Project name: AtSUS

Status: done

Started: 2026-05-14 03:52:17
Settings
Chain sequence(s) A: MANAERMITRVHSQRERLNETLVSERNEVLALLSRVEAKGKGILQQNQIIAEFEALPEQTRKKLEGGPFFDLLKSTQEAIVLPPWVALAVRPRPGVWEYLRVNLHALVVEELQPAEFLHFKEELVDGVKNGNFTLELDFEPFNASIPRPTLHKYIGNGVDFLNRHLSAKLFHDKESLLPLLKFLRLHSHQGKNLMLSEKIQNLNTLQHTLRKAEEYLAELKSETLYEEFEAKFEEIGLERGWGDNAERVLDMIRLLLDLLEAPDPCTLETFLGRVPMVFNVVILSPHGYFAQDNVLGYPDTGGQVVYILDQVRALEIEMLQRIKQQGLNIKPRILILTRLLPDAVGTTCGERLERVYDSEYCDILRVPFRTEKGIVRKWISRFEVWPYLETYTEDAAVELSKELNGKPDLIIGNYSDGNLVASLLAHKLGVTQCTIAHALEKTKYPDSDIYWKKLDDKYHFSCQFTADIFAMNHTDFIITSTFQEIAGSKETVGQYESHTAFTLPGLYRVVHGIDVFDPKFNIVSPGADMSIYFPYTEEKRRLTKFHSEIEELLYSDVENKEHLCVLKDKKKPILFTMARLDRVKNLSGLVEWYGKNTRLRELANLVVVGGDRRKESKDNEEKAEMKKMYDLIEEYKLNGQFRWISSQMDRVRNGELYRYICDTKGAFVQPALYEAFGLTVVEAMTCGLPTFATCKGGPAEIIVHGKSGFHIDPYHGDQAADTLADFFTKCKEDPSHWDEISKGGLQRIEEKYTWQIYSQRLLTLTGVYGFWKHVSNLDRLEARRYLEMFYALKYRPLAQAVPLAQDD
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                                          (00:16:43)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:50)
Show buried residues

Minimal score value
-4.242
Maximal score value
1.5477
Average score
-0.8738
Total score value
-706.0617

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 0.7621
2 A A -0.2711
3 N A -1.7203
4 A A -1.6604
5 E A -2.4697
6 R A -1.8360
7 M A 0.3530
8 I A 1.5477
9 T A 0.4577
10 R A -0.5463
11 V A 0.7580
12 H A -0.5971
13 S A -0.9860
14 Q A 0.0000
15 R A -2.2070
16 E A -1.9909
17 R A -2.0446
18 L A 0.0000
19 N A -1.6865
20 E A -2.2440
21 T A 0.0000
22 L A 0.0000
23 V A 0.2101
24 S A -0.6629
25 E A -1.6965
26 R A -1.9725
27 N A -1.8526
28 E A -1.9914
29 V A 0.0000
30 L A -0.8514
31 A A -0.8929
32 L A 0.0000
33 L A 0.0000
34 S A -1.2154
35 R A -2.1256
36 V A 0.0000
37 E A -1.7460
38 A A -1.8567
39 K A -2.6424
40 G A -2.0866
41 K A -2.1556
42 G A -1.0179
43 I A -0.6323
44 L A 0.0000
45 Q A -1.3165
46 Q A -1.7292
47 N A -1.9261
48 Q A -1.5840
49 I A 0.0000
50 I A -1.2205
51 A A -1.2599
52 E A -1.7122
53 F A 0.0000
54 E A -2.1882
55 A A -1.3882
56 L A 0.0000
57 P A -1.8056
58 E A -2.9868
59 Q A -2.9762
60 T A -3.0405
61 R A -3.6202
62 K A -4.2420
63 K A -3.8234
64 L A 0.0000
65 E A -3.5226
66 G A -2.3110
67 G A -1.9091
68 P A -1.5295
69 F A 0.0000
70 F A -1.9097
71 D A -2.6383
72 L A 0.0000
73 L A 0.0000
74 K A -2.4726
75 S A -2.1131
76 T A 0.0000
77 Q A -1.1247
78 E A -0.7780
79 A A 0.0000
80 I A 0.0000
81 V A 0.0000
82 L A -0.5593
83 P A -0.6831
84 P A -0.4944
85 W A -0.1920
86 V A 0.0000
87 A A 0.0000
88 L A 0.0000
89 A A 0.0000
90 V A 0.0000
91 R A 0.0000
92 P A -1.6053
93 R A -2.0222
94 P A -1.2428
95 G A -0.1642
96 V A 0.0950
97 W A -0.0583
98 E A -0.7556
99 Y A -1.2622
100 L A 0.0000
101 R A -0.7940
102 V A 0.0000
103 N A 0.0275
104 L A -0.0431
