Project name: 89ba670c6a899b4

Status: done

Started: 2025-02-21 06:49:45
Chain sequence(s) A: MAKRLVLFVAVVVALVALTVAEGEASEQLQCERELQELQERELKACQQVMDQQLRDISPECHPVVVSPVAGQYEQQIVVPPKGGSFYPGETTPPQQLQQRIFWGIPALLKRYYPSVTCPQQVSYYPGQASPQRPGQGQQPGQGQQGYYPTSPQQPGQWQQPEQGQPRYYPTSPQQSGQLQQPAQGQQPGQGQQGQQPGQGQPGYYPTSSQLQPGQLQQPAQGQQGQQPGQAQQGQQPGQGQQPGQGQQGQQPGQGQQPGQGQQGQQLGQGQQGYYPTSLQQSGQGQPGYYPTSLQQLGQGQSGYYPTSPQQPGQGQQPGQLQQPAQGQQPGQGQQGQQPGQGQQGQQPGQGQQPGQGQPGYYPTSPQQSGQGQPGYYPTSSQQPTQSQQPGQGQQGQQVGQGQQAQQPGQGQQPGQGQPGYYPTSPQQSGQGQPGYYLTSPQQSGQGQQPGQLQQSAQGQKGQQPGQGQQPGQGQQGQQPGQGQQGQQPGQGQPGYYPTSPQQSGQGQQPGQWQQPGQGQPGYYPTSPLQPGQGQPGYDPTSPQQPGQGQQPGQLQQPAQGQQGQQLAQGQQGQQPAQVQQGQRPAQGQQGQQPGQGQQGQQLGQGQQGQQPGQGQQGQQPAQGQQGQQPGQGQQGQQPGQGQQGQQPGQGQQPGQGQPWYYPTSPQESGQGQQPGQWQQPGQGQPGYYLTSPLQLGQGQQGYYPTSLQQPGQGQQPGQWQQSGQGQHWYYPTSPQLSGQGQRPGQWLQPGQGQQGYYPTSPQQPGQGQQLGQWLQPGQGQQGYYPTSLQQTGQGQQSGQGQQGYYSSYHVSVEHQAASLKVAKAQQLAAQLPAMCRLEGGDALSASQ
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
pH calculations No
alphaCutter 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.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:09)
Show buried residues

Minimal score value
-4.0935
Maximal score value
5.5226
Average score
-1.0581
Total score value
-897.2624

