Project name: 787704427365a22

Status: done

Started: 2026-05-18 06:22:08
Settings
Chain sequence(s) A: MAPSLSKTVQLGSLGLLHDNSPMSITLNGSNFLANGHPFLTEVPPNIMATPSPSLYSKPTDTVVGCFVGLHVDEPRSRHVVPLGKLRDIRFMSIFRFKVWWSTQWVGSNGHEVEHETQMILLDKNDSLGRPYVLLLPILQGSFRASLQPGLDDYVDVCVESGSTRVTASSFESCLYVHVGDDPFRLVREAAKVVRMHLGSFKLLEEKTAPAIIEKFGWCTWDAFYLKVHPSGVWEGVKGLVEGGCPPGMVLIDDGWQSICHDEDPVTDQEGVNRTSAGEQMPCRLVKFEENYKFRDYRSVEGCEKGLGAFVRDLKEGFRSVEQVYVWHALCGYWGGVRPEVPGMPEAKLVTPKLSQGLKMTMEDLAVDKIVNNGVGLVPPHLAHRLYEGLHSRLESAGIDGVKVDVIHLLEMLSEEFGGRVELAKDYYKALTASVKKHFKGNGVIASMEHCNDFFLLGTETIALGRVGDDFWCTDPSGDPNGTYWLQGCHMVHCAYNSLWMGNFIHPDWDMFQSTHPCAEFHAASRAISGGPIYVSDCVGNHNFKLLKSLSLPDGSILRCQHYALPTRDSLFEDPLHDGKTMLKIWNLNKHTGVLGLFNSQGGGWCPVTRRNKSASEFSHAVTCLASPQDIEWSNGKNPMCIKGVDVFAVYLFKDKKVKLMKWSEKLEVSLEPFSFELLTVSPVTLLSKGLIQFAPIGLVNMLNSGGAIQSLEFDDDTDVVKIGVKGYGEMRVFSSEKPISCKLDGVSVKFDYEDRMVRVLVSWPTSSKFSMLEFLF
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:08)
Show buried residues

Minimal score value
-3.7755
Maximal score value
1.8775
Average score
-0.5678
Total score value
-441.1978

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 1.0249
2 A A 0.5421
3 P A 0.2687
4 S A 0.1904
5 L A 0.8340
6 S A -0.1853
7 K A -1.1392
8 T A -0.0358
9 V A 1.0393
10 Q A 0.0282
11 L A 1.3184
12 G A 0.4023
13 S A 0.6058
14 L A 1.8301
15 G A 1.2745
16 L A 1.8775
17 L A 1.1305
18 H A -1.1618
19 D A -2.3476
20 N A -2.3513
21 S A -1.7148
22 P A -1.0738
23 M A -0.7690
24 S A -0.1776
25 I A -0.0475
26 T A -0.3924
27 L A -0.3855
28 N A -1.4877
29 G A -1.3771
30 S A -1.3002
31 N A -1.3085
32 F A 0.0000
33 L A -0.5156
34 A A 0.0000
35 N A -0.6633
36 G A -0.7988
37 H A -0.5162
38 P A -0.7238
39 F A 0.0000
40 L A 0.0000
41 T A -1.0979
42 E A -1.4350
43 V A 0.0000
44 P A -0.6809
45 P A -0.6900
46 N A -0.7741
47 I A 0.0000
48 M A 0.1081
49 A A -0.0407
50 T A -0.2807
51 P A -0.2718
52 S A -0.2847
53 P A -0.1525
54 S A -0.2746
55 L A 0.2202
56 Y A -0.2017
57 S A -0.9364
58 K A -2.0437
59 P A -1.3843
60 T A -1.3623
61 D A -1.4534
62 T A -0.6740
63 V A 0.1345
64 V A 0.2036
65 G A 0.0000
66 C A 0.0000
67 F A 0.0000
68 V A 0.0000
69 G A 0.0000
70 L A 0.0000
71 H A -1.5922
72 V A -1.8804
73 D A -3.0271
74 E A -3.3277
75 P A -2.5395
76 R A -3.0324
77 S A -1.6395
78 R A -1.2195
79 H A 0.0000
80 V A 0.4926
81 V A 0.0000
82 P A 0.0149
83 L A 0.0000
84 G A 0.0000
85 K A 0.0000
86 L A 0.0000
87 R A -2.4897
88 D A -2.6327
89 I A 0.0000
90 R A -1.8769
91 F A 0.0000
92 M A 0.0000
93 S A 0.0000
94 I A 0.0000
95 F A 0.0000
96 R A 0.0000
97 F A 0.0000
98 K A 0.0000
99 V A 0.0000
100 W A 0.0000
101 W A 0.0000
102 S A 0.0000
103 T A 0.0000
104 Q A 0.0000
