Project name: 16f47d900d8b4d4

Status: done

Started: 2026-06-22 06:52:58
Settings
Chain sequence(s) A: MKWVTFISLLFLFSSAYSRGVFRRDAHKSEVAHRFKDLGEENFKALVLIAFAQYLQQCPFEDHVKLVNEVTEFAKTCVADESAENCDKSLHTLFGDKLCTVATLRETYGEMADCCAKQEPERNECFLQHKDDNPNLPRLVRPEVDVMCTAFHDNEETFLKKYLYEIARRHPYFYAPELLFFAKRYKAAFTECCQAADKAACLLPKLDELRDEGKASSAKQRLKCASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVHTECCHGDLLECADDRADLAKYICENQDSISSKLKECCEKPLLEKSHCIAEVENDEMPADLPSLAADFVESKDVCKNYAEAKDVFLGMFLYEYARRHPDYSVVLLLRLAKTYETTLEKCCAAADPHECYAKVFDEFKPLVEEPQNLIKQNCELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKCCKHPEAKRMPCAEDYLSVVLNQLCVLHEKTPVSDRVTKCCTESLVNRRPCFSALEVDETYVPKEFNAETFTFHADICTLSEKERQIKKQTALVELVKHKPKATKEQLKAVMDDFAAFVEKCCKADDKETCFAEEGKKLVAASQAALGLGGGGSGFLGGGGGSMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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                                          (00:18:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:48)
Show buried residues

Minimal score value
-4.0292
Maximal score value
3.0612
Average score
-1.0913
Total score value
-759.5387

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 0.8486
2 K A -0.4670
3 W A 0.8406
4 V A 1.9144
5 T A 0.9511
6 F A 1.2864
7 I A 1.5854
8 S A 1.9016
9 L A 2.4036
10 L A 2.3941
11 F A 3.0612
12 L A 2.8270
13 F A 2.4823
14 S A 1.7137
15 S A 0.9695
16 A A 0.7736
17 Y A 0.9690
18 S A -0.9104
19 R A -2.1983
20 G A -1.2485
21 V A -0.6931
22 F A -1.8962
23 R A -3.6573
24 R A -3.9745
25 D A -3.6393
26 A A -2.4554
27 H A -2.8358
28 K A -3.4628
29 S A 0.0000
30 E A -1.6467
31 V A 0.0000
32 A A 0.0000
33 H A -1.7162
34 R A 0.0000
35 F A -1.9986
36 K A -2.7411
37 D A -2.7853
38 L A -2.0193
39 G A -2.3205
40 E A -2.9114
41 E A -2.7029
42 N A -1.8765
43 F A 0.0000
44 K A -1.8465
45 A A -1.1457
46 L A 0.0000
47 V A 0.0000
48 L A 0.0000
49 I A 0.0000
50 A A 0.0000
51 F A 0.0000
52 A A 0.0000
53 Q A 0.0000
54 Y A 0.0000
55 L A 0.0000
56 Q A 0.0000
57 Q A -0.8501
58 C A 0.0000
59 P A -1.3514
60 F A 0.0000
61 E A -2.8989
62 D A -2.7207
63 H A 0.0000
64 V A -2.2387
65 K A -3.2041
66 L A -2.1229
67 V A 0.0000
68 N A -3.0098
69 E A -3.2762
70 V A 0.0000
71 T A 0.0000
72 E A -2.9110
73 F A -1.7170
74 A A 0.0000
75 K A -2.1010
76 T A -1.5891
77 C A 0.0000
78 V A -1.2059
79 A A -1.0297
80 D A -2.5283
81 E A -3.3952
82 S A -2.4755
83 A A -2.1770
84 E A -2.8702
85 N A -2.3557
86 C A 0.0000
87 D A -3.5703
88 K A -2.1874
89 S A -1.0244
90 L A -0.5519
91 H A -0.6698
92 T A -0.8588
93 L A -0.5958
94 F A -0.2618
95 G A 0.0000
96 D A -0.9251
97 K A -0.8379
98 L A 0.0000
99 C A -0.4492
100 T A -0.1141
101 V A -0.3064
102 A A -0.4396
103 T A -1.1109
104 L A 0.0000
105 R A -3.3826
106 E A -2.9474
107 T A -1.7826
108 Y A -1.8287
109 G A -2.5419
110 E A -3.0537
111 M A 0.0000
112 A A -2.3523
113 D A -2.7731
114 C A 0.0000
115 C A -1.3855
116 A A -1.3273
117 K A -2.6468
118 Q A -2.5726
119 E A -2.1233
120 P A -2.0041
121 E A -2.5856
122 R A 0.0000
123 N A -2.0459
124 E A -2.9408
125 C A -2.3304
126 F A 0.0000
