Project name: SrSUS

Status: done

Started: 2026-05-14 03:53:01
Settings
Chain sequence(s) A: MAERVLTRVHSLRERLDSTLATHRNEILLFLSRIESHGKGILKPHQVMTEFEAICKEDQSKLSDGAFYEVLKCTQEAIVQPPWVALAIRLRPGVWEYVRVNVNVLVVEELSVPEYLHFKEELVNGTSNGNFVLELDFEPFTASFPRPTLTKSIGNGVEFLNRHLSAKMFHDKDSMHPLLDFLRTHHYKGKTMMLNDRIQNLNALQSVLRKASEYLSTLDAATPYSQFEHKFQEIGLERGWGDKAEVVMEMIHMLLDLLEAPDACTLEKFLGRIPMVFNVVILSPHGYFAQENVLGYPDTGGQVVYILDQVPALEREMLKRIKEQGLDIIPRILIVTRLLPDAVGTTCGQRLEKVFGAEHSHILRVPFRTEKGILRKWISRFEVWPYIETFTEDVAKEVTAELQAKPDLIIGNYSEGNLVASLLAHKLGVTQCTIAHALEKTKYPDSDIYWKNFEEKYHFSSQFTADLIAMNHTDFIITSTFQEIAGSKDTVGQYESHTAFTMPGLYRVVHGIDVFDPKFNIVSPGADMGIYYSYTEKEKRLTALHPEIDELLFSSVENEEHLCVLKDKSKPILFTMARLDNVKNLTGLVEWYAKNDRLRELVNLVVVGGDRRKESKDLEEQAQMKKMHELIETYKLNGQFRWISSQMNRVRNGELYRVIADTRGAFIQPAFYEAFGLTVVEAMTCGLPTFATLHGGPAEIIVHGKSGFHIDPYHGDQVTELLVNFFEKTKQDPGHWEAISKGGLQRIQEKYTWQIYSDRLLTLAGVYGFWKHVSKLDRLEIRRYLEMFYALKYRKLAESVPLAVDELEHHHHHH
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                                          (00:17:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:31)
Show buried residues

Minimal score value
-4.1242
Maximal score value
1.5537
Average score
-0.8191
Total score value
-666.7653

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 0.3240
2 A A -0.5636
3 E A -1.6741
4 R A -1.2964
5 V A 0.8488
6 L A 1.4719
7 T A 0.4172
8 R A -0.6129
9 V A 0.6641
10 H A -0.7111
11 S A -1.2675
12 L A 0.0000
13 R A -2.5781
14 E A -2.0466
15 R A -1.6613
16 L A 0.0000
17 D A -2.5229
18 S A -1.7152
19 T A 0.0000
20 L A 0.0000
21 A A -1.1976
22 T A -1.3106
23 H A -1.8027
24 R A -2.5627
25 N A -2.0015
26 E A 0.0000
27 I A 0.0000
28 L A -0.4507
29 L A -0.4069
30 F A 0.0000
31 L A 0.0000
32 S A -0.9471
33 R A -1.5177
34 I A 0.0000
35 E A -1.6611
36 S A -1.5687
37 H A -1.7515
38 G A -1.7808
39 K A -2.1252
40 G A -0.9142
41 I A -0.5584
42 L A 0.0000
43 K A -1.3071
44 P A -1.6276
45 H A -1.7415
46 Q A -1.4769
47 V A 0.0000
48 M A -1.3883
49 T A -1.2293
50 E A -1.3769
51 F A 0.0000
52 E A -2.1744
53 A A -1.2230
54 I A 0.0000
55 C A -1.3848
56 K A -3.0446
57 E A -3.0899
58 D A -2.5281
59 Q A -2.4852
60 S A -2.4766
61 K A -2.8099
62 L A 0.0000
63 S A -1.8341
64 D A -2.5388
65 G A -1.8114
66 A A -1.5966
67 F A 0.0000
68 Y A -1.7352
69 E A -2.5431
70 V A 0.0000
71 L A 0.0000
72 K A -2.5428
73 C A -1.7965
74 T A 0.0000
75 Q A -0.9827
76 E A -0.6895
77 A A 0.0000
78 I A 0.0000
79 V A 0.0000
80 Q A -1.0411
81 P A -1.1086
82 P A -0.6355
83 W A -0.4899
84 V A 0.0000
85 A A 0.0000
86 L A 0.0000
87 A A 0.0000
88 I A 0.0000
89 R A 0.0000
90 L A -0.5492
91 R A -0.6858
92 P A 0.0000
93 G A 0.2262
94 V A 0.1829
95 W A 0.0042
96 E A -1.0286
97 Y A 0.0000
98 V A 0.0000
99 R A -0.9147
100 V A 0.0000
101 N A 0.2390
102 V A 0.0000
103 N A -0.2028
104 V A 1.5537
105 L A 0.5449
