Project name: hxA43

Status: done

Started: 2026-05-20 08:17:49
Settings
Chain sequence(s) A: MITRSKNKNTMQAKVPPTDVETSTASLSSSPRSIFSSITPSSLSFKSRSLRSSTSSTISVDVVPEATVANNPTSATGTTNTRKKWSNEMNEFIWRNYLIITNLETDTNAYLNTLHTKFTEQFPNMTVSKQRIGDQRRAIVNNKLLPTITLDAIRSEVQTLLLTQNGTQQIQTQSQQEYTQINTLAHIQTKTRMKWSNELNETLMKLYFEVTKMETDMTMWRKNLRDKFIECYPHLAHLSEQRISDQKRVIINNKMIPETRLQIIKTVVEQEMHERDATVFQRSNSPILQQTTHYTHTQPQINVENTSLELGSQELDFTDENFDQQPTTINTHTENYERDSDIDELFLQALQYYTETHPTNRCYIPKQRTSKKFAKTVQYINKVILPDHVNTDTEFNQLQTIIYSAAWTAAKINGSKISLSFAQDRNNSQSNRKPRWQKRLEHKIEVIRSKIGRLTYYMQGHRSRKLDREVNKIIRDYKIHTIHEEPNRQLTHYLDTLKQKLTVIKSRLNRYTKCTLRKTQNSQFKNNEKQFYRTLKQSTTNHTTSNNTAHTAFPVEEDLRQFWAGIWENPVCHNTQADWIKTEEINYDTIQQMQFDQIDVETFHDVLNKAHNWKAPGTDHIHNFWLKKFTTIHPHLYNHINNFIKNPTNIPSYLTEGITYMLPKDLNDTANPAKYRPITCLQTMYKIITACITNIIYKHIDTHKILTEEQKGCRKFSQGCKEQLLIDSVILKDVQKYKKDLYTMYIDYKKAYDSVPHSWLLHILKIYKIHPYITRFLENIISKWQTKLHVNTSVGVVETEFIKIQRGIFQGDSLSPLWFCLALNPLSNQLKSLKAGFQLKYRNTVTTTEIRHQHCTINHLLYMDDIKLYAFSPEDLHQLADVTEIFSNDIGMEFGIDKCKINSVKAGKTYTHSYQLQTGDTIDSLDESGTYKYLGYIQTKQILHKEIKSQLTKQFKHRLKIICNTQLNARNTIKAINTYAIPILTYSFGIINWSKTELQNLQRNINTTLTKYRRHHPRSCTQRLTLPRNDGGRGIIDIPNLHNKQITTLRSYFYSKSPSSTLHNAIAQNDTKLTPLNMADQTTQNNETQTDRQTKITAWAHKSLHGRHYHDLNQSNVDKVASNEWLRRGELFPETEGFMLAIQDQVIETRNYQKHIMHIPIPTDICRRCNSASETIQHVTGACKAIVQSDYKHRHDQVANIIHQKLALKYKLISGSPTPYYKYHPEIVLENSAFKLYFDRAILTDKTTHFNRPDITLIDKINKSAQIIDIAIPNTHNLQNTVAEKLSKYTDLKIEITRMWRLNSVTIVPIVLSTTGVIPKQLHQSIKTLELPPYTYRTLQKAAILNTCHIVRKFLNETDKVSFTPTQN
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:44:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:45:32)
Show buried residues

Minimal score value
-4.3842
Maximal score value
2.7583
Average score
-0.8817
Total score value
-1206.1231

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 2.0605
2 I A 2.1196
3 T A 0.1127
4 R A -1.9178
5 S A -2.3114
6 K A -3.2267
7 N A -3.4087
8 K A -3.4181
9 N A -2.2050
10 T A -0.8592
11 M A 0.1411
12 Q A -0.9806
13 A A -0.8512
14 K A -1.1215
15 V A 0.7717
16 P A 0.1829
17 P A -0.3668
18 T A -0.8062
19 D A -1.3551
20 V A -0.0558
21 E A -1.3670
22 T A -0.7464
23 S A -0.6440
24 T A -0.2039
25 A A 0.1785
26 S A 0.5362
27 L A 1.3010
28 S A 0.3133
29 S A -0.1530
30 S A -0.9848
31 P A -1.3988
32 R A -1.4151
33 S A 0.1820
34 I A 2.3055
35 F A 2.7583
36 S A 1.6178
37 S A 1.3034
38 I A 1.9615
39 T A 0.6527
40 P A 0.2295
41 S A 0.1211
42 S A 0.5265
43 L A 1.5699
44 S A 1.0021
45 F A 1.1482
46 K A -1.1191
47 S A -1.3771
48 R A -2.0767
49 S A -0.8580
50 L A 0.0323
51 R A -1.4718
52 S A -0.8609
53 S A -0.6842
54 T A -0.3693
55 S A -0.4156
56 S A 0.0314
57 T A 0.6920
58 I A 2.1729
59 S A 1.2806
60 V A 1.5495
61 D A 0.3114
62 V A 2.0520
63 V A 1.7964
64 P A 0.0941
65 E A -1.5907
