Project name: hxA14

Status: done

Started: 2026-05-19 08:59:41
Settings
Chain sequence(s) A: MNSQNKRYNLRPLPGGRRGASGADAGCLSMRTVGDGGLSRRVPLEQNTTADRLPSPSSSEHSLFINIPSPSSTHTLFRSPISSPSSIYSSRSTRSTAVVQEAVAVNPAPTAGPSRARKKWSEEMNRFIWRTYLTITKCETTQMNNYLESLHTEFDNRYPEMQATRQRVGDQRRTILRRKLLPQHVLDEINKEVKEEIQTTDNYSSFAHSHNHTQHTTLTQSHANSTANTRIKWSDEMNEDIIRLYFEITELEVNKTSYRKKLYELFIEKYPNLSHITEQRIADQRRVIFCNKLNTDKIRRLKREVELKLIEQNNYLHSNTEQLHDTVENTHNTQYDNTLNSTHTPIVPTTSESVGNDIELPSTQNDAIELNSIEVEFNKAVGQFSDVHPEERPYIPKQRSSRKFAQIVQYLNSVILPKHLSREIDFMSLHTLIYSAAFAAATCNGTKFRVDNVPLSRCKRKPPWQRRIERRIEKYRFEIGRLTQYIVGNRNSRILKTVEEIKVKYKTHSQHEEPNTEPQDFLDTLKQKLNAASNRLRRYLACTHRKQQNSTFVNNEKQFYRTLGINNNQQNLNLEVPSPKNLQQFWAELWENPVQHETNADWLQRIEDTTLTPTMKFENIPIDTFLQVIKRTHNWKAPGTDHIHNYWYKKFTCTHSFLHSNIIRFIESPHTMPSFITHGITYMLPKGSDSKNPANYRPVTCLQTIYKIITGCISDIIYKHLDQHNILAEQQKGCKRNSQGCKEQLTIDAIVMKQAQVKNRNIHTMYVDYKKAFDSVPHSWLIYVLEHYKIHESVISFLRTTMLQWQTKLKLINDSCLTTDPIKIQRGIFQGDALSPLWFCLALNPLSELLNSTKLGFKLKYNNSSHILSHLLYMDDIKIYASNHTELIKLADITQLFSNDIHMQFGVDKCKIHSVNRGKVQSNTYVLETGEHIEPMDEHSTYKYLGFHQSKQIHQKQAKLELTNTFKIRLNQILRTHLNSRNSIKAINTYAIPVLTYSFGIIKWSKSDLIKLQRIINTRMTTHRKHHPRSCIQRLTLPRQEGGRGLIDIQNLHSNIVDKIRKYFYAKADESLLHKYVTDIDKNLTPLNLSNTNLQPNVVSKQQKLDMWSQKSLHGRHLTDLSQEHVDKDASNDWLRRGELFPETEAFVIAIQDQVIDTRNYQKHISRIPNLVTDLCRRCHSNSETIQHITGACKSIVQTDYKHRHDQVAAIIHQNLAHRHSFIPHKIAYYKYKPNTVLENNLIKIYWDRTIITDRTIHYNRPDITILDKINNSVFVIDIAVCNTHNLLTTYTEKMAKYVDLAIEIKRQWQVDTVKIVPLVISSTGVVPKSLQPNLNTLGVPKSTLTLLQKATLLNTCRLTRKFLASSSSS
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:36:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:37:04)
Show buried residues

Minimal score value
-4.8656
Maximal score value
3.3202
Average score
-0.9733
Total score value
-1333.3583

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 0.2490
2 N A -1.3899
3 S A -1.7248
4 Q A -2.9237
5 N A -3.2473
6 K A -3.3662
7 R A -2.6563
8 Y A -0.5730
9 N A -0.9942
10 L A 0.2579
11 R A -1.0181
12 P A -0.3364
13 L A 0.7017
14 P A -0.3914
15 G A -1.1092
16 G A -1.8824
17 R A -3.2420
18 R A -3.1858
19 G A -2.0957
20 A A -1.0783
21 S A -1.0255
22 G A -1.8881
23 A A -1.4033
24 D A -1.9522
25 A A -0.8035
26 G A -0.5227
27 C A -0.0406
28 L A 0.2616
29 S A 0.4193
30 M A 0.7524
31 R A -0.5817
32 T A -0.0690
33 V A 0.6721
34 G A -0.9388
35 D A -1.9694
36 G A -1.4172
37 G A -1.0934
38 L A -0.0458
39 S A -1.0303
40 R A -2.1085
41 R A -1.6286
42 V A 0.3867
43 P A 0.0807
44 L A 0.2931
45 E A -1.8042
46 Q A -2.3621
47 N A -2.1571
48 T A -1.2021
49 T A -0.9121
50 A A -1.3762
51 D A -2.3713
52 R A -2.0106
53 L A 0.0483
54 P A 0.0380
55 S A -0.1454
56 P A -0.4109
57 S A -0.5414
58 S A -0.8794
59 S A -1.4675
60 E A -2.5204
61 H A -1.7197
62 S A 0.1024
63 L A 2.5807
64 F A 3.3202
65 I A 2.9823