105 H A -0.6087
106 A A 0.1113
107 L A 0.4410
108 V A 0.8347
109 V A 0.0000
110 E A -1.6119
111 E A -2.8080
112 L A -2.1265
113 Q A -2.2320
114 P A -1.4556
115 A A -1.6028
116 E A -2.4476
117 F A 0.0000
118 L A 0.0000
119 H A -1.4713
120 F A 0.0000
121 K A 0.0000
122 E A -0.6594
123 E A -0.5198
124 L A -0.0204
125 V A 0.4174
126 D A -1.1391
127 G A -0.4057
128 V A 0.1413
129 K A -2.1244
130 N A -1.9907
131 G A -1.4424
132 N A -1.2900
133 F A 0.7543
134 T A 0.3275
135 L A 0.0798
136 E A -0.7986
137 L A 0.0000
138 D A -1.2287
139 F A 0.0000
140 E A -1.2582
141 P A -0.9390
142 F A -0.8989
143 N A -0.9500
144 A A -0.4670
145 S A -0.5678
146 I A -0.3645
147 P A -0.2107
148 R A -0.2939
149 P A 0.0000
150 T A 0.1827
151 L A 0.4308
152 H A -0.6827
153 K A -1.4791
154 Y A -0.8976
155 I A 0.0000
156 G A 0.0000
157 N A -1.3821
158 G A 0.0000
159 V A 0.0000
160 D A -2.2521
161 F A -1.4584
162 L A 0.0000
163 N A 0.0000
164 R A -2.4864
165 H A -1.4432
166 L A 0.0000
167 S A 0.0000
168 A A -0.7433
169 K A -1.0605
170 L A 0.0000
171 F A -0.0534
172 H A -1.4719
173 D A -2.5130
174 K A -3.2615
175 E A -2.8330
176 S A -1.7710
177 L A 0.0000
178 L A -1.0974
179 P A -0.6770
180 L A 0.0000
181 L A 0.0000
182 K A -1.3478
183 F A 0.0000
184 L A 0.0000
185 R A -1.1206
186 L A 0.6659
187 H A 0.0000
188 S A -1.1834
189 H A -1.4736
190 Q A -2.3004
191 G A -2.0932
192 K A -2.7807
193 N A -2.1244
194 L A 0.0000
195 M A 0.0000
196 L A 0.0000
197 S A -2.7363
198 E A -3.0898
199 K A -3.1081
200 I A 0.0000
201 Q A -2.7002
202 N A -1.7407
203 L A 0.0000
204 N A -2.1509
205 T A -1.6655
206 L A 0.0000
207 Q A -2.1688
208 H A -2.4280
209 T A 0.0000
210 L A 0.0000
211 R A -3.6929
212 K A -3.1155
213 A A 0.0000
214 E A -3.0648
215 E A -3.1235
216 Y A -1.8667
217 L A 0.0000
218 A A -1.8297
219 E A -2.3385
220 L A -1.8656
221 K A -2.6917
222 S A -2.5368
223 E A -2.6304
224 T A -1.9395
225 L A -1.3736
226 Y A 0.0000
227 E A -2.8157
228 E A -2.7394
229 F A 0.0000
230 E A -2.7611
231 A A -2.4967
232 K A -2.8872
233 F A 0.0000
234 E A -3.4345
235 E A -3.2343
236 I A -1.9752
237 G A 0.0000
238 L A 0.0000
239 E A -2.0795
240 R A -1.6484
241 G A 0.0000
242 W A 0.0000
243 G A 0.0000
244 D A -1.6979
245 N A -1.9197
246 A A 0.0000
247 E A -2.7936
248 R A -2.3459
249 V A 0.0000
250 L A -1.8130
251 D A -2.0797
252 M A 0.0000
253 I A 0.0000
254 R A -2.6236
255 L A -1.4316
256 L A 0.0000
257 L A -2.3507
258 D A -2.8236
259 L A 0.0000
260 L A 0.0000
261 E A -2.4087
262 A A -1.1330
263 P A -0.9616
264 D A -1.1236
265 P A -1.0934
266 C A -0.1472
267 T A -0.4392
268 L A 0.0000
269 E A -0.7817
270 T A -0.2218
271 F A 0.0000
272 L A 0.0000
273 G A -0.8419
274 R A -1.1925
275 V A 0.0000
276 P A 0.0000
277 M A 0.0838
278 V A -0.0236
279 F A 0.0000
280 N A -1.0636