66 A A -0.6728
67 T A 0.4737
68 V A 1.5094
69 A A -0.0545
70 N A -1.5474
71 N A -2.0639
72 P A -1.3502
73 T A -0.5930
74 S A -0.4855
75 A A -0.2252
76 T A -0.3571
77 G A -0.7156
78 T A -0.7010
79 T A -1.0962
80 N A -2.1539
81 T A -2.2801
82 R A -3.4539
83 K A -3.5597
84 K A -3.0345
85 W A -1.7095
86 S A -1.7753
87 N A -2.3185
88 E A -2.5530
89 M A -1.7042
90 N A 0.0000
91 E A -1.7011
92 F A -1.2951
93 I A 0.0000
94 W A 0.0000
95 R A -1.1545
96 N A 0.0000
97 Y A 0.0000
98 L A 0.0000
99 I A -0.0661
100 I A -0.2176
101 T A 0.0000
102 N A -1.4039
103 L A -1.1819
104 E A -1.7706
105 T A -1.6556
106 D A -2.4011
107 T A -1.6525
108 N A -1.6891
109 A A -0.8125
110 Y A -0.4482
111 L A -0.7170
112 N A -1.4342
113 T A -0.7288
114 L A 0.0000
115 H A -1.7666
116 T A -1.5873
117 K A -2.0444
118 F A 0.0000
119 T A -1.9927
120 E A -2.9737
121 Q A -2.5201
122 F A 0.0000
123 P A -1.7210
124 N A -1.7567
125 M A 0.0000
126 T A -0.6652
127 V A -1.1509
128 S A -1.6368
129 K A -2.5074
130 Q A -2.9286
131 R A -3.3109
132 I A 0.0000
133 G A 0.0000
134 D A -2.8068
135 Q A 0.0000
136 R A -1.7531
137 R A -2.8029
138 A A -1.9166
139 I A 0.0000
140 V A -0.9141
141 N A -2.2743
142 N A -2.4409
143 K A -2.2156
144 L A -1.0103
145 L A 0.0000
146 P A 0.0457
147 T A 0.3208
148 I A 1.3277
149 T A 0.2361
150 L A -0.6050
151 D A -1.4721
152 A A -0.9126
153 I A -1.3050
154 R A -1.6922
155 S A -1.6397
156 E A -2.0026
157 V A 0.0000
158 Q A -0.6141
159 T A -0.2423
160 L A 0.0502
161 L A -0.0043
162 L A 0.8502
163 T A -0.2817
164 Q A -1.4921
165 N A -1.3854
166 G A -1.1152
167 T A -1.1785
168 Q A -2.2078
169 Q A -1.7655
170 I A -0.0058
171 Q A -1.6812
172 T A -1.8007
173 Q A -2.2892
174 S A -1.9290
175 Q A -2.7816
176 Q A -2.6920
177 E A -2.4688
178 Y A -0.2018
179 T A -0.4995
180 Q A -0.3719
181 I A 0.9404
182 N A -0.2546
183 T A 0.4623
184 L A 1.0689
185 A A 0.6649
186 H A 0.0562
187 I A 0.7611
188 Q A -0.9870
189 T A -1.3387
190 K A -2.3138
191 T A -2.1837
192 R A -2.6316
193 M A -1.7581
194 K A -2.1092
195 W A -1.3573
196 S A -1.4474
197 N A -1.9779
198 E A -2.2824
199 L A -1.2024
200 N A 0.0000
201 E A -1.2628
202 T A -0.7636
203 L A 0.0000
204 M A 0.0000
205 K A -0.2641
206 L A -0.6015
207 Y A 0.0000
208 F A 0.0000
209 E A -1.5832
210 V A 0.0000
211 T A 0.0000
212 K A -2.1906
213 M A -1.8912
214 E A -2.2980
215 T A -1.5960
216 D A -1.4669
217 M A -0.3226
218 T A 0.1229
219 M A 0.3347
220 W A -0.9974
221 R A -1.6630
222 K A -2.4584
223 N A -2.3900
224 L A 0.0000
225 R A -2.7187
226 D A -3.4130
227 K A -2.5466
228 F A 0.0000
229 I A -1.7562
230 E A -2.3348
231 C A -0.7640
232 Y A -0.6448
233 P A -1.2756
234 H A -1.2326
235 L A -0.7686
236 A A -1.2016
237 H A -1.2113