66 N A 1.1922
67 I A 1.6123
68 P A 0.3805
69 S A -0.0545
70 P A -0.3803
71 S A -0.5187
72 S A -0.6271
73 T A -0.7297
74 H A -0.7569
75 T A 0.5952
76 L A 1.8926
77 F A 1.7387
78 R A -0.7555
79 S A -0.4475
80 P A 0.1294
81 I A 1.6921
82 S A 0.6057
83 S A -0.1036
84 P A -0.5704
85 S A -0.0640
86 S A 0.9741
87 I A 2.4293
88 Y A 2.0609
89 S A 0.4404
90 S A -0.9677
91 R A -2.1144
92 S A -1.6212
93 T A -1.5378
94 R A -2.0553
95 S A -1.2625
96 T A -0.1541
97 A A 1.1973
98 V A 2.4065
99 V A 1.6453
100 Q A -0.8194
101 E A -1.5963
102 A A -0.2147
103 V A 1.8277
104 A A 1.2737
105 V A 1.5166
106 N A -0.5440
107 P A -0.4736
108 A A -0.3081
109 P A -0.5326
110 T A -0.3520
111 A A -0.3435
112 G A -0.9831
113 P A -1.0721
114 S A -1.5564
115 R A -2.8174
116 A A -2.4856
117 R A -3.5770
118 K A -3.9784
119 K A -3.1107
120 W A -1.9987
121 S A -2.1011
122 E A -2.9443
123 E A -2.9791
124 M A -2.0863
125 N A 0.0000
126 R A -2.2026
127 F A -1.7010
128 I A 0.0000
129 W A 0.0000
130 R A -1.0609
131 T A 0.0000
132 Y A 0.0000
133 L A 0.0000
134 T A -0.9750
135 I A -0.4122
136 T A 0.0000
137 K A -1.7473
138 C A -1.7935
139 E A -2.2269
140 T A -1.4143
141 T A -1.4464
142 Q A -2.0719
143 M A -1.5826
144 N A -2.1625
145 N A -2.2304
146 Y A 0.0000
147 L A -1.5541
148 E A -2.3779
149 S A -1.4809
150 L A 0.0000
151 H A -2.3708
152 T A -2.3111
153 E A -2.8615
154 F A 0.0000
155 D A -3.5013
156 N A -3.4247
157 R A -3.3946
158 Y A 0.0000
159 P A -2.7143
160 E A -2.8015
161 M A 0.0000
162 Q A -2.3629
163 A A 0.0000
164 T A -1.7869
165 R A -2.7038
166 Q A -2.5135
167 R A -2.1168
168 V A 0.0000
169 G A 0.0000
170 D A -2.2157
171 Q A 0.0000
172 R A -1.1662
173 R A -1.9664
174 T A -1.9019
175 I A 0.0000
176 L A -1.4849
177 R A -2.9465
178 R A -3.1559
179 K A -2.7393
180 L A -1.2763
181 L A 0.0000
182 P A -1.2470
183 Q A -2.2063
184 H A -2.4559
185 V A 0.0000
186 L A 0.0000
187 D A -3.3811
188 E A -3.9202
189 I A 0.0000
190 N A -3.3070
191 K A -4.4789
192 E A -4.4042
193 V A 0.0000
194 K A -4.2992
195 E A -4.4974
196 E A -4.0839
197 I A -3.3167
198 Q A -3.4553
199 T A -2.4844
200 T A -1.9634
201 D A -2.5084
202 N A -1.5735
203 Y A 0.3236
204 S A -0.2048
205 S A 0.1167
206 F A 1.4894
207 A A 0.4585
208 H A -1.0514
209 S A -1.1624
210 H A -2.2303
211 N A -2.4774
212 H A -2.1182
213 T A -1.7035
214 Q A -1.9838
215 H A -1.6752
216 T A -0.4916
217 T A 0.2973
218 L A 1.1138
219 T A -0.0508
220 Q A -1.1762
221 S A -1.2450
222 H A -1.7296
223 A A -1.3016
224 N A -1.6370
225 S A -1.0974
226 T A -0.7607
227 A A -1.0143
228 N A -1.7461
229 T A -1.6646
230 R A -2.3932
231 I A -1.4001
232 K A -2.0587
233 W A -1.4950
234 S A -1.8568
235 D A -3.1657
236 E A -2.8132
237 M A -1.9140
238 N A -1.7836
239 E A -2.0532