281 V A 0.0000
282 V A 0.0000
283 I A 0.0000
284 L A 0.0000
285 S A 0.0000
286 P A 0.0000
287 H A 0.0000
288 G A 0.0000
289 Y A 0.0842
290 F A 0.0000
291 A A 0.0000
292 Q A -1.0319
293 D A -2.3173
294 N A -1.7744
295 V A 0.0000
296 L A 0.1645
297 G A -0.1283
298 Y A 0.2159
299 P A -0.1703
300 D A -0.6890
301 T A 0.0000
302 G A -0.4451
303 G A -0.3611
304 Q A -0.3472
305 V A 0.0000
306 V A 0.5446
307 Y A 0.0000
308 I A 0.0000
309 L A 0.0000
310 D A -0.1881
311 Q A 0.0000
312 V A 0.0000
313 R A -0.4507
314 A A 0.0000
315 L A 0.0000
316 E A 0.0000
317 I A 1.4535
318 E A 0.0000
319 M A 0.0000
320 L A -0.4383
321 Q A -0.9355
322 R A -1.2459
323 I A 0.0000
324 K A -2.4917
325 Q A -1.8851
326 Q A 0.0000
327 G A -1.5412
328 L A 0.0000
329 N A -1.9605
330 I A -1.6486
331 K A -2.1339
332 P A 0.0000
333 R A -0.9956
334 I A 0.0000
335 L A 0.0000
336 I A 0.0000
337 L A 0.0000
338 T A 0.0000
339 R A 0.0000
340 L A -0.8235
341 L A 0.0000
342 P A -1.7059
343 D A -2.1094
344 A A -0.8067
345 V A 0.9502
346 G A -0.3061
347 T A -0.9342
348 T A -1.0607
349 C A 0.0000
350 G A -1.5606
351 E A -2.1184
352 R A -1.3261
353 L A -0.8481
354 E A -1.2693
355 R A -2.0706
356 V A 0.0000
357 Y A -0.5540
358 D A -1.9240
359 S A -1.5314
360 E A -2.3682
361 Y A -1.5182
362 C A 0.0000
363 D A 0.0000
364 I A 0.0000
365 L A 0.0000
366 R A 0.0000
367 V A 0.0000
368 P A -0.4166
369 F A 0.0000
370 R A -1.4228
371 T A -1.5086
372 E A -2.6917
373 K A -2.4817
374 G A -1.2391
375 I A -0.1249
376 V A -1.4493
377 R A -3.0938
378 K A -3.2779
379 W A -1.2069
380 I A 0.0000
381 S A -0.6109
382 R A -0.5256
383 F A -0.8661
384 E A -1.2729
385 V A 0.0000
386 W A 0.0000
387 P A -0.9571
388 Y A 0.0000
389 L A 0.0000
390 E A -1.2916
391 T A -1.2212
392 Y A 0.0000
393 T A 0.0000
394 E A -1.8811
395 D A -0.8327
396 A A 0.0000
397 A A -0.5909
398 V A 0.6473
399 E A -0.5086
400 L A 0.0000
401 S A -1.4435
402 K A -2.1775
403 E A -1.4970
404 L A -1.8060
405 N A -2.5718
406 G A -2.3743
407 K A -2.4719
408 P A 0.0000
409 D A -0.8991
410 L A 0.0000
411 I A 0.0000
412 I A 0.0000
413 G A 0.0000
414 N A 0.0000
415 Y A 0.0736
416 S A 0.0000
417 D A 0.0000
418 G A 0.0000
419 N A 0.0000
420 L A 0.0000
421 V A 0.0000
422 A A 0.0000
423 S A 0.0000
424 L A 0.0000
425 L A 0.0000
426 A A 0.0000
427 H A -1.3564
428 K A -2.0430
429 L A -1.2691
430 G A -1.1876
431 V A 0.0000
432 T A -0.3646
433 Q A 0.0000
434 C A 0.0000
435 T A 0.0000
436 I A 0.0000
437 A A 0.0000
438 H A -0.2459
439 A A -0.3643
440 L A 0.0000
441 E A 0.0000
442 K A -0.8769
443 T A -1.0170
444 K A -1.7865
445 Y A -0.8747
446 P A -0.9624
447 D A -0.9260
448 S A 0.0000
449 D A -0.7275
450 I A 0.0000
451 Y A -0.6647
452 W A 0.0000
453 K A -2.9468
454 K A -2.9445
455 L A -2.1493
456 D A -2.5040
457 D A -3.3867
458 K A -3.0209
