Project name: 860162cc9d7664b

Status: done

Started: 2026-05-18 06:20:57
Settings
Chain sequence(s) A: IFIEDSCLSVNGNVLLTGVPENVAISPAPYGSAFLGATSPTPGSRHVFSLGTLQGFNFLSLFRFKIWWMTPKIGTSGSDIRVETQLLLIEAKEEYVLLNEAAEQSPDGTFYILVLPVLEGDFRASLQGSKANELQFCVESGDPDVQTTQVSESIFINSGDNPYELMKNSVKILAAHKGTFRHLDDKELPVHLDWFGWCTWDAFYKDVKPEGIRQGFESLSKGGYTPRFLVLDEGWQDTFNEYEQDEAKTKDIDFGFETRLRDFKENDKFRNFRSDEYTTLPEFIKFLKQKYGLKYVYVWHAILGCWGGVLPSSETFEKYSPQLVHPVQSPGNLGNLRDIAMDGIEKYGMGVIDPEKIGDFYNDYHSYLASIGVDGVKVDIQNVLETIGTEFGGRVCMTAKYQKGLEEAVAKNFVQNNLICSMSHDSDLLSSSRKSAVIRTYEDFMPRELYPQTVHVAAVSFNSLFLGEIAVADWDMFQSLHYAADFHTASRAVGGCSVYVSDKPGNHDFDILKRLVLPDGSIMRARYAGRPTRDCLFKDPVMDGKTLMKIWNLNKLSGIIGVFNCQGVGIWPWLDELQNTSTPEVMSGEVSPNDVEFLKDIAGDKWLGDCAVYAFYSGSLNKIPKTGRLEVFLKALKCELFTICPIRVINEEVHVAPIGLLDMYNSGGAIETLSSIAGLEGCIVRMKVRGCGRFGAYSSKKPRYCMVDTNKAEFSYNSEDGLLTIILEGDCKSKDIEFVY
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
-3.6333
Maximal score value
1.7913
Average score
-0.5738
Total score value
-424.6152

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
3 I A 0.8050
4 F A 1.6001
5 I A 0.3159
6 E A -1.8255
7 D A -2.6634
8 S A -1.8412
9 C A -0.6008
10 L A 0.0000
11 S A 0.2052
12 V A 0.0000
13 N A -0.5011
14 G A -0.6485
15 N A -0.7728
16 V A 0.5206
17 L A 0.0000
18 L A 0.0000
19 T A -0.6331
20 G A -1.0280
21 V A 0.0000
22 P A -1.3579
23 E A -2.3816
24 N A -1.5107
25 V A 0.0000
26 A A -0.2078
27 I A 1.0436
28 S A 0.4378
29 P A 0.4020
30 A A 0.0587
31 P A -0.1097
32 Y A 0.2135
33 G A -0.2959
34 S A 0.0000
35 A A 0.0000
36 F A 0.0000
37 L A 0.0000
38 G A 0.0000
39 A A 0.0000
40 T A -0.9027
41 S A 0.0000
42 P A -0.5887
43 T A -0.6752
44 P A -1.2627
45 G A -1.3235
46 S A -1.5919
47 R A -1.1236
48 H A -0.1369
49 V A 1.1157
50 F A 0.7774
51 S A 0.0570
52 L A 0.0000
53 G A 0.0000
54 T A -0.7390
55 L A 0.0000
56 Q A -1.5340
57 G A -1.0015
58 F A -0.7516
59 N A -0.7656
60 F A 0.0000
61 L A 0.0000
62 S A 0.0000
63 L A 0.0000
64 F A 0.0000
65 R A 0.0000
66 F A 0.0000
67 K A -0.7698
68 I A 0.0000
69 W A 0.0000
70 W A 0.0000
71 M A 0.0000
72 T A 0.0000
73 P A 0.0116
74 K A -0.2026
75 I A -0.2652
76 G A -0.5821
77 T A -0.7103
78 S A -1.2280
79 G A 0.0000
80 S A -1.5058
81 D A -1.0527
82 I A 0.0000
83 R A -0.2264
84 V A 0.0390
85 E A 0.0000
86 T A 0.0000
87 Q A 0.0000
88 L A 0.1517
89 L A 0.0000
90 L A 0.0000
91 I A 0.0000
92 E A -0.9894
93 A A 0.0000
94 K A -2.9043
95 E A -3.0606
96 E A -1.8246
97 Y A 0.9158
98 V A 1.7913
99 L A 0.2411
100 L A 1.0139
101 N A -1.3082
102 E A -2.3134
103 A A -1.3356