240 D A 0.0000
241 I A 0.0000
242 I A 0.0000
243 R A -2.1449
244 L A 0.0000
245 Y A 0.0000
246 F A 0.0000
247 E A -2.5066
248 I A -1.7018
249 T A 0.0000
250 E A -2.4552
251 L A -1.8896
252 E A -1.6747
253 V A -0.1884
254 N A -1.9591
255 K A -2.4776
256 T A -1.4828
257 S A -1.7613
258 Y A 0.0000
259 R A -2.9081
260 K A -3.3487
261 K A -2.9211
262 L A 0.0000
263 Y A -2.6258
264 E A -2.8861
265 L A -1.7908
266 F A 0.0000
267 I A -1.9998
268 E A -2.7586
269 K A -2.3836
270 Y A -1.5417
271 P A -1.8374
272 N A -1.8427
273 L A -1.1702
274 S A -1.4461
275 H A -1.3772
276 I A 0.0000
277 T A -1.6189
278 E A -2.9424
279 Q A -2.5650
280 R A -2.7695
281 I A 0.0000
282 A A 0.0000
283 D A -2.0132
284 Q A -1.3459
285 R A -1.4671
286 R A -1.8922
287 V A -0.5772
288 I A 0.0000
289 F A -0.2712
290 C A -0.3144
291 N A -1.7313
292 K A -2.5018
293 L A -2.0822
294 N A -2.7723
295 T A -2.6525
296 D A -3.8943
297 K A -3.8709
298 I A -3.3011
299 R A -4.6466
300 R A -4.8656
301 L A 0.0000
302 K A -4.1433
303 R A -4.3186
304 E A -3.6055
305 V A 0.0000
306 E A -2.7393
307 L A -1.6404
308 K A -2.7346
309 L A -1.9146
310 I A -0.6381
311 E A -2.2111
312 Q A -1.7042
313 N A -1.5672
314 N A -1.6685
315 Y A -0.0681
316 L A -0.1872
317 H A -1.6474
318 S A -1.5140
319 N A -1.6682
320 T A -1.5386
321 E A -2.8926
322 Q A -2.4213
323 L A -0.7375
324 H A -1.6389
325 D A -2.2235
326 T A -0.6722
327 V A -0.0220
328 E A -1.8461
329 N A -2.1068
330 T A -1.6570
331 H A -1.9433
332 N A -2.2255
333 T A -1.2592
334 Q A -1.2943
335 Y A -0.5582
336 D A -1.9414
337 N A -1.5490
338 T A -0.6321
339 L A 0.5439
340 N A -0.6277
341 S A -0.7347
342 T A -0.9546
343 H A -1.1612
344 T A -0.2324
345 P A 0.8223
346 I A 2.6714
347 V A 2.5589
348 P A 0.9862
349 T A 0.0724
350 T A -0.7372
351 S A -1.0381
352 E A -1.6527
353 S A -0.5933
354 V A 0.4245
355 G A -0.8069
356 N A -1.6328
357 D A -1.6680
358 I A 0.2277
359 E A -0.8512
360 L A 0.7252
361 P A -0.2763
362 S A -0.7862
363 T A -0.9905
364 Q A -1.8688
365 N A -1.9742
366 D A -1.6448
367 A A -0.8829
368 I A -0.1607
369 E A -1.9417
370 L A -1.0139
371 N A -1.1912
372 S A -0.7379
373 I A 0.0000
374 E A -1.2860
375 V A -0.3119
376 E A -1.4520
377 F A 0.0000
378 N A -1.7985
379 K A -2.5022
380 A A 0.0000
381 V A -1.3448
382 G A -2.0787
383 Q A -2.2134
384 F A 0.0000
385 S A -1.3784
386 D A -2.0961
387 V A -1.5444
388 H A -1.5463
389 P A 0.0000
390 E A -1.4401
391 E A -2.0280
392 R A 0.0000
393 P A -0.1347
394 Y A 0.6291
395 I A 0.0000
396 P A -0.4958
397 K A -1.6380
398 Q A 0.0000
399 R A -2.4858
400 S A -1.8342
401 S A -2.0076
402 R A -3.0791
403 K A -2.5810
404 F A 0.0000
405 A A -1.8988
406 Q A -1.8329
407 I A 0.0000
408 V A 0.0000
409 Q A -1.3446
410 Y A -0.3711