106 V A 0.7802
107 V A 0.0000
108 E A -1.8258
109 E A -2.8063
110 L A -1.7347
111 S A -1.1503
112 V A -0.5550
113 P A -0.9898
114 E A -1.9548
115 Y A 0.0000
116 L A 0.0000
117 H A -1.0894
118 F A 0.0000
119 K A 0.0000
120 E A 0.0000
121 E A -0.6723
122 L A -0.1232
123 V A 0.5230
124 N A -1.1221
125 G A -0.7189
126 T A -0.8266
127 S A -1.4264
128 N A -1.8684
129 G A -1.1844
130 N A -0.7790
131 F A 1.2456
132 V A 0.8840
133 L A 0.2894
134 E A -0.6563
135 L A 0.0000
136 D A -1.4036
137 F A 0.0000
138 E A -1.8542
139 P A -1.0934
140 F A -0.8353
141 T A -0.9361
142 A A -0.5295
143 S A -0.5506
144 F A -0.2589
145 P A -0.4107
146 R A -0.7982
147 P A 0.0000
148 T A 0.0961
149 L A 0.4949
150 T A -0.2930
151 K A -1.4187
152 S A -1.0245
153 I A 0.0000
154 G A 0.0000
155 N A -1.4500
156 G A 0.0000
157 V A 0.0000
158 E A -2.2974
159 F A -1.5818
160 L A 0.0000
161 N A 0.0000
162 R A -2.6324
163 H A -1.6751
164 L A 0.0000
165 S A 0.0000
166 A A -1.1833
167 K A -2.3173
168 M A 0.0000
169 F A -0.4517
170 H A -1.8250
171 D A -3.0566
172 K A -3.5025
173 D A -3.2980
174 S A -2.2356
175 M A 0.0000
176 H A -1.6124
177 P A -0.8489
178 L A 0.0000
179 L A 0.0000
180 D A -1.4697
181 F A 0.0000
182 L A 0.0000
183 R A -1.6120
184 T A -0.8418
185 H A 0.0000
186 H A -1.9369
187 Y A -1.6454
188 K A -2.6006
189 G A -2.1361
190 K A -2.3990
191 T A -1.8512
192 M A 0.0000
193 M A 0.0000
194 L A 0.0000
195 N A -2.2362
196 D A -3.1271
197 R A -3.3724
198 I A 0.0000
199 Q A -2.7283
200 N A -1.8411
201 L A -1.6847
202 N A -1.6328
203 A A -1.3277
204 L A 0.0000
205 Q A -1.6835
206 S A -1.5451
207 V A -1.5794
208 L A 0.0000
209 R A -3.2014
210 K A -2.9999
211 A A 0.0000
212 S A -2.2984
213 E A -2.7052
214 Y A -1.4323
215 L A 0.0000
216 S A -1.1653
217 T A -0.6656
218 L A -1.0544
219 D A -2.0363
220 A A -1.5308
221 A A -1.1893
222 T A -1.4933
223 P A -1.4728
224 Y A 0.0000
225 S A -1.3888
226 Q A -1.8835
227 F A 0.0000
228 E A -2.1067
229 H A -2.7330
230 K A -2.9577
231 F A 0.0000
232 Q A -2.4963
233 E A -3.0109
234 I A -1.9780
235 G A 0.0000
236 L A 0.0000
237 E A -1.2092
238 R A -1.0038
239 G A 0.0000
240 W A 0.0000
241 G A 0.0000
242 D A -2.5127
243 K A -2.2248
244 A A 0.0000
245 E A -2.5649
246 V A -1.6135
247 V A 0.0000
248 M A -1.6017
249 E A -2.1336
250 M A 0.0000
251 I A 0.0000
252 H A -1.7281
253 M A -1.6481
254 L A 0.0000
255 L A 0.0000
256 D A -2.6563
257 L A 0.0000
258 L A 0.0000
259 E A -2.4532
260 A A -1.3688
261 P A 0.0000
262 D A -1.3193
263 A A -1.4323
264 C A -0.6229
265 T A -0.8242
266 L A 0.0000
267 E A -1.6843
268 K A -1.3467
269 F A 0.0000
270 L A 0.0000
271 G A 0.0000
272 R A -1.4808
273 I A 0.0000
274 P A 0.0000
275 M A -0.1046
276 V A 0.0138
277 F A 0.0000
278 N A -0.4881
279 V A 0.0000
280 V A 0.0000
281 I A 0.0000
282 L A 0.0000
283 S A 0.0000