104 A A -0.9514
105 E A -1.3305
106 Q A -1.7003
107 S A -1.4657
108 P A -1.1775
109 D A -1.3849
110 G A 0.0000
111 T A -1.3675
112 F A 0.0000
113 Y A 0.0000
114 I A 0.0000
115 L A 0.0000
116 V A 0.0000
117 L A 0.0000
118 P A 0.0000
119 V A 0.0000
120 L A 0.0000
121 E A -0.8816
122 G A -1.0256
123 D A -1.1521
124 F A 0.0000
125 R A 0.0000
126 A A 0.0000
127 S A 0.0000
128 L A 0.0000
129 Q A -0.1748
130 G A -0.9662
131 S A -1.3185
132 K A -2.0242
133 A A -1.2020
134 N A -1.5117
135 E A -1.2684
136 L A 0.0000
137 Q A 0.0399
138 F A 0.0000
139 C A 0.3673
140 V A 0.0000
141 E A 0.0000
142 S A 0.0000
143 G A 0.0000
144 D A 0.0000
145 P A -1.7300
146 D A -2.4118
147 V A -1.7321
148 Q A -2.1078
149 T A -1.4716
150 T A -1.1370
151 Q A -1.4447
152 V A -0.6631
153 S A -0.4123
154 E A -0.6333
155 S A 0.0000
156 I A 0.0000
157 F A 0.0000
158 I A 0.0000
159 N A 0.0000
160 S A -0.6886
161 G A -1.1720
162 D A -1.2827
163 N A -1.4908
164 P A 0.0000
165 Y A 0.0000
166 E A -2.4857
167 L A 0.0000
168 M A 0.0000
169 K A -2.1759
170 N A -2.1808
171 S A 0.0000
172 V A 0.0000
173 K A -2.3954
174 I A -0.9780
175 L A 0.0000
176 A A -1.4808
177 A A -1.0141
178 H A -1.0374
179 K A -1.2017
180 G A -1.1382
181 T A -0.9163
182 F A 0.0000
183 R A -3.3221
184 H A -2.6910
185 L A -2.1968
186 D A -3.0533
187 D A -3.6333
188 K A -3.1064
189 E A -2.6388
190 L A -1.1694
191 P A 0.0000
192 V A -0.0126
193 H A 0.0000
194 L A 0.0000
195 D A -0.7330
196 W A -0.5290
197 F A 0.0000
198 G A 0.0000
199 W A 0.0000
200 C A 0.0000
201 T A 0.0000
202 W A 0.0348
203 D A 0.0000
204 A A 0.0000
205 F A -0.4977
206 Y A -0.1778
207 K A -1.3630
208 D A -2.2031
209 V A 0.0000
210 K A -2.6603
211 P A 0.0000
212 E A -1.7959
213 G A 0.0000
214 I A 0.0000
215 R A -1.8258
216 Q A -2.4912
217 G A 0.0000
218 F A 0.0000
219 E A -2.6812
220 S A -2.1767
221 L A 0.0000
222 S A -1.7216
223 K A -2.2950
224 G A -1.5219
225 G A -1.0304
226 Y A -0.7201
227 T A -0.9236
228 P A 0.0000
229 R A -0.8772
230 F A 0.0000
231 L A 0.0000
232 V A 0.0000
233 L A 0.0000
234 D A 0.0000
235 E A 0.0000
236 G A 0.0000
237 W A 0.0000
238 Q A 0.0000
239 D A -0.9695
240 T A -0.1139
241 F A 0.8102
242 N A 0.0076
243 E A -0.2429
244 Y A -0.1959
245 E A -1.9662
246 Q A -2.0041
247 D A -2.7716
248 E A -2.3272
249 A A -2.0296
250 K A -2.6102
251 T A -2.3728
252 K A -2.7151
253 D A -2.1738
254 I A 0.0502
255 D A -1.2743
256 F A -1.2318
257 G A -0.9376
258 F A -0.2880
259 E A -0.0097
260 T A 0.1668
261 R A 0.0000
262 L A 0.0000
263 R A -1.0065