127 L A -1.3830
128 Q A -1.7560
129 H A -1.4079
130 K A 0.0000
131 D A -1.6065
132 D A -1.5876
133 N A -2.0497
134 P A -1.6069
135 N A -2.0646
136 L A -1.1999
137 P A -0.7584
138 R A -1.0432
139 L A 1.1236
140 V A 1.2834
141 R A -0.0668
142 P A -0.6892
143 E A -1.9012
144 V A -1.3365
145 D A -1.7685
146 V A -0.2430
147 M A 0.0000
148 C A 0.0000
149 T A -1.0673
150 A A -1.0729
151 F A 0.0000
152 H A -2.4133
153 D A -2.9506
154 N A -2.6557
155 E A -2.5773
156 E A -2.8112
157 T A -1.6681
158 F A -1.4693
159 L A -1.3461
160 K A -1.2977
161 K A -1.2874
162 Y A -0.2855
163 L A 0.0000
164 Y A 0.0000
165 E A -0.1544
166 I A -0.1844
167 A A 0.0000
168 R A -0.6005
169 R A -1.1262
170 H A -0.7651
171 P A 0.0000
172 Y A -0.3043
173 F A 0.0000
174 Y A 0.0000
175 A A 0.0000
176 P A 0.0000
177 E A 0.0000
178 L A 0.0000
179 L A 0.0000
180 F A 0.0000
181 F A 0.0000
182 A A -0.9924
183 K A -2.0802
184 R A -1.4404
185 Y A -1.0349
186 K A -1.6831
187 A A -1.3441
188 A A 0.0000
189 F A 0.0000
190 T A -1.5115
191 E A -2.3144
192 C A 0.0000
193 C A 0.0000
194 Q A -2.0846
195 A A -1.7279
196 A A -1.2284
197 D A -2.1998
198 K A -2.1069
199 A A -1.1556
200 A A -0.5713
201 C A -0.9570
202 L A 0.0000
203 L A -0.2198
204 P A -0.9805
205 K A -1.4332
206 L A 0.0000
207 D A -2.5237
208 E A -3.4373
209 L A 0.0000
210 R A -3.6407
211 D A -4.0292
212 E A -3.0786
213 G A -2.5677
214 K A -3.0140
215 A A -1.9181
216 S A -1.4787
217 S A 0.0000
218 A A -1.1241
219 K A -1.3749
220 Q A 0.0000
221 R A -0.7442
222 L A 0.0000
223 K A -0.9486
224 C A 0.0000
225 A A 0.0000
226 S A 0.0000
227 L A 0.0000
228 Q A -2.3321
229 K A -2.3130
230 F A -1.6624
231 G A -2.2580
232 E A -3.2662
233 R A -3.1423
234 A A -1.8318
235 F A 0.0000
236 K A -2.0427
237 A A -1.3716
238 W A -0.7836
239 A A 0.0000
240 V A 0.0000
241 A A 0.0000
242 R A -0.8490
243 L A 0.0000
244 S A 0.0000
245 Q A 0.0000
246 R A -2.0281
247 F A 0.0000
248 P A 0.0000
249 K A -2.3049
250 A A 0.0000
251 E A -2.1593
252 F A -0.9377
253 A A -0.5341
254 E A -0.9920
255 V A 0.0000
256 S A -0.6115
257 K A -0.4678
258 L A 0.0000
259 V A 0.0000
260 T A -0.4969
261 D A 0.0000
262 L A -0.1507
263 T A 0.0000
264 K A -0.9493
265 V A 0.0000
266 H A 0.0000
267 T A -0.9865
268 E A -0.7789
269 C A 0.0000
270 C A 0.0000
271 H A -1.0968
272 G A -0.6758
273 D A -0.5795
274 L A 0.0000
275 L A 0.0000
276 E A -0.7780
277 C A 0.0000
278 A A 0.0000
279 D A -0.7446
280 D A 0.0000
281 R A 0.0000
282 A A -0.8128
283 D A -0.9792
284 L A 0.0000
285 A A 0.0000
286 K A -2.2575
287 Y A -1.4127
288 I A 0.0000
289 C A -2.3793
290 E A -2.6533
291 N A -2.0627
292 Q A -2.3466
293 D A -2.7721
294 S A -1.9915
295 I A 0.0000
296 S A 0.0000
297 S A -1.9942
298 K A -2.4348
299 L A 0.0000
300 K A -3.4324
301 E A -3.3504
302 C A 0.0000
303 C A -2.8026
304 E A -3.1680
305 K A -2.3866
306 P A -0.9015
307 L A -0.2772
308 L A -0.4070
309 E A -1.4546
310 K A -1.4892
311 S A 0.0000
312 H A -0.8808
313 C A -1.3071
314 I A 0.0000
315 A A -1.2049
316 E A -2.3348
317 V A -2.1778
318 E A -3.0988