284 P A 0.0000
285 H A 0.0000
286 G A 0.0000
287 Y A 0.0420
288 F A 0.0000
289 A A 0.0000
290 Q A -0.9725
291 E A -2.4847
292 N A -2.0050
293 V A 0.0000
294 L A -0.2429
295 G A -0.1325
296 Y A 0.1685
297 P A -0.1098
298 D A -0.4532
299 T A 0.0000
300 G A -0.2860
301 G A -0.3803
302 Q A 0.0000
303 V A 0.0000
304 V A 0.0603
305 Y A 0.0000
306 I A 0.0000
307 L A 0.3291
308 D A 0.0696
309 Q A 0.0000
310 V A 0.0000
311 P A -0.7714
312 A A -1.1093
313 L A 0.0000
314 E A 0.0000
315 R A -2.7938
316 E A 0.0000
317 M A 0.0000
318 L A -1.8024
319 K A -3.1217
320 R A -2.6967
321 I A 0.0000
322 K A -3.3841
323 E A -3.2499
324 Q A 0.0000
325 G A 0.0000
326 L A 0.0000
327 D A -1.6899
328 I A 0.0000
329 I A 1.0807
330 P A 0.0000
331 R A -0.5511
332 I A 0.0000
333 L A 0.0000
334 I A 0.0000
335 V A 0.0000
336 T A 0.0000
337 R A 0.0000
338 L A -0.6880
339 L A 0.0000
340 P A -1.4472
341 D A -1.8683
342 A A -0.5263
343 V A 0.9230
344 G A -0.3168
345 T A -0.8639
346 T A -0.9062
347 C A 0.0000
348 G A -1.3411
349 Q A -1.6619
350 R A -1.4008
351 L A -0.8215
352 E A -0.9443
353 K A -1.3836
354 V A 0.0000
355 F A 1.0155
356 G A -0.3669
357 A A -1.1741
358 E A -2.0384
359 H A -1.3530
360 S A 0.0000
361 H A -0.9666
362 I A 0.0000
363 L A 0.0000
364 R A 0.0000
365 V A 0.0000
366 P A -0.4384
367 F A 0.0000
368 R A -1.5363
369 T A -1.6524
370 E A -2.7855
371 K A -2.4978
372 G A -1.6086
373 I A -0.6034
374 L A 0.0000
375 R A -2.0693
376 K A -1.4810
377 W A -0.5923
378 I A 0.0000
379 S A -0.5056
380 R A -0.3929
381 F A -0.7907
382 E A -0.8009
383 V A 0.0000
384 W A 0.0000
385 P A -1.2841
386 Y A 0.0000
387 I A 0.0000
388 E A -1.7350
389 T A -1.4842
390 F A 0.0000
391 T A 0.0000
392 E A -2.8219
393 D A -2.0267
394 V A 0.0000
395 A A 0.0000
396 K A -2.3625
397 E A -1.5696
398 V A 0.0000
399 T A -1.6276
400 A A -1.2667
401 E A -1.1514
402 L A 0.0000
403 Q A -1.8379
404 A A -1.7595
405 K A -2.0178
406 P A 0.0000
407 D A -0.7587
408 L A 0.0000
409 I A 0.0000
410 I A 0.0000
411 G A 0.0000
412 N A 0.0000
413 Y A 0.0852
414 S A 0.0000
415 E A 0.0000
416 G A 0.0000
417 N A 0.0000
418 L A 0.0000
419 V A 0.0000
420 A A 0.0000
421 S A 0.0000
422 L A -0.9591
423 L A 0.0000
424 A A 0.0000
425 H A -1.3737
426 K A -2.0405
427 L A -1.2727
428 G A -1.1300
429 V A -0.8297
430 T A -0.3197
431 Q A 0.0000
432 C A 0.0000
433 T A 0.0000
434 I A 0.0000
435 A A 0.0000
436 H A -0.2108
437 A A -0.3378
438 L A 0.0000
439 E A 0.0000
440 K A -0.8577
441 T A -1.0169
442 K A -1.7899
443 Y A -0.8664
444 P A -0.9577
445 D A -0.8329
446 S A 0.0000
447 D A -0.6352
448 I A 0.0000
449 Y A -0.4517
450 W A 0.0000
451 K A -2.7141
452 N A -2.4559
453 F A -1.8271
454 E A -2.3413
455 E A -3.1857
456 K A -2.9086
457 Y A -1.5639
458 H A 0.0000
459 F A 0.0000
460 S A 0.0000
461 S A 0.0000
462 Q A 0.0000
