586 W A -0.9566
587 R A 0.0000
588 T A -1.5299
589 G A -1.6051
590 H A -1.8501
591 Q A -2.2246
592 D A -2.6425
593 S A -1.9028
594 E A -1.5170
595 K A 0.0000
596 V A 0.0000
597 W A 0.0000
598 T A 0.0000
599 V A 0.0000
600 T A 0.0000
601 T A 0.0000
602 A A 0.0000
603 M A 0.0000
604 G A 0.0000
605 A A 0.0000
606 L A 0.0000
607 A A 0.0000
608 A A 0.0000
609 A A 0.0000
610 R A 0.0000
611 V A 0.0000
612 G A 0.0000
613 D A -2.0866
614 M A 0.0000
615 L A 0.0000
616 N A -3.9522
617 D A -3.6042
618 R A -3.6934
619 D A -4.1774
620 E A -4.6018
621 R A -4.0614
622 G A 0.0000
623 D A -3.1832
624 A A -1.9073
625 Y A -1.7169
626 L A -2.1054
627 D A -2.9174
628 R A -2.3448
629 A A 0.0000
630 S A -2.2773
631 D A -3.0701
632 L A 0.0000
633 Y A 0.0000
634 E A -2.8748
635 L A 0.0000
636 L A 0.0000
637 E A -2.1338
638 D A -2.7545
639 D A -2.8804
640 G A -2.2121
641 P A -1.6003
642 L A 0.0000
643 T A -1.0902
644 T A 0.0000
645 D A -2.3569
646 A A -1.2238
647 G A -1.5328
648 Y A 0.0000
649 L A 0.0000
650 A A 0.0000
651 E A 0.0000
652 Q A 0.0000
653 A A 0.0000
654 F A 0.0000
655 D A -2.6339
656 D A -3.2621
657 G A -2.5765
658 D A -2.1784
659 L A -0.8026
660 D A 0.0000
661 S A 0.0000
662 A A 0.0000
663 T A 0.0000
664 P A 0.0000
665 L A 0.0000
666 G A 0.0000
667 W A 0.0789
668 S A 0.0000
669 H A 0.0000
670 A A 0.0000
671 L A 0.0000
672 R A 0.0000
673 L A 0.0000
674 H A 0.0000
675 A A 0.0000
676 T A 0.0000
677 A A 0.0000
678 R A 0.0000
679 L A 0.0000
680 G A -1.5659
681 E A -2.2666
682 L A -1.3516
683 N A -1.8549
684 A A 0.0000
685 L A 0.0000
686 P A -1.4402
687 T A -0.6780
688 T A -0.9241
689 S A -0.9191
690 A A -1.1008
691 G A -1.6640
692 T A -1.5734
693 E A -1.8069
694 G A -1.5822
695 P A 0.0000
696 S A -2.0079
697 E A -2.9463
698 R A -3.1766
699 P A 0.0000
700 T A -1.2222
701 W A 0.0000
702 T A 0.0000
703 T A -0.2307
704 G A 0.0000
705 E A 0.0000
706 K A 0.0000
707 Y A -0.4274
708 G A 0.0000
709 I A 0.0000
710 G A 0.0000
711 T A 0.0000
712 V A 0.0000
713 A A -1.0560
714 D A -1.9962
715 H A 0.0000
716 D A -3.3186
717 E A -3.9039
718 Q A -3.3989
719 D A -3.5360
720 P A 0.0000
721 S A 0.0000
722 R A -0.5914
723 V A 0.0000
724 W A 0.0000
725 F A 0.0000
726 T A 0.0000
727 L A 0.0000
728 T A 0.0000
729 E A -1.0816
730 G A 0.0000
731 A A 0.0000
732 L A 0.0000
733 T A 0.0000
734 E A 0.0000
735 A A 0.0000
736 R A 0.0000
737 Y A 0.0000
738 P A 0.0000
739 Q A 0.0000
740 V A 0.0000
741 D A 0.0000
742 L A 0.0000
743 M A 0.0000
744 N A 0.0000
745 L A 0.0000
746 R A 0.0000
747 T A 0.0000
748 L A 0.0000
749 D A 0.0000
750 F A 0.0000
751 L A 0.0000
752 V A 0.0000
753 R A -1.1359
754 C A 0.0000
755 T A -1.7133
756 D A -2.5277
757 E A -2.4381
758 T A -2.3534
759 D A -3.0863
760 Y A 0.0000
761 A A 0.0000
762 V A 0.0000
763 R A 0.0000
764 T A 0.0000
765 H A 0.0000
766 R A -1.4025
767 E A -1.1553
768 N A -1.5650
769 R A -2.4673
770 R A -3.5080
771 T A -2.5830
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1427 A A -2.0340
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Laboratory of Theory of Biopolymers 2018