319 N A -2.9373
320 D A 0.0000
321 E A -2.5556
322 M A -1.3834
323 P A -1.0767
324 A A -1.0719
325 D A -1.6742
326 L A -0.7452
327 P A -0.8781
328 S A -0.9297
329 L A -0.6827
330 A A -0.9943
331 A A -1.7471
332 D A -2.6710
333 F A 0.0000
334 V A 0.0000
335 E A -3.0967
336 S A -2.7749
337 K A -3.3493
338 D A -3.2358
339 V A 0.0000
340 C A -2.0097
341 K A -2.9896
342 N A -2.2604
343 Y A 0.0000
344 A A -2.2093
345 E A -2.6850
346 A A -1.9695
347 K A -2.6543
348 D A -2.6293
349 V A -1.0420
350 F A 0.0000
351 L A -1.0086
352 G A -0.5945
353 M A -0.1334
354 F A 0.0000
355 L A 0.0000
356 Y A 0.0000
357 E A -0.4601
358 Y A -0.1744
359 A A 0.0000
360 R A -1.0915
361 R A -0.6505
362 H A -0.5872
363 P A -1.2438
364 D A -1.4408
365 Y A -0.6281
366 S A 0.0000
367 V A 0.0000
368 V A 0.0000
369 L A 0.0000
370 L A 0.0000
371 L A 0.0000
372 R A 0.0000
373 L A 0.0000
374 A A -0.8277
375 K A -1.6280
376 T A -1.2218
377 Y A 0.0000
378 E A -2.2828
379 T A -1.7392
380 T A 0.0000
381 L A 0.0000
382 E A -2.4705
383 K A -2.4011
384 C A 0.0000
385 C A -1.1794
386 A A -0.8770
387 A A -1.2141
388 A A -0.9949
389 D A -2.3225
390 P A -2.0262
391 H A -2.6970
392 E A -2.8725
393 C A -1.7793
394 Y A 0.0000
395 A A -1.9529
396 K A -2.6703
397 V A 0.0000
398 F A -1.6574
399 D A -3.2657
400 E A -2.9533
401 F A 0.0000
402 K A -3.0207
403 P A -2.2758
404 L A -1.4968
405 V A 0.0000
406 E A -2.6321
407 E A -2.2801
408 P A 0.0000
409 Q A -2.8183
410 N A -2.8152
411 L A -1.8337
412 I A 0.0000
413 K A -3.3936
414 Q A -2.8075
415 N A -2.0499
416 C A 0.0000
417 E A -3.3336
418 L A -2.2200
419 F A -2.3324
420 E A -3.1446
421 Q A -2.6025
422 L A -1.7723
423 G A -1.6481
424 E A -1.7746
425 Y A -1.3234
426 K A -2.1138
427 F A 0.0000
428 Q A 0.0000
429 N A -1.1533
430 A A -1.0066
431 L A 0.0000
432 L A 0.0000
433 V A 0.0000
434 R A -0.9356
435 Y A -0.4116
436 T A 0.0000
437 K A -1.1096
438 K A -0.9636
439 V A 0.0000
440 P A 0.0000
441 Q A -0.3766
442 V A 0.0000
443 S A -0.3588
444 T A 0.0000
445 P A -0.6571
446 T A -0.7444
447 L A 0.0000
448 V A 0.0000
449 E A -1.7343
450 V A 0.0000
451 S A 0.0000
452 R A -0.9844
453 N A -0.8753
454 L A 0.0000
455 G A 0.0000
456 K A -1.1209
457 V A 0.0000
458 G A 0.0000
459 S A -1.5690
460 K A -1.5548
461 C A 0.0000
462 C A 0.0000
463 K A -2.7180
464 H A -2.1713
465 P A -2.0590
466 E A -3.1346
467 A A -1.9586
468 K A -2.4679
469 R A -2.4308
470 M A 0.0000
471 P A -0.7622
472 C A -0.5107
473 A A 0.0000
474 E A 0.0000
475 D A -0.1049
476 Y A -0.1499
477 L A 0.0828
478 S A -0.1807
479 V A 0.0000
480 V A 0.0000
481 L A 0.0000
482 N A 0.0000
483 Q A -0.4655
484 L A 0.0000
485 C A 0.0000
486 V A -0.9477
487 L A -1.0951
488 H A 0.0000
489 E A -2.4160
490 K A -2.6424
491 T A -1.0548
492 P A -1.0553
493 V A -0.0738
494 S A 0.0000
495 D A -2.1278
496 R A -1.4955
497 V A 0.0000
498 T A -1.9211
499 K A -2.4086
500 C A 0.0000
501 C A 0.0000
502 T A -1.8480
503 E A -2.2971
504 S A -1.4329
505 L A 0.0000
506 V A 0.0000
507 N A -0.9847
508 R A 0.0000
509 R A 0.0000
510 P A -0.2947
511 C A -0.4936