105 W A 0.0808
106 V A -0.1846
107 G A -1.0538
108 S A -1.7788
109 N A -2.0583
110 G A 0.0000
111 H A -1.6326
112 E A -1.2192
113 V A 0.0000
114 E A -0.5341
115 H A -0.6312
116 E A 0.0000
117 T A 0.0000
118 Q A 0.0000
119 M A 0.0000
120 I A 0.0000
121 L A 0.0000
122 L A 0.0000
123 D A -1.3207
124 K A -1.7442
125 N A -1.6036
126 D A -2.1073
127 S A -0.6271
128 L A 0.3467
129 G A -1.2956
130 R A 0.0000
131 P A 0.0000
132 Y A 0.0000
133 V A 0.0000
134 L A 0.0000
135 L A 0.0000
136 L A 0.0000
137 P A 0.0000
138 I A 0.0000
139 L A 0.0000
140 Q A -0.7155
141 G A -0.6549
142 S A -0.5913
143 F A 0.0000
144 R A 0.0000
145 A A 0.0000
146 S A 0.0000
147 L A 0.0000
148 Q A 0.0000
149 P A -0.6709
150 G A -0.1258
151 L A 0.3675
152 D A -1.4656
153 D A -1.5555
154 Y A -0.7238
155 V A 0.0000
156 D A 0.0441
157 V A 0.0000
158 C A 0.0000
159 V A 0.0000
160 E A 0.0000
161 S A 0.0000
162 G A -1.0672
163 S A 0.0000
164 T A -1.6332
165 R A -2.3249
166 V A -1.3424
167 T A -1.6313
168 A A -1.3849
169 S A -1.8263
170 S A -1.3027
171 F A 0.0000
172 E A -1.6192
173 S A 0.0000
174 C A 0.0000
175 L A 0.0000
176 Y A 0.0000
177 V A 0.0000
178 H A 0.0000
179 V A 0.0000
180 G A -1.3230
181 D A -2.5980
182 D A -1.8763
183 P A 0.0000
184 F A 0.0000
185 R A -2.4047
186 L A 0.0000
187 V A 0.0000
188 R A -1.1858
189 E A 0.0000
190 A A 0.0000
191 A A 0.0000
192 K A -0.4366
193 V A 0.0000
194 V A 0.0000
195 R A -0.5158
196 M A 0.3009
197 H A -0.3007
198 L A -0.1455
199 G A -0.5108
200 S A -0.7650
201 F A 0.0000
202 K A -1.6300
203 L A 0.0000
204 L A 0.0000
205 E A -2.6648
206 E A -2.1765
207 K A -1.4982
208 T A -0.6993
209 A A -0.4951
210 P A 0.0000
211 A A -0.4649
212 I A 0.0000
213 I A 0.0000
214 E A -0.8949
215 K A -0.9063
216 F A 0.0000
217 G A 0.0000
218 W A 0.0000
219 C A 0.0000
220 T A 0.0000
221 W A 0.3836
222 D A 0.0000
223 A A 0.2880
224 F A 0.1558
225 Y A 0.3539
226 L A 0.0000
227 K A -1.4757
228 V A 0.0000
229 H A -0.8208
230 P A 0.0000
231 S A -0.5357
232 G A 0.0000
233 V A 0.0000
234 W A -0.5709
235 E A -1.1986
236 G A 0.0000
237 V A 0.0000
238 K A -1.3450
239 G A -1.2931
240 L A 0.0000
241 V A -1.0048
242 E A -1.8094
243 G A -1.2412
244 G A -1.0635
245 C A 0.0000
246 P A 0.0000
247 P A 0.0000
248 G A 0.0000
249 M A 0.0000
250 V A 0.0000
251 L A 0.0000
252 I A 0.0000
253 D A 0.0000
254 D A 0.0000
255 G A 0.0000
256 W A 0.0000
257 Q A 0.0000
258 S A 0.0000
259 I A 0.0000
260 C A 0.0000
261 H A -1.6421
262 D A -1.9716
263 E A -2.4300
264 D A -1.6670
265 P A -0.9471
266 V A -0.2598
267 T A -0.9471
268 D A -2.1738
269 Q A -1.8043
270 E A 0.0000
271 G A -0.9185
272 V A -0.3748
273 N A -1.4419
274 R A -1.4219