411 L A 0.0000
412 N A -0.5529
413 S A -0.3577
414 V A -0.0385
415 I A 0.0000
416 L A 0.0000
417 P A -0.8859
418 K A -1.7933
419 H A -1.0911
420 L A -1.3368
421 S A -2.0292
422 R A -2.8497
423 E A -2.9522
424 I A -1.9027
425 D A -1.9763
426 F A 0.0000
427 M A -0.2657
428 S A -0.5729
429 L A 0.0000
430 H A 0.0000
431 T A 0.0000
432 L A 0.0000
433 I A 0.0000
434 Y A 0.0000
435 S A 0.0000
436 A A 0.0000
437 A A 0.0000
438 F A 0.3423
439 A A 0.0000
440 A A 0.0000
441 A A 0.0000
442 T A -0.5175
443 C A -0.7230
444 N A 0.0000
445 G A -0.6397
446 T A -1.2290
447 K A -1.6541
448 F A -0.7249
449 R A -0.9000
450 V A 0.2030
451 D A -1.3335
452 N A -0.7630
453 V A 0.8975
454 P A 0.3005
455 L A 0.9959
456 S A -0.4541
457 R A -1.9985
458 C A -1.5200
459 K A -3.1874
460 R A -3.4727
461 K A -2.8386
462 P A -1.9130
463 P A -1.5514
464 W A -1.0483
465 Q A -2.1458
466 R A -3.2307
467 R A -3.5285
468 I A -2.6985
469 E A -2.8164
470 R A -4.1972
471 R A -3.9682
472 I A -2.9450
473 E A -3.1594
474 K A -2.8776
475 Y A 0.0000
476 R A -2.5869
477 F A -0.9643
478 E A 0.0000
479 I A -0.9142
480 G A -0.8758
481 R A -0.7422
482 L A 0.0000
483 T A 0.0367
484 Q A -0.6202
485 Y A -0.1921
486 I A 0.5080
487 V A 1.3189
488 G A -0.2818
489 N A -1.3499
490 R A -2.7111
491 N A -3.0615
492 S A -2.4400
493 R A -3.0663
494 I A 0.0000
495 L A -2.5236
496 K A -3.5253
497 T A -2.4898
498 V A 0.0000
499 E A -3.2502
500 E A -3.3868
501 I A 0.0000
502 K A -2.6849
503 V A -1.1039
504 K A -2.3536
505 Y A 0.0000
506 K A -2.5765
507 T A -2.5408
508 H A -2.4315
509 S A -2.3141
510 Q A -2.6563
511 H A -2.9516
512 E A -3.7306
513 E A -3.5405
514 P A -2.8877
515 N A -2.5416
516 T A -2.1072
517 E A -2.5892
518 P A -1.7892
519 Q A -2.2205
520 D A -2.5892
521 F A 0.0000
522 L A -1.3863
523 D A -1.5716
524 T A 0.0000
525 L A 0.0000
526 K A -1.7538
527 Q A -1.9727
528 K A -1.8985
529 L A -2.4132
530 N A -2.1598
531 A A -1.9778
532 A A 0.0000
533 S A -2.3738
534 N A -3.0883
535 R A -2.7744
536 L A 0.0000
537 R A -2.9099
538 R A -2.2468
539 Y A -1.0649
540 L A -1.3142
541 A A -1.4867
542 C A -1.0295
543 T A -1.5469
544 H A -2.2743
545 R A -2.2505
546 K A -2.9847
547 Q A -2.5501
548 Q A -1.8907
549 N A -1.4520
550 S A -1.1795
551 T A -1.2642
552 F A 0.0000
553 V A 0.3813
554 N A -1.5251
555 N A -1.8327
556 E A -1.7429
557 K A -2.7795
558 Q A -2.5562
559 F A 0.0000
560 Y A 0.0000
561 R A -2.5277
562 T A -1.3234
563 L A -1.2703
564 G A -1.3949
565 I A -1.4593
566 N A -2.4991
567 N A -2.7677
568 N A -2.8486
569 Q A -2.8471
570 Q A -2.8070
571 N A -1.9540
572 L A -0.6329
573 N A -1.4334
574 L A -1.3097
575 E A -2.4364
576 V A -1.6562
577 P A 0.0000
578 S A -1.6240
579 P A -1.4917
580 K A -2.7599
581 N A -2.2352
582 L A 0.0000