238 L A 0.0000
239 S A -1.2733
240 E A -2.1078
241 Q A -1.6713
242 R A -1.5403
243 I A 0.0000
244 S A 0.0000
245 D A -1.3741
246 Q A 0.0000
247 K A -1.0896
248 R A -2.2454
249 V A -1.1128
250 I A 0.0000
251 I A -1.2889
252 N A -2.2276
253 N A -2.3674
254 K A -2.6344
255 M A -1.1273
256 I A 0.0000
257 P A -1.7824
258 E A -2.3464
259 T A -1.3355
260 R A -1.3462
261 L A -1.0601
262 Q A -0.7923
263 I A 0.8838
264 I A 0.0000
265 K A -0.8357
266 T A -0.3137
267 V A 0.1471
268 V A 0.0000
269 E A -2.5908
270 Q A -3.0937
271 E A -3.0355
272 M A -3.0975
273 H A -3.6843
274 E A -3.9660
275 R A -3.2081
276 D A -2.3571
277 A A -1.1577
278 T A -0.4325
279 V A 1.0156
280 F A 1.1230
281 Q A -1.0438
282 R A -1.9644
283 S A -1.7302
284 N A -2.1007
285 S A -0.4263
286 P A 0.6647
287 I A 2.3552
288 L A 1.5933
289 Q A -0.6817
290 Q A -1.5509
291 T A -1.1786
292 T A -0.5477
293 H A -0.3907
294 Y A 0.5721
295 T A -0.1513
296 H A -1.0705
297 T A -1.2226
298 Q A -1.8612
299 P A -1.0072
300 Q A -0.9092
301 I A 1.1113
302 N A -0.0875
303 V A 0.3216
304 E A -1.8465
305 N A -1.6504
306 T A -0.8347
307 S A -0.0830
308 L A 0.7339
309 E A -0.5295
310 L A 0.5864
311 G A -0.6498
312 S A -1.1270
313 Q A -1.9227
314 E A -2.0522
315 L A -0.0581
316 D A -1.0486
317 F A 0.5505
318 T A -0.9714
319 D A -2.5705
320 E A -2.8890
321 N A -2.4672
322 F A -0.8124
323 D A -2.4254
324 Q A -2.6427
325 Q A -2.2159
326 P A -1.1851
327 T A -0.4653
328 T A 0.2581
329 I A 1.1397
330 N A -0.6777
331 T A -0.9073
332 H A -1.9173
333 T A -1.9701
334 E A -3.1061
335 N A -2.8998
336 Y A -2.6011
337 E A -3.3741
338 R A -3.4802
339 D A -3.0451
340 S A -2.6618
341 D A -2.8616
342 I A 0.0000
343 D A 0.0000
344 E A -2.2661
345 L A -1.0651
346 F A 0.0000
347 L A -0.1233
348 Q A -0.8493
349 A A 0.0000
350 L A -0.6006
351 Q A -1.2446
352 Y A -0.5721
353 Y A 0.0000
354 T A -1.4608
355 E A -2.1559
356 T A -1.6724
357 H A -1.8640
358 P A 0.0000
359 T A -0.8119
360 N A -1.0934
361 R A 0.0000
362 C A 0.5658
363 Y A 1.1252
364 I A 0.0000
365 P A -0.6659
366 K A -1.6201
367 Q A 0.0000
368 R A -2.6009
369 T A -1.7868
370 S A -2.1247
371 K A -2.8643
372 K A -2.9634
373 F A 0.0000
374 A A -2.1331
375 K A -2.3710
376 T A 0.0000
377 V A 0.0000
378 Q A -1.6575
379 Y A 0.0000
380 I A 0.0000
381 N A 0.0000
382 K A -1.8536
383 V A -1.6340
384 I A 0.0000
385 L A 0.0000
386 P A -1.6131
387 D A -2.3138
388 H A -1.4490
389 V A 0.0000
390 N A -2.5141
391 T A -2.0323
392 D A -2.7240
393 T A -2.4486
394 E A -2.8312
395 F A 0.0000
396 N A -1.6236
397 Q A -1.3003
398 L A 0.0000
399 Q A 0.0000
400 T A 0.0000
401 I A 0.0000
402 I A 0.0000
403 Y A 0.0000
404 S A 0.0000
405 A A 0.0000
406 A A 0.0000
407 W A 0.0000
408 T A 0.0000
409 A A 0.0000