275 T A -0.9857
276 S A -0.8742
277 A A -0.2402
278 G A 0.0000
279 E A -1.4551
280 Q A 0.0000
281 M A -0.3836
282 P A -0.8507
283 C A 0.0000
284 R A 0.0000
285 L A 0.0000
286 V A 0.0000
287 K A -0.5838
288 F A -0.7263
289 E A -1.2101
290 E A 0.0000
291 N A 0.0000
292 Y A -1.2544
293 K A -1.0855
294 F A 0.0000
295 R A -2.0229
296 D A -2.5894
297 Y A -2.1815
298 R A -2.9507
299 S A -1.6642
300 V A 0.0803
301 E A -1.5417
302 G A -1.4525
303 C A -0.9920
304 E A -2.4659
305 K A -2.9452
306 G A 0.0000
307 L A 0.0000
308 G A -1.3434
309 A A 0.0000
310 F A 0.0000
311 V A 0.0000
312 R A -1.4710
313 D A -1.4864
314 L A 0.0000
315 K A -2.6065
316 E A -3.1290
317 G A -2.1059
318 F A 0.0000
319 R A -2.9861
320 S A -1.9547
321 V A 0.0000
322 E A -2.3191
323 Q A -1.1050
324 V A 0.0000
325 Y A 0.0000
326 V A 0.0000
327 W A 0.0000
328 H A 0.0000
329 A A 0.0000
330 L A 0.0000
331 C A 0.0000
332 G A 0.0000
333 Y A 0.0000
334 W A 0.0000
335 G A 0.0000
336 G A 0.0000
337 V A 0.0000
338 R A -1.0758
339 P A -1.6913
340 E A -2.5092
341 V A -1.1747
342 P A -1.1145
343 G A -0.9896
344 M A -1.2694
345 P A -1.8582
346 E A -2.8188
347 A A -1.6324
348 K A -1.4073
349 L A 0.6306
350 V A 0.0249
351 T A -0.4407
352 P A 0.0000
353 K A -1.7535
354 L A -0.9845
355 S A -1.2413
356 Q A -1.8095
357 G A 0.0000
358 L A 0.0000
359 K A -1.9782
360 M A -1.0886
361 T A 0.0000
362 M A -1.5626
363 E A -2.1011
364 D A -0.5701
365 L A 0.6631
366 A A 0.0000
367 V A 0.0000
368 D A -1.1217
369 K A -1.0926
370 I A 0.0000
371 V A -0.8386
372 N A -1.6906
373 N A -1.1442
374 G A 0.0000
375 V A 0.0000
376 G A 0.0000
377 L A 0.0000
378 V A 0.0000
379 P A -1.2360
380 P A -1.3842
381 H A -1.5296
382 L A -1.6513
383 A A 0.0000
384 H A -2.5227
385 R A -2.8509
386 L A 0.0000
387 Y A 0.0000
388 E A -2.0092
389 G A -1.4340
390 L A 0.0000
391 H A 0.0000
392 S A -1.2655
393 R A -1.3986
394 L A 0.0000
395 E A -1.8157
396 S A -1.0773
397 A A 0.0000
398 G A -1.1113
399 I A 0.0000
400 D A -1.2280
401 G A 0.0000
402 V A 0.0000
403 K A 0.0000
404 V A 0.0000
405 D A 0.0000
406 V A 0.0000
407 I A 0.0000
408 H A 0.0000
409 L A 0.0000
410 L A 0.0000
411 E A 0.0000
412 M A 0.0000
413 L A 0.0000
414 S A 0.0000
415 E A -1.5496
416 E A -1.6917
417 F A -1.0698
418 G A -1.0015
419 G A 0.0000
420 R A 0.0000
421 V A 0.0000
422 E A -1.1609
423 L A 0.0000
424 A A 0.0000
425 K A -1.8972
426 D A -2.3333
427 Y A 0.0000
428 Y A 0.0000
429 K A -2.4494
430 A A 0.0000
431 L A 0.0000
432 T A 0.0000
433 A A -1.5593
434 S A 0.0000
435 V A 0.0000
436 K A -2.8290
437 K A -3.0244
438 H A 0.0000
439 F A 0.0000
440 K A -2.7153
441 G A -2.1512
442 N A -1.1762
443 G A 0.0000