583 Q A -2.2024
584 Q A -2.0671
585 F A -0.5323
586 W A 0.0000
587 A A -1.8067
588 E A -2.2347
589 L A -1.3133
590 W A 0.0000
591 E A -2.5033
592 N A -2.4582
593 P A -1.6636
594 V A -1.2432
595 Q A -1.5450
596 H A 0.0000
597 E A -2.0475
598 T A -1.6285
599 N A -2.2078
600 A A -2.0866
601 D A -2.9609
602 W A 0.0000
603 L A 0.0000
604 Q A -3.8520
605 R A -3.9210
606 I A 0.0000
607 E A -3.2426
608 D A -3.2565
609 T A -1.7690
610 T A -0.7697
611 L A 0.7876
612 T A 0.0798
613 P A -0.3262
614 T A -1.1248
615 M A 0.0000
616 K A -2.2745
617 F A -2.0481
618 E A -2.6430
619 N A -1.9394
620 I A 0.0000
621 P A -0.5123
622 I A 0.0937
623 D A -1.3741
624 T A 0.0000
625 F A 0.0000
626 L A -1.2466
627 Q A -2.2133
628 V A 0.0000
629 I A 0.0000
630 K A -3.1965
631 R A -3.1903
632 T A -2.4715
633 H A -2.4399
634 N A -2.0713
635 W A -1.4615
636 K A -2.1327
637 A A -1.0275
638 P A 0.0000
639 G A 0.0000
640 T A 0.0000
641 D A 0.0000
642 H A -0.0461
643 I A 0.0000
644 H A 0.0000
645 N A 0.0000
646 Y A 0.0000
647 W A 0.0000
648 Y A 0.0000
649 K A -1.4379
650 K A -1.3874
651 F A 0.0000
652 T A -0.4726
653 C A -0.0576
654 T A 0.0000
655 H A -0.0343
656 S A -0.1068
657 F A -0.5626
658 L A 0.0000
659 H A -0.0658
660 S A -0.4398
661 N A -1.0514
662 I A 0.0000
663 I A -1.4323
664 R A -2.2403
665 F A 0.0000
666 I A 0.0000
667 E A -2.6790
668 S A -1.5662
669 P A 0.0000
670 H A -1.4164
671 T A -1.0735
672 M A 0.0000
673 P A -0.2602
674 S A -0.2149
675 F A 0.0000
676 I A 0.0000
677 T A 0.0000
678 H A -0.5172
679 G A 0.0000
680 I A 0.0269
681 T A 0.0000
682 Y A 0.7018
683 M A 0.0000
684 L A 0.1814
685 P A -1.5059
686 K A -2.5790
687 G A -1.8627
688 S A -1.7633
689 D A -3.2445
690 S A 0.0000
691 K A -3.1132
692 N A -2.4181
693 P A 0.0000
694 A A -1.1422
695 N A -2.1291
696 Y A 0.0000
697 R A -1.6988
698 P A 0.0000
699 V A 0.1918
700 T A 0.0000
701 C A -0.1249
702 L A 0.0000
703 Q A 0.0000
704 T A 0.0000
705 I A 0.0000
706 Y A 0.0000
707 K A -0.3452
708 I A 0.0000
709 I A 0.0000
710 T A 0.0000
711 G A 0.0000
712 C A 0.0000
713 I A 0.0000
714 S A 0.0000
715 D A -0.6439
716 I A 0.0000
717 I A 0.0000
718 Y A -1.8107
719 K A -2.8601
720 H A 0.0000
721 L A 0.0000
722 D A -3.6971
723 Q A -3.0258
724 H A -2.2024
725 N A -2.6689
726 I A -1.2655
727 L A 0.0000
728 A A -1.0259
729 E A -1.2539
730 Q A 0.0000
731 Q A 0.0000
732 K A 0.0000
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1224 P A -0.9208
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1362 K A -2.8246
1363 F A 0.0000
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1367 S A -0.7279
1368 S A -0.7000
1369 S A -0.9497
1370 S A -0.4609
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Laboratory of Theory of Biopolymers 2018