410 A A 0.0000
411 K A -1.0900
412 I A -0.7488
413 N A 0.0000
414 G A -1.2399
415 S A -1.6331
416 K A -2.1713
417 I A 0.0000
418 S A -0.2733
419 L A 0.6546
420 S A 0.8519
421 F A 1.2313
422 A A -0.4560
423 Q A -2.3254
424 D A -3.6725
425 R A -4.3842
426 N A -3.8753
427 N A -3.4348
428 S A -2.4819
429 Q A -3.0621
430 S A -2.4380
431 N A -2.9051
432 R A -3.7201
433 K A -3.1609
434 P A -2.6251
435 R A -3.2259
436 W A -1.9940
437 Q A -2.6866
438 K A -3.6447
439 R A -3.8069
440 L A 0.0000
441 E A -2.5938
442 H A -3.1639
443 K A -2.8823
444 I A 0.0000
445 E A -3.0879
446 V A -1.4839
447 I A 0.0000
448 R A -2.9617
449 S A -1.6966
450 K A -1.5225
451 I A 0.0000
452 G A -0.7332
453 R A -1.0168
454 L A 0.0000
455 T A 0.0574
456 Y A 0.1337
457 Y A -0.5958
458 M A -0.2423
459 Q A -1.1977
460 G A -1.2760
461 H A -1.5853
462 R A -2.8734
463 S A -3.0179
464 R A -3.8510
465 K A -3.8502
466 L A 0.0000
467 D A -3.7180
468 R A -4.0530
469 E A -3.5039
470 V A 0.0000
471 N A -2.8289
472 K A -3.5770
473 I A 0.0000
474 I A -2.3008
475 R A -3.1639
476 D A -2.4972
477 Y A -1.5826
478 K A -2.6586
479 I A -0.8650
480 H A -1.3233
481 T A -0.3528
482 I A 0.8358
483 H A -1.2365
484 E A -2.5711
485 E A -3.0402
486 P A -2.3028
487 N A -2.8729
488 R A -2.9843
489 Q A -2.1775
490 L A -0.9490
491 T A -1.2757
492 H A -2.3045
493 Y A 0.0000
494 L A -1.4601
495 D A -2.6455
496 T A 0.0000
497 L A 0.0000
498 K A -2.5952
499 Q A -1.9713
500 K A -1.5628
501 L A 0.0000
502 T A -0.6282
503 V A 0.3065
504 I A 0.0000
505 K A -1.5560
506 S A -1.2743
507 R A -1.9539
508 L A -1.8140
509 N A -2.1976
510 R A -2.6175
511 Y A -0.8641
512 T A -1.0948
513 K A -1.7558
514 C A -0.8980
515 T A -0.7065
516 L A -0.4187
517 R A -1.0653
518 K A -1.9693
519 T A -1.2462
520 Q A -1.2013
521 N A -1.7162
522 S A -1.9346
523 Q A -2.0912
524 F A 0.0000
525 K A -2.6949
526 N A -2.8512
527 N A -2.6548
528 E A -2.5385
529 K A -2.8622
530 Q A -2.5185
531 F A 0.0000
532 Y A 0.0000
533 R A -3.1384
534 T A -2.0260
535 L A 0.0000
536 K A -2.4608
537 Q A -2.6662
538 S A -1.9088
539 T A -1.5155
540 T A -1.6972
541 N A -2.4616
542 H A -1.9112
543 T A -1.2034
544 T A -1.5452
545 S A -1.6744
546 N A -2.1708
547 N A -2.1197
548 T A -1.3300
549 A A -1.0755
550 H A -1.1379
551 T A -0.4957
552 A A -0.1158
553 F A 0.5019
554 P A 0.0000
555 V A -0.0983
556 E A -2.5085
557 E A -3.3863
558 D A -2.6179
559 L A 0.0000
560 R A -2.5571
561 Q A -2.1671
562 F A -0.0229
563 W A 0.0000
564 A A -0.9965
565 G A -0.5705
566 I A -0.3390
567 W A 0.0000
568 E A -2.0519
569 N A -1.8821
570 P A -0.8482
571 V A 0.2426
572 C A 0.7051
573 H A 0.0000
574 N A -1.3002
575 T A -1.3753
576 Q A -2.1931
577 A A 0.0000
578 D A -2.7558
579 W A 0.0000