459 Y A -1.6786
460 H A 0.0000
461 F A 0.0000
462 S A 0.0000
463 C A 0.0000
464 Q A 0.0000
465 F A 0.0000
466 T A 0.0000
467 A A 0.0000
468 D A 0.0000
469 I A 0.0000
470 F A 0.0000
471 A A 0.0000
472 M A 0.0000
473 N A -0.3177
474 H A 0.0000
475 T A 0.0000
476 D A -0.4287
477 F A 0.0000
478 I A 0.0000
479 I A 0.0000
480 T A 0.0000
481 S A 0.1548
482 T A 0.0000
483 F A 0.2445
484 Q A -0.1668
485 E A 0.0000
486 I A 0.0000
487 A A 0.0000
488 G A 0.0000
489 S A -1.6664
490 K A -3.1136
491 E A -3.0557
492 T A -1.3303
493 V A -0.5505
494 G A 0.0000
495 Q A -0.3641
496 Y A 0.0000
497 E A 0.0000
498 S A -0.0641
499 H A 0.0000
500 T A -0.2228
501 A A -0.1943
502 F A 0.0000
503 T A 0.0000
504 L A 0.0000
505 P A 0.0000
506 G A -0.5831
507 L A -0.2512
508 Y A 0.0000
509 R A 0.0000
510 V A 0.0000
511 V A 0.0000
512 H A -1.0298
513 G A 0.0000
514 I A 0.0000
515 D A -0.6261
516 V A 0.0000
517 F A 0.0000
518 D A 0.0000
519 P A 0.0000
520 K A -0.4332
521 F A 0.0000
522 N A 0.0000
523 I A 0.3640
524 V A 0.0000
525 S A -0.1612
526 P A 0.0000
527 G A 0.0000
528 A A 0.0000
529 D A -0.3248
530 M A -0.1514
531 S A -0.1536
532 I A 0.0604
533 Y A 0.0000
534 F A 0.0000
535 P A -0.6067
536 Y A -0.9083
537 T A -1.2683
538 E A -2.1936
539 E A -3.1960
540 K A -3.2397
541 R A -2.6156
542 R A 0.0000
543 L A -0.9674
544 T A -1.5229
545 K A -1.9150
546 F A -1.5242
547 H A -1.8372
548 S A -2.2678
549 E A -2.9463
550 I A 0.0000
551 E A -2.7593
552 E A -3.0301
553 L A 0.0000
554 L A 0.0000
555 Y A 0.0000
556 S A -1.6595
557 D A -1.7388
558 V A -0.1119
559 E A -1.6367
560 N A -2.3840
561 K A -3.3309
562 E A -2.1941
563 H A 0.0000
564 L A -0.9570
565 C A 0.0000
566 V A -1.3678
567 L A 0.0000
568 K A -3.2297
569 D A -3.0309
570 K A -3.4217
571 K A -3.2631
572 K A -2.5329
573 P A 0.0000
574 I A 0.0000
575 L A 0.0000
576 F A 0.0000
577 T A 0.0000
578 M A -0.3312
579 A A -0.9651
580 R A -2.0564
581 L A 0.0000
582 D A 0.0000
583 R A -1.6649
584 V A 0.4626
585 K A -0.4029
586 N A -0.5001
587 L A 0.0000
588 S A 0.0000
589 G A -0.2586
590 L A 0.0000
591 V A 0.0000
592 E A -1.4448
593 W A 0.0000
594 Y A 0.0000
595 G A 0.0000
596 K A -2.4863
597 N A -2.2949
598 T A -1.5866
599 R A -2.2451
600 L A 0.0000
601 R A -1.7669
602 E A -2.2890
603 L A -1.5069
604 A A 0.0000
605 N A 0.0000
606 L A 0.0000
607 V A 0.0000
608 V A 0.0000
609 V A 0.0000
610 G A 0.0000
611 G A 0.0000
612 D A -2.2184
613 R A 0.0000
614 R A -3.4221
615 K A -3.7596
616 E A -3.6462
617 S A -3.2768
618 K A -3.2851
619 D A -2.8418
620 N A -2.8782
621 E A -2.7947
622 E A -3.1248
623 K A -3.3061
624 A A -2.4199
625 E A -2.3465
626 M A -1.9140
627 K A -2.7121
628 K A -2.3970
629 M A 0.0000
630 Y A -1.5681
631 D A -3.3905
632 L A 0.0000
633 I A -2.4036
634 E A -3.8306
635 E A -3.6562
636 Y A -2.8046