512 F A 0.0000
513 S A -0.2901
514 A A -0.3465
515 L A -0.7255
516 E A -1.8539
517 V A -1.1625
518 D A -1.1073
519 E A -1.9590
520 T A -0.4016
521 Y A 0.2045
522 V A 0.9426
523 P A -0.5600
524 K A -1.2789
525 E A -1.8543
526 F A -0.9729
527 N A -1.5336
528 A A -1.2745
529 E A -1.7893
530 T A -0.8032
531 F A -0.4796
532 T A -0.9912
533 F A -1.2719
534 H A -1.8519
535 A A -1.9743
536 D A -2.2658
537 I A 0.0000
538 C A -1.4424
539 T A -0.7803
540 L A -1.2898
541 S A -1.6492
542 E A -2.9872
543 K A -2.9496
544 E A -2.0766
545 R A -2.2601
546 Q A -1.6883
547 I A -1.1394
548 K A -1.2618
549 K A -0.7924
550 Q A 0.0000
551 T A -0.4595
552 A A 0.0000
553 L A 0.0000
554 V A 0.0000
555 E A 0.0000
556 L A 0.0000
557 V A 0.0000
558 K A 0.0000
559 H A -0.9579
560 K A -1.0385
561 P A -1.1366
562 K A -2.1894
563 A A 0.0000
564 T A -2.1858
565 K A -3.1773
566 E A -3.3027
567 Q A -2.2496
568 L A 0.0000
569 K A -3.7222
570 A A -2.6004
571 V A 0.0000
572 M A -2.1463
573 D A -2.9540
574 D A -2.8430
575 F A 0.0000
576 A A -1.8202
577 A A -1.9773
578 F A 0.0000
579 V A 0.0000
580 E A -3.0317
581 K A -2.9821
582 C A 0.0000
583 C A -2.8307
584 K A -3.3026
585 A A -3.1158
586 D A -3.2405
587 D A -3.2906
588 K A -3.3292
589 E A -2.8369
590 T A -2.1523
591 C A -2.6804
592 F A 0.0000
593 A A -2.1971
594 E A -3.1729
595 E A -2.7459
596 G A -2.1880
597 K A -3.0752
598 K A -3.0120
599 L A -1.7843
600 V A -0.8374
601 A A -0.8848
602 A A -0.6832
603 S A -0.5963
604 Q A -0.2145
605 A A -0.1036
606 A A -0.1257
607 L A 0.0000
608 G A -0.4247
609 L A -0.0058
610 G A -0.6874
611 G A -0.9241
612 G A -1.0201
613 G A -0.8670
614 S A -0.3633
615 G A 0.5438
616 F A 2.2802
617 L A 2.0710
618 G A 0.2774
619 G A -0.7231
620 G A -1.0639
621 G A -1.2292
622 G A -1.2315
623 S A -0.8470
624 M A -0.7940
625 I A 0.0000
626 E A -2.9613
627 I A 0.0000
628 I A -1.9708
629 C A 0.0000
630 N A -2.0705
631 D A 0.0000
632 R A -1.8764
633 L A -0.1523
634 G A -1.3536
635 K A -2.2316
636 K A -2.9436
637 I A -2.0374
638 R A -2.8989
639 I A 0.0000
640 K A -2.5129
641 C A 0.0000
642 N A -1.7957
643 T A -2.4245
644 D A -2.4707
645 D A -1.7689
646 T A -1.8469
647 I A 0.0000
648 G A 0.0000
649 D A -1.4091
650 L A 0.0000
651 K A 0.0000
652 K A -1.8772
653 L A -0.8782
654 I A 0.0000
655 A A -1.6158
656 A A -1.0485
657 Q A -1.5429
658 T A -1.1897
659 G A -1.3366
660 T A -1.7581
661 R A -2.7158
662 W A -1.9086
663 N A -2.3984
664 K A -1.9859
665 I A 0.0000
666 I A -0.0174
667 L A 0.0000
668 K A 0.3374
669 K A 0.2657
670 W A 1.6111
671 Y A 2.0048
672 T A 1.0701
673 I A 1.4419
674 F A 0.0000
675 K A -1.5208
676 D A -1.8931
677 H A -1.7438
678 I A -1.5345
679 S A -2.0946
680 L A 0.0000
681 G A -2.6178
682 D A -2.6487
683 Y A -1.8317
684 E A -2.8455
685 I A 0.0000
686 H A -2.7062
687 D A -3.2017
688 G A -2.1849
689 M A -1.9221
690 N A -1.9064
691 L A 0.0000
692 E A -0.9286
693 L A 0.0000
694 Y A 0.0398
695 Y A -0.3110
696 Q A -1.4301
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Laboratory of Theory of Biopolymers 2018