444 V A 0.0000
445 I A 0.0000
446 A A 0.0000
447 S A 0.0000
448 M A 0.0000
449 E A 0.0000
450 H A 0.0000
451 C A 0.0000
452 N A 0.0000
453 D A 0.0000
454 F A 0.0000
455 F A 0.0000
456 L A 0.0000
457 L A 0.0000
458 G A 0.0000
459 T A 0.0000
460 E A -1.3714
461 T A -1.1269
462 I A 0.0000
463 A A 0.0000
464 L A 0.0000
465 G A 0.0000
466 R A 0.0000
467 V A 0.0000
468 G A 0.0000
469 D A 0.0000
470 D A -0.4133
471 F A 0.0000
472 W A 0.2627
473 C A 0.2053
474 T A -0.3643
475 D A -0.8996
476 P A -0.4700
477 S A -0.9122
478 G A -1.1922
479 D A -1.4673
480 P A -1.2206
481 N A -1.5738
482 G A 0.0000
483 T A -0.2956
484 Y A 0.2924
485 W A 0.0000
486 L A 0.0000
487 Q A 0.0000
488 G A 0.0000
489 C A 0.0000
490 H A 0.0000
491 M A 0.0000
492 V A 0.0000
493 H A 0.0000
494 C A 0.0000
495 A A 0.0000
496 Y A 0.0000
497 N A 0.0000
498 S A 0.0000
499 L A 0.0000
500 W A 0.0000
501 M A 0.0000
502 G A 0.0000
503 N A 0.0000
504 F A 0.0000
505 I A 0.0000
506 H A 0.0000
507 P A 0.0000
508 D A 0.0000
509 W A 0.0000
510 D A 0.0000
511 M A 0.0000
512 F A 0.0000
513 Q A -0.4943
514 S A 0.0000
515 T A -0.6965
516 H A 0.0000
517 P A -0.4082
518 C A 0.0000
519 A A 0.0000
520 E A -1.9110
521 F A 0.0000
522 H A 0.0000
523 A A 0.0000
524 A A 0.0000
525 S A 0.0000
526 R A 0.0000
527 A A 0.0000
528 I A 0.0000
529 S A 0.0000
530 G A 0.0000
531 G A 0.0000
532 P A 0.0000
533 I A 0.0000
534 Y A 0.0000
535 V A 0.0000
536 S A 0.0000
537 D A 0.0000
538 C A 0.2276
539 V A 0.0250
540 G A -0.9442
541 N A -1.1597
542 H A -0.9639
543 N A -1.4485
544 F A -0.9796
545 K A -1.9567
546 L A 0.0000
547 L A 0.0000
548 K A -1.4247
549 S A -1.0257
550 L A 0.0000
551 S A 0.0000
552 L A 0.0000
553 P A -0.5666
554 D A -1.2835
555 G A 0.0000
556 S A 0.0000
557 I A 0.0000
558 L A 0.0000
559 R A -0.6471
560 C A 0.0000
561 Q A -1.3196
562 H A -0.9791
563 Y A -0.0532
564 A A 0.0000
565 L A 0.0000
566 P A 0.0000
567 T A 0.0000
568 R A -1.8584
569 D A -2.1868
570 S A 0.0000
571 L A 0.0000
572 F A 0.0000
573 E A -1.4637
574 D A -0.9140
575 P A 0.0000
576 L A 0.0000
577 H A -0.9605
578 D A -1.4068
579 G A -1.4535
580 K A -2.0178
581 T A -1.4003
582 M A 0.0000
583 L A 0.0000
584 K A 0.0000
585 I A 0.0000
586 W A 0.0000
587 N A 0.0000
588 L A 0.0000
589 N A 0.0000
590 K A -1.5181
591 H A -0.6177
592 T A 0.0000
593 G A 0.0000
594 V A 0.0000
595 L A 0.0000
596 G A 0.0000
597 L A 0.0000
598 F A 0.0000
599 N A 0.0000
600 S A 0.0000
601 Q A 0.0000
602 G A 0.0000
603 G A 0.0000
604 G A 0.0000
605 W A 0.0000
606 C A -0.3189
607 P A 0.1272
608 V A 1.2928
609 T A -0.0689
610 R A -1.1059
611 R A -1.7549
612 N A -1.3037
613 K A -1.7689
614 S A -1.2288