264 D A -1.0361
265 F A -0.4544
266 K A -1.0311
267 E A 0.0000
268 N A -1.7337
269 D A -2.3245
270 K A -1.8663
271 F A 0.0000
272 R A -1.2777
273 N A -0.7580
274 F A -0.2361
275 R A -1.3718
276 S A -0.9412
277 D A -1.0006
278 E A -1.1785
279 Y A 0.6453
280 T A 0.0823
281 T A -0.4500
282 L A 0.0000
283 P A -0.6237
284 E A -0.8702
285 F A 0.0000
286 I A 0.0000
287 K A -2.3162
288 F A -1.4319
289 L A 0.0000
290 K A -2.1652
291 Q A -2.6832
292 K A -2.6385
293 Y A -1.7730
294 G A -1.5114
295 L A 0.0000
296 K A -1.5174
297 Y A -0.5985
298 V A 0.0000
299 Y A 0.0000
300 V A 0.0000
301 W A 0.0000
302 H A 0.0000
303 A A 0.0000
304 I A 0.0000
305 L A 0.0000
306 G A 0.0000
307 C A 0.0000
308 W A 0.2496
309 G A 0.0000
310 G A 0.0000
311 V A 0.0000
312 L A 0.0245
313 P A -0.5279
314 S A -0.7362
315 S A -0.9403
316 E A -1.8586
317 T A -1.3685
318 F A -0.5439
319 E A 0.0000
320 K A -1.2273
321 Y A -0.3902
322 S A -0.7185
323 P A -1.0609
324 Q A -1.7460
325 L A -1.2206
326 V A 0.0000
327 H A -0.7275
328 P A 0.0000
329 V A 0.0304
330 Q A -0.1496
331 S A 0.0000
332 P A -0.4034
333 G A 0.0000
334 N A 0.0000
335 L A -0.9639
336 G A -1.0918
337 N A 0.0000
338 L A -1.7182
339 R A -2.8558
340 D A -2.5085
341 I A 0.0000
342 A A -0.9602
343 M A -0.7510
344 D A -1.4724
345 G A -0.7732
346 I A 0.0000
347 E A -1.1065
348 K A -1.5544
349 Y A -0.5380
350 G A 0.0000
351 M A 0.0000
352 G A 0.0000
353 V A 0.0000
354 I A 0.0000
355 D A -0.9009
356 P A -1.3009
357 E A -2.2546
358 K A -1.8823
359 I A 0.0000
360 G A -2.3034
361 D A -2.5145
362 F A 0.0000
363 Y A 0.0000
364 N A -2.2268
365 D A -1.9684
366 Y A 0.0000
367 H A 0.0000
368 S A -1.1068
369 Y A -0.3872
370 L A 0.0000
371 A A -0.3692
372 S A -0.1815
373 I A -0.2731
374 G A -0.5385
375 V A 0.0000
376 D A -0.2989
377 G A 0.0000
378 V A 0.0000
379 K A 0.0000
380 V A 0.0000
381 D A 0.0000
382 I A 0.0000
383 Q A 0.0000
384 N A 0.0000
385 V A 0.0000
386 L A 0.0000
387 E A 0.0000
388 T A 0.0000
389 I A 0.0000
390 G A 0.0000
391 T A -1.3195
392 E A -2.1640
393 F A -0.7367
394 G A -0.7606
395 G A 0.0000
396 R A 0.0000
397 V A 0.0000
398 C A -0.3263
399 M A 0.0000
400 T A 0.0000
401 A A -0.8895
402 K A -1.5975
403 Y A 0.0000
404 Q A 0.0000
405 K A -2.7452
406 G A 0.0000
407 L A 0.0000
408 E A 0.0000
409 E A -3.0119
410 A A 0.0000
411 V A 0.0000
412 A A -1.2065
413 K A -1.9130
414 N A -1.0897
415 F A 0.0000
416 V A 0.9089
417 Q A -0.1921
418 N A -0.6689
419 N A 0.0000
420 L A 0.0000
421 I A 0.0000
422 C A 0.0000
423 S A 0.0000
424 M A 0.0000