463 F A 0.0000
464 T A 0.0000
465 A A 0.0000
466 D A 0.0000
467 L A 0.0000
468 I A 0.0000
469 A A 0.0000
470 M A 0.0000
471 N A 0.0000
472 H A 0.0000
473 T A 0.0000
474 D A -0.3062
475 F A 0.0000
476 I A 0.0000
477 I A 0.0000
478 T A 0.0000
479 S A 0.0839
480 T A 0.0000
481 F A 0.0161
482 Q A -0.1519
483 E A 0.0000
484 I A 0.0000
485 A A 0.0000
486 G A 0.0000
487 S A -1.4842
488 K A -2.6041
489 D A -2.8511
490 T A -1.3189
491 V A -0.4264
492 G A 0.0000
493 Q A -0.3861
494 Y A 0.0000
495 E A 0.0000
496 S A -0.0235
497 H A 0.0000
498 T A -0.1581
499 A A -0.0391
500 F A 0.0000
501 T A 0.0000
502 M A 0.0000
503 P A -0.3621
504 G A -0.4762
505 L A 0.0091
506 Y A 0.0000
507 R A 0.0000
508 V A 0.0000
509 V A 0.0000
510 H A -0.9662
511 G A 0.0000
512 I A 0.0000
513 D A -0.6844
514 V A 0.0000
515 F A 0.0000
516 D A -0.6141
517 P A 0.0000
518 K A 0.0000
519 F A 0.0000
520 N A 0.0000
521 I A 0.2667
522 V A 0.0000
523 S A -0.1199
524 P A 0.0000
525 G A 0.0000
526 A A 0.0000
527 D A -0.3461
528 M A 0.0135
529 G A -0.2959
530 I A 0.2449
531 Y A 0.0000
532 Y A -0.1558
533 S A 0.0000
534 Y A 0.0000
535 T A -1.4540
536 E A -2.3566
537 K A -3.3291
538 E A -3.5729
539 K A -3.1921
540 R A -1.8558
541 L A -0.1441
542 T A -0.5841
543 A A -0.0888
544 L A -0.4502
545 H A -1.3681
546 P A -2.0556
547 E A -2.8474
548 I A 0.0000
549 D A -2.7746
550 E A -2.6732
551 L A 0.0000
552 L A 0.0000
553 F A -1.2764
554 S A -0.9380
555 S A -0.1277
556 V A 0.7187
557 E A -1.2231
558 N A -2.0088
559 E A -3.3339
560 E A -2.1195
561 H A 0.0000
562 L A -0.9009
563 C A 0.0000
564 V A 0.0000
565 L A 0.0000
566 K A -2.8154
567 D A -2.7310
568 K A -2.4748
569 S A -1.6305
570 K A -1.7071
571 P A -1.2701
572 I A 0.0000
573 L A 0.0000
574 F A 0.0000
575 T A 0.0000
576 M A -0.3229
577 A A -0.9385
578 R A -1.9977
579 L A 0.0000
580 D A 0.0000
581 N A -1.1708
582 V A 0.6232
583 K A -0.2153
584 N A -0.3162
585 L A 0.0000
586 T A 0.0000
587 G A -0.3546
588 L A 0.0000
589 V A 0.0000
590 E A -1.0475
591 W A -1.5713
592 Y A 0.0000
593 A A 0.0000
594 K A -2.7990
595 N A -3.2887
596 D A -3.7009
597 R A -3.9234
598 L A 0.0000
599 R A -2.7020
600 E A -3.1758
601 L A 0.0000
602 V A 0.0000
603 N A 0.0000
604 L A 0.0000
605 V A 0.0000
606 V A 0.0000
607 V A 0.0000
608 G A 0.0000
609 G A 0.0000
610 D A -2.3502
611 R A -2.8043
612 R A -3.4176
613 K A -3.8099
614 E A -3.6256
615 S A -2.7157
616 K A -2.5576
617 D A -1.5260
618 L A 0.0002
619 E A -1.4634
620 E A -1.9686
621 Q A -1.8654
622 A A -1.3768
623 Q A 0.0000
624 M A -1.7997
625 K A -3.0662
626 K A -2.9092
627 M A 0.0000
628 H A -2.6758
629 E A -3.5658
630 L A 0.0000
631 I A -2.3656
632 E A -3.3100
633 T A -1.9039
634 Y A -1.8726
635 K A -2.7770
636 L A 0.0000
637 N A -2.3014
638 G A -2.0303
639 Q A -1.9864
640 F A 0.0000
641 R A 0.0000