615 A A 0.0000
616 S A -1.3758
617 E A -1.8848
618 F A -1.0811
619 S A -1.1819
620 H A -1.5505
621 A A -1.3163
622 V A 0.0000
623 T A -0.8175
624 C A -0.4202
625 L A -0.4833
626 A A 0.0000
627 S A 0.0000
628 P A 0.0000
629 Q A -1.8080
630 D A -1.2430
631 I A 0.0000
632 E A 0.0000
633 W A 0.0000
634 S A -0.6919
635 N A 0.0000
636 G A -1.9078
637 K A -2.8354
638 N A -2.4381
639 P A -1.3447
640 M A -0.5450
641 C A 0.1334
642 I A -0.3660
643 K A -1.6908
644 G A -1.4008
645 V A -0.9907
646 D A -2.2224
647 V A -1.0290
648 F A 0.0000
649 A A 0.0000
650 V A 0.0000
651 Y A 0.0000
652 L A 0.0000
653 F A -1.5850
654 K A -2.4200
655 D A -3.4614
656 K A -3.4607
657 K A -3.4589
658 V A -1.8710
659 K A -1.0299
660 L A -0.2091
661 M A 0.0000
662 K A -2.6741
663 W A -1.6521
664 S A -2.0048
665 E A -2.4772
666 K A -2.7478
667 L A 0.0000
668 E A -1.7760
669 V A -0.7235
670 S A -0.7880
671 L A 0.0000
672 E A -2.0108
673 P A -0.8422
674 F A -0.4061
675 S A -0.8132
676 F A 0.0000
677 E A 0.0000
678 L A 0.0000
679 L A 0.0000
680 T A 0.0000
681 V A 0.0000
682 S A 0.0000
683 P A -0.0198
684 V A 0.0000
685 T A 0.5199
686 L A 1.2473
687 L A 0.0000
688 S A -1.1174
689 K A -1.6800
690 G A 0.1145
691 L A 0.9386
692 I A 0.0000
693 Q A 0.0651
694 F A 0.0000
695 A A 0.0000
696 P A 0.0000
697 I A 0.0000
698 G A 0.0000
699 L A 0.0000
700 V A -0.5504
701 N A -0.8001
702 M A 0.0000
703 L A 0.0000
704 N A 0.0000
705 S A 0.0000
706 G A 0.0000
707 G A 0.0000
708 A A 0.0000
709 I A 0.0000
710 Q A -0.5737
711 S A -0.6913
712 L A -0.8610
713 E A -1.9833
714 F A -1.3491
715 D A -2.5389
716 D A -3.3934
717 D A -3.1654
718 T A -1.6990
719 D A -1.6972
720 V A -1.0601
721 V A 0.0000
722 K A -1.1778
723 I A 0.0000
724 G A 0.0000
725 V A 0.0000
726 K A -0.2551
727 G A 0.0000
728 Y A 0.5675
729 G A 0.2817
730 E A -0.0801
731 M A 0.0000
732 R A 0.0000
733 V A 0.0000
734 F A 0.0000
735 S A 0.0000
736 S A -1.7670
737 E A -2.5008
738 K A -2.6103
739 P A 0.0000
740 I A 1.6287
741 S A 0.5623
742 C A 0.0000
743 K A -0.9194
744 L A 0.0000
745 D A -1.5503
746 G A -0.7211
747 V A 0.7443
748 S A -0.1986
749 V A -0.2518
750 K A -1.6991
751 F A -1.3660
752 D A -2.4316
753 Y A -2.7849
754 E A -3.5564
755 D A -3.4637
756 R A -3.7755
757 M A 0.0000
758 V A 0.0000
759 R A -1.3649
760 V A 0.0000
761 L A 0.9621
762 V A 0.0000
763 S A 0.3027
764 W A 0.2845
765 P A -0.3748
766 T A -0.3060
767 S A -0.5413
768 S A -1.0328
769 K A -1.4931
770 F A -0.3570
771 S A 0.0000
772 M A -0.6852
773 L A 0.0000
774 E A -0.8671
775 F A 0.0000
776 L A 0.7073
777 F A 0.4052
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Laboratory of Theory of Biopolymers 2018