425 S A 0.0000
426 H A 0.0000
427 D A 0.0000
428 S A 0.0000
429 D A 0.0000
430 L A 0.0000
431 L A 0.0000
432 S A -0.4835
433 S A 0.0000
434 S A 0.0000
435 R A -2.4832
436 K A -3.1104
437 S A 0.0000
438 A A 0.0000
439 V A 0.0000
440 I A 0.0000
441 R A 0.0000
442 T A 0.0000
443 Y A 0.0000
444 E A -0.3893
445 D A -0.4322
446 F A 0.0000
447 M A -0.3523
448 P A -0.5571
449 R A -1.8360
450 E A -0.8781
451 L A 1.1571
452 Y A 1.1649
453 P A 0.0000
454 Q A 0.0000
455 T A 0.0000
456 V A 0.0000
457 H A 0.0000
458 V A 0.0000
459 A A 0.0000
460 A A 0.0000
461 V A 0.0000
462 S A 0.0000
463 F A 0.0000
464 N A 0.0000
465 S A 0.0000
466 L A 0.0000
467 F A 0.0000
468 L A 0.0000
469 G A 0.0000
470 E A 0.0000
471 I A 0.0000
472 A A 0.0000
473 V A 0.0000
474 A A 0.0000
475 D A 0.0000
476 W A 0.0000
477 D A 0.0000
478 M A 0.0000
479 F A 0.0000
480 Q A 0.0484
481 S A 0.0000
482 L A 1.0999
483 H A 0.6355
484 Y A 1.5914
485 A A 0.0000
486 A A 0.0000
487 D A -0.4030
488 F A 0.0000
489 H A 0.0000
490 T A 0.0000
491 A A 0.0000
492 S A 0.0000
493 R A 0.0000
494 A A 0.0000
495 V A 0.0000
496 G A 0.0000
497 G A 0.0000
498 C A 0.0000
499 S A 0.0000
500 V A 0.0000
501 Y A 0.0000
502 V A 0.0000
503 S A 0.0000
504 D A 0.0000
505 K A -1.5824
506 P A -1.7092
507 G A -1.6828
508 N A -1.1081
509 H A -0.6953
510 D A -0.5538
511 F A -0.5887
512 D A -1.9230
513 I A -0.9261
514 L A 0.0000
515 K A -1.5678
516 R A -1.2246
517 L A 0.0000
518 V A 0.0000
519 L A 0.0000
520 P A -0.9546
521 D A -1.4069
522 G A 0.0000
523 S A -0.7885
524 I A 0.0000
525 M A 0.0000
526 R A -0.7275
527 A A 0.0000
528 R A -1.0197
529 Y A -0.2950
530 A A 0.0000
531 G A 0.0000
532 R A 0.0000
533 P A 0.0000
534 T A 0.0000
535 R A -0.8972
536 D A -1.2223
537 C A 0.0000
538 L A 0.0000
539 F A -0.5837
540 K A -1.3882
541 D A 0.0000
542 P A 0.0000
543 V A 0.0000
544 M A -0.3739
545 D A -1.2490
546 G A -1.4938
547 K A -1.9684
548 T A -1.4159
549 L A 0.0000
550 M A 0.0000
551 K A 0.0000
552 I A 0.0000
553 W A 0.0000
554 N A 0.0000
555 L A 0.0000
556 N A 0.0000
557 K A -2.0802
558 L A -1.1192
559 S A 0.0000
560 G A 0.0000
561 I A 0.0000
562 I A 0.0000
563 G A 0.0000
564 V A 0.0000
565 F A 0.0000
566 N A 0.0000
567 C A 0.0000
568 Q A 0.0000
569 G A -0.2895
570 V A 0.9790
571 G A 0.8516
572 I A 0.7990
573 W A 0.4486
574 P A 0.1088
575 W A 1.0399
576 L A 0.7356
577 D A -1.6394
578 E A -1.7171
579 L A 0.0619
580 Q A -1.3623
581 N A -1.2762
582 T A -0.7583
583 S A -0.8834
584 T A -0.7609
585 P A -1.0609
586 E A -1.5773
587 V A -0.0537