637 K A -3.3425
638 L A 0.0000
639 N A -2.2563
640 G A -1.9537
641 Q A -1.9499
642 F A 0.0000
643 R A 0.0000
644 W A 0.0000
645 I A 0.0000
646 S A 0.0000
647 S A -0.6652
648 Q A -0.1639
649 M A 0.5689
650 D A -0.5051
651 R A -0.5645
652 V A 0.2355
653 R A -0.5602
654 N A 0.0000
655 G A 0.0000
656 E A 0.0000
657 L A 0.0000
658 Y A 0.0000
659 R A 0.0000
660 Y A -0.5105
661 I A 0.0000
662 C A 0.0000
663 D A -1.3985
664 T A -1.7989
665 K A -2.2817
666 G A 0.0000
667 A A 0.0000
668 F A 0.0000
669 V A 0.0000
670 Q A 0.0000
671 P A 0.0000
672 A A 0.0000
673 L A 0.9690
674 Y A 1.0336
675 E A 0.5100
676 A A 0.1593
677 F A 0.2162
678 G A 0.0000
679 L A 0.4864
680 T A 0.2842
681 V A 0.0000
682 V A 0.0000
683 E A 0.0000
684 A A 0.0000
685 M A 0.0000
686 T A 0.0000
687 C A 0.0000
688 G A 0.0000
689 L A 0.0000
690 P A 0.0000
691 T A 0.0000
692 F A 0.0000
693 A A 0.0000
694 T A 0.0000
695 C A -0.1770
696 K A -0.0530
697 G A 0.0000
698 G A 0.0000
699 P A 0.0000
700 A A -0.3041
701 E A -0.4140
702 I A 0.0000
703 I A 0.0000
704 V A -0.4812
705 H A -1.2917
706 G A -1.5376
707 K A -2.3397
708 S A 0.0000
709 G A 0.0000
710 F A -0.4997
711 H A -0.4825
712 I A 0.0000
713 D A -0.6589
714 P A 0.0000
715 Y A 0.3461
716 H A -1.4176
717 G A -1.8956
718 D A -3.1743
719 Q A -2.6569
720 A A 0.0000
721 A A 0.0000
722 D A -2.4517
723 T A -1.5527
724 L A 0.0000
725 A A 0.0000
726 D A -2.3861
727 F A 0.0000
728 F A 0.0000
729 T A -2.6730
730 K A -3.2949
731 C A -3.0867
732 K A -3.5279
733 E A -3.6907
734 D A -3.1334
735 P A -2.6574
736 S A -2.1082
737 H A -2.4449
738 W A 0.0000
739 D A -2.8060
740 E A -3.2073
741 I A 0.0000
742 S A 0.0000
743 K A -2.8515
744 G A 0.0000
745 G A 0.0000
746 L A -1.9186
747 Q A -3.1038
748 R A -2.7015
749 I A 0.0000
750 E A -3.5932
751 E A -3.6065
752 K A -3.0602
753 Y A 0.0000
754 T A 0.0000
755 W A 0.0000
756 Q A -1.1273
757 I A -1.2757
758 Y A 0.0000
759 S A 0.0000
760 Q A -1.0825
761 R A -0.9029
762 L A 0.0000
763 L A 0.0000
764 T A -0.6550
765 L A 0.0000
766 T A 0.0000
767 G A 0.0000
768 V A 0.0000
769 Y A 0.0000
770 G A 0.0000
771 F A 0.0000
772 W A -0.2041
773 K A -0.6473
774 H A -0.2794
775 V A -0.1562
776 S A 0.0000
777 N A -0.4271
778 L A 0.3521
779 D A -1.1322
780 R A -1.3144
781 L A -1.0802
782 E A -2.4807
783 A A 0.0000
784 R A -2.1683
785 R A -2.8190
786 Y A -1.5810
787 L A 0.0000
788 E A -1.7684
789 M A -0.2599
790 F A 0.0000
791 Y A 0.0000
792 A A 0.0305
793 L A 0.9830
794 K A 0.0174
795 Y A 0.0000
796 R A -1.6178
797 P A -0.9755
798 L A -0.6147
799 A A 0.0000
800 Q A -1.5574
801 A A -0.7122
802 V A 0.0000
803 P A -0.6512
804 L A -0.2373
805 A A -1.4465
806 Q A -2.7559
807 D A -3.5928
808 D A -3.1477
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Laboratory of Theory of Biopolymers 2018