580 I A 0.0000
581 K A -2.3573
582 T A -1.3299
583 E A 0.0000
584 E A -1.3303
585 I A 0.0953
586 N A -1.1863
587 Y A -1.2298
588 D A -1.8703
589 T A -1.1876
590 I A -1.2294
591 Q A -2.2129
592 Q A -2.6162
593 M A 0.0000
594 Q A -2.2555
595 F A 0.0000
596 D A -2.8553
597 Q A -2.6501
598 I A 0.0000
599 D A -1.6194
600 V A -0.8200
601 E A -2.2274
602 T A -1.7744
603 F A 0.0000
604 H A -2.4066
605 D A -3.2831
606 V A 0.0000
607 L A 0.0000
608 N A -3.1717
609 K A -3.1587
610 A A -2.3688
611 H A -2.2016
612 N A -1.6806
613 W A -1.3257
614 K A -2.0498
615 A A -0.9910
616 P A 0.0000
617 G A 0.0000
618 T A 0.0000
619 D A 0.0000
620 H A 0.1014
621 I A 0.0000
622 H A 0.0000
623 N A 0.0000
624 F A 0.0000
625 W A 0.0000
626 L A 0.0000
627 K A -1.3457
628 K A -1.2288
629 F A 0.0000
630 T A -0.7278
631 T A -0.5925
632 I A 0.0000
633 H A -0.4913
634 P A -0.5084
635 H A -1.3980
636 L A 0.0000
637 Y A -0.8629
638 N A -1.6017
639 H A -1.5598
640 I A 0.0000
641 N A -1.8696
642 N A -1.7888
643 F A 0.0000
644 I A 0.0000
645 K A -2.0581
646 N A -1.4592
647 P A 0.0000
648 T A -0.9401
649 N A -1.4316
650 I A 0.0000
651 P A -0.6260
652 S A -0.5473
653 Y A 0.0000
654 L A 0.0000
655 T A 0.0000
656 E A -0.3980
657 G A 0.0000
658 I A 0.0889
659 T A 0.0000
660 Y A 0.2013
661 M A 0.0000
662 L A -0.0793
663 P A -1.1655
664 K A -2.4368
665 D A -1.6451
666 L A -0.0640
667 N A -1.2864
668 D A -1.4368
669 T A 0.0000
670 A A -0.2148
671 N A -0.7235
672 P A 0.0000
673 A A -0.7969
674 K A -1.8628
675 Y A 0.0000
676 R A -1.6090
677 P A 0.0000
678 I A 0.2948
679 T A 0.0000
680 C A -0.0985
681 L A 0.0000
682 Q A 0.0000
683 T A 0.0000
684 M A 0.0000
685 Y A 0.0000
686 K A -0.3185
687 I A 0.0000
688 I A 0.0000
689 T A 0.0000
690 A A -0.3209
691 C A 0.0000
692 I A 0.0000
693 T A -0.3124
694 N A -0.7657
695 I A -0.7102
696 I A 0.0000
697 Y A 0.0000
698 K A -2.1894
699 H A 0.0000
700 I A 0.0000
701 D A -2.2980
702 T A -1.5528
703 H A -1.6840
704 K A -2.4884
705 I A 0.0000
706 L A 0.0000
707 T A 0.0000
708 E A -1.5437
709 E A -0.8935
710 Q A 0.0000
711 K A 0.0000
712 G A 0.0000
713 C A 0.1598
714 R A -0.4313
715 K A -0.1954
716 F A 1.3775
717 S A 0.3250
718 Q A -0.1579
719 G A -0.0288
720 C A 0.0547
721 K A -0.1244
722 E A 0.0000
723 Q A 0.0000
724 L A 0.0000
725 L A 0.0000
726 I A 0.0000
727 D A 0.0000
728 S A 0.0000
729 V A 0.0000
730 I A 0.0000
731 L A 0.0000
732 K A -1.0549
733 D A 0.0000
734 V A 0.0000
735 Q A -1.8373
736 K A -1.5091
737 Y A -0.4572
738 K A -2.3362
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1365 P A -0.2287
1366 T A -0.8408
1367 Q A -1.9326
1368 N A -1.9164
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Laboratory of Theory of Biopolymers 2018