588 M A 0.0000
589 S A -0.1053
590 G A -0.9476
591 E A -1.6032
592 V A 0.0000
593 S A 0.0000
594 P A 0.0000
595 N A -1.0579
596 D A 0.0000
597 V A 0.0000
598 E A -0.6645
599 F A -0.5514
600 L A 0.0000
601 K A -1.7108
602 D A -1.9753
603 I A 0.0000
604 A A -1.3159
605 G A -1.4464
606 D A -2.0470
607 K A -1.3247
608 W A 0.1074
609 L A 0.4522
610 G A 0.0000
611 D A -0.3755
612 C A 0.0000
613 A A 0.0000
614 V A 0.0000
615 Y A 0.0000
616 A A 0.0000
617 F A 0.4495
618 Y A 1.0788
619 S A 0.2803
620 G A -0.0435
621 S A -0.2338
622 L A 0.0000
623 N A -1.0671
624 K A -1.2420
625 I A 0.0000
626 P A -1.1252
627 K A -1.3611
628 T A -1.3133
629 G A -1.5653
630 R A -2.5131
631 L A -1.4952
632 E A -1.6195
633 V A 0.0000
634 F A 1.2774
635 L A 0.0000
636 K A -0.8790
637 A A -0.8423
638 L A -0.6330
639 K A -1.2241
640 C A -0.4390
641 E A 0.0390
642 L A 0.0000
643 F A 0.0000
644 T A 0.0000
645 I A 0.0000
646 C A 0.0000
647 P A 0.0000
648 I A 0.0000
649 R A 0.0000
650 V A -0.6092
651 I A -0.7198
652 N A -2.0363
653 E A -2.9936
654 E A -2.9845
655 V A 0.0000
656 H A -1.0072
657 V A 0.0000
658 A A 0.0000
659 P A 0.0000
660 I A 0.0000
661 G A 0.0000
662 L A 0.0000
663 L A 0.0000
664 D A -1.0863
665 M A 0.0000
666 Y A 0.0000
667 N A 0.0000
668 S A 0.0000
669 G A 0.0000
670 G A -0.9337
671 A A 0.0000
672 I A 0.0000
673 E A -1.4207
674 T A -1.3708
675 L A -0.8638
676 S A -0.8107
677 S A -0.2119
678 I A 0.4538
679 A A 0.0995
680 G A -0.3176
681 L A -0.0553
682 E A -1.5413
683 G A -1.2259
684 C A 0.0000
685 I A 0.0000
686 V A 0.0000
687 R A -2.1804
688 M A 0.0000
689 K A -2.2041
690 V A 0.0000
691 R A -2.4735
692 G A -1.9900
693 C A -1.3349
694 G A -0.6286
695 R A -0.4272
696 F A 0.0000
697 G A 0.0000
698 A A 0.0000
699 Y A 0.0000
700 S A 0.0000
701 S A -1.6268
702 K A -2.3886
703 K A -2.4363
704 P A 0.0000
705 R A -1.8875
706 Y A -0.7641
707 C A 0.0000
708 M A -1.6474
709 V A -1.5382
710 D A -2.1778
711 T A -1.7873
712 N A -2.4439
713 K A -2.5766
714 A A -1.4990
715 E A -1.4935
716 F A -0.2973
717 S A -0.4345
718 Y A -1.0781
719 N A -1.9901
720 S A -2.1586
721 E A -2.5629
722 D A -2.0285
723 G A 0.0000
724 L A 0.0000
725 L A 0.0000
726 T A 0.0824
727 I A 0.4829
728 I A 1.0217
729 L A 0.0000
730 E A -1.7893
731 G A -2.2955
732 D A -2.6848
733 C A -2.3313
734 K A -2.6230
735 S A -2.3430
736 K A 0.0000
737 D A -2.3614
738 I A 0.0000
739 E A -1.7550
740 F A 0.0000
741 V A -0.8382
742 Y A 0.0000
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Laboratory of Theory of Biopolymers 2018