642 W A 0.0000
643 I A 0.0000
644 S A 0.0000
645 S A -0.7104
646 Q A -0.1399
647 M A 0.4406
648 N A -0.2749
649 R A 0.0234
650 V A 0.9264
651 R A -0.0440
652 N A 0.0000
653 G A 0.0000
654 E A 0.0000
655 L A 0.0000
656 Y A 0.0000
657 R A 0.0000
658 V A -0.7675
659 I A 0.0000
660 A A 0.0000
661 D A -1.8801
662 T A -1.5366
663 R A -1.8743
664 G A 0.0000
665 A A 0.0000
666 F A 0.0000
667 I A 0.0000
668 Q A 0.0000
669 P A 0.0000
670 A A 0.0000
671 F A 1.3278
672 Y A 1.1906
673 E A 0.5079
674 A A 0.0623
675 F A 0.0000
676 G A 0.0000
677 L A 0.2676
678 T A 0.1834
679 V A 0.0000
680 V A 0.0000
681 E A 0.0000
682 A A 0.0000
683 M A 0.0000
684 T A 0.0000
685 C A 0.0000
686 G A 0.0000
687 L A 0.0000
688 P A 0.0000
689 T A 0.0000
690 F A 0.0000
691 A A 0.0000
692 T A 0.0000
693 L A 0.3612
694 H A 0.2547
695 G A 0.0000
696 G A 0.0000
697 P A 0.0000
698 A A -0.1080
699 E A -0.3078
700 I A 0.0000
701 I A 0.0000
702 V A -0.6347
703 H A -1.2607
704 G A -1.4753
705 K A -2.1891
706 S A 0.0000
707 G A 0.0000
708 F A 0.0000
709 H A -0.3141
710 I A 0.0000
711 D A -0.4102
712 P A 0.0000
713 Y A 0.4571
714 H A -1.3816
715 G A -1.9245
716 D A -3.1962
717 Q A -2.7327
718 V A 0.0000
719 T A 0.0000
720 E A -3.0571
721 L A -1.5759
722 L A 0.0000
723 V A -2.5498
724 N A -2.6682
725 F A 0.0000
726 F A 0.0000
727 E A -3.9664
728 K A -4.0947
729 T A -3.5558
730 K A -4.1242
731 Q A -3.7639
732 D A -3.5326
733 P A -2.5582
734 G A -1.6707
735 H A -1.7685
736 W A 0.0000
737 E A -1.3070
738 A A -1.1004
739 I A 0.0000
740 S A 0.0000
741 K A -1.9194
742 G A -1.6455
743 G A 0.0000
744 L A -1.3919
745 Q A -2.5989
746 R A -2.5335
747 I A 0.0000
748 Q A -2.9180
749 E A -3.2565
750 K A -2.8620
751 Y A 0.0000
752 T A 0.0000
753 W A 0.0000
754 Q A -1.7613
755 I A -1.1169
756 Y A 0.0000
757 S A 0.0000
758 D A -1.5135
759 R A -0.8085
760 L A 0.0000
761 L A 0.0000
762 T A 0.0000
763 L A 0.0000
764 A A 0.0000
765 G A 0.0000
766 V A 0.0000
767 Y A 0.0000
768 G A 0.0000
769 F A 0.0000
770 W A -0.3293
771 K A -1.0378
772 H A -0.6724
773 V A -0.2839
774 S A 0.0000
775 K A -1.3265
776 L A 0.0476
777 D A -1.3426
778 R A -1.2910
779 L A -0.7110
780 E A -1.9276
781 I A 0.0000
782 R A -1.8854
783 R A -2.5939
784 Y A -1.4138
785 L A 0.0000
786 E A -2.0762
787 M A -0.5627
788 F A 0.0000
789 Y A -0.7220
790 A A -0.4294
791 L A 0.1533
792 K A -0.6878
793 Y A 0.0000
794 R A -2.2535
795 K A -2.6549
796 L A -1.5641
797 A A 0.0000
798 E A -2.6349
799 S A -1.5440
800 V A 0.0000
801 P A -0.2560
802 L A 0.8950
803 A A 0.6867
804 V A 1.1017
805 D A -0.4909
806 E A -1.7240
807 L A -0.5603
808 E A -2.5872
809 H A -2.6350
810 H A -2.7375
811 H A -2.9703
812 H A -2.6909
813 H A -2.4081
814 H A -1.9031
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Laboratory of Theory of Biopolymers 2018