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A 0.6600
2 A A 0.5789
3 K A -0.5294
4 R A 0.2854
5 L A 3.0797
6 V A 3.8129
7 L A 4.0945
8 F A 5.0163
9 V A 5.4312
10 A A 4.7082
11 V A 5.5226
12 V A 5.3532
13 V A 5.0436
14 A A 4.0179
15 L A 4.7658
16 V A 4.6055
17 A A 3.3116
18 L A 3.0852
19 T A 1.7341
20 V A 1.9868
21 A A 0.4787
22 E A -1.6119
23 G A -1.5189
24 E A -2.4466
25 A A -1.8154
26 S A -2.3449
27 E A -3.5006
28 Q A -3.3024
29 L A -1.5631
30 Q A -3.1861
31 C A -2.8855
32 E A -3.4188
33 R A -4.0935
34 E A -3.5072
35 L A -1.6219
36 Q A -3.7603
37 E A -3.5595
38 L A -2.3671
39 Q A -3.2907
40 E A -3.7724
41 R A -3.8251
42 E A -3.0733
43 L A -1.5109
44 K A -2.7666
45 A A -1.6027
46 C A -0.3571
47 Q A -1.5480
48 Q A -1.2950
49 V A 0.6201
50 M A -0.0112
51 D A -1.2491
52 Q A -1.6808
53 Q A -1.2676
54 L A -0.0905
55 R A -2.1771
56 D A -2.0454
57 I A 0.4586
58 S A -0.6774
59 P A -1.5523
60 E A -1.9979
61 C A -0.5568
62 H A -0.7282
63 P A 0.7396
64 V A 2.8215
65 V A 3.1819
66 V A 3.2168
67 S A 1.8862
68 P A 1.1590
69 V A 1.5516
70 A A 0.4683
71 G A -0.3882
72 Q A -0.8499
73 Y A -0.5136
74 E A -2.3907
75 Q A -2.0969
76 Q A -0.9561
77 I A 2.4119
78 V A 3.2808
79 V A 2.8708
80 P A 0.4992
81 P A -0.9023
82 K A -2.1928
83 G A -1.6189
84 G A -0.6881
85 S A 0.6842
86 F A 2.3092
87 Y A 1.7562
88 P A 0.3111
89 G A -1.2295
90 E A -2.0230
91 T A -1.2082
92 T A -0.8491
93 P A -0.7747
94 P A -1.1234
95 Q A -2.0623
96 Q A -2.0094
97 L A -0.3475
98 Q A -1.1990
99 Q A -1.3379
100 R A -0.5569
101 I A 2.1339
102 F A 2.7636
103 W A 2.1368
104 G A 1.8536
105 I A 3.3264
106 P A 1.6734
107 A A 1.0612
108 L A 1.8394
109 L A 1.8052
110 K A -0.7305
111 R A -0.8198
112 Y A 1.0306
113 Y A 1.4553
114 P A 0.8674
115 S A 1.0640
116 V A 2.0911
117 T A 0.5791
118 C A -0.4182
119 P A -0.6640
120 Q A -1.6041
121 Q A -1.1150
122 V A 1.3086
123 S A 1.0751
124 Y A 2.0416
125 Y A 1.7154
126 P A 0.2015
127 G A -0.5675
128 Q A -1.3662
129 A A -0.9648
130 S A -0.8632
131 P A -1.4573
132 Q A -2.3557
133 R A -2.8543
134 P A -1.9249
135 G A -1.8970
136 Q A -2.1976
137 G A -2.1417
138 Q A -2.3926
139 Q A -2.2502
140 P A -1.6137
141 G A -1.7275
142 Q A -2.0860
143 G A -2.0875
144 Q A -2.4484
145 Q A -1.9407
146 G A -0.6586
147 Y A 1.3899
148 Y A 1.7141
149 P A 0.5585
150 T A -0.2259
151 S A -0.7105
152 P A -1.2773
153 Q A -2.0646
154 Q A -2.1952
155 P A -1.4783
156 G A -1.5383
157 Q A -1.5573
158 W A -0.4412
159 Q A -1.9516
160 Q A -2.4306
161 P A -2.1678
162 E A -3.0530
163 Q A -2.7410
164 G A -2.3191
165 Q A -2.1281
166 P A -1.5503
167 R A -1.4272
168 Y A 0.8039
169 Y A 1.4295
170 P A 0.6971
171 T A -0.0785
172 S A -0.8215
173 P A -1.2159
174 Q A -2.0952
175 Q A -2.1613
176 S A -1.5314
177 G A -1.1033
178 Q A -0.9391
179 L A 0.0339
180 Q A -1.2971
181 Q A -1.6065
182 P A -1.4276
183 A A -1.2126
184 Q A -1.7031
185 G A -1.8979
186 Q A -2.3654
187 Q A -2.2594
188 P A -1.8014
189 G A -1.7384
190 Q A -2.2299
191 G A -2.0671
192 Q A -2.6257
193 Q A -2.7350
194 G A -2.3604
195 Q A -2.5991
196 Q A -2.3710
197 P A -1.8143
198 G A -1.8215
199 Q A -1.9816
200 G A -1.7900
201 Q A -1.9715
202 P A -1.1508
203 G A 0.0522
204 Y A 1.6638
205 Y A 1.7150
206 P A 0.7151
207 T A -0.0671
208 S A -0.3829
209 S A -0.7141
210 Q A -0.8745
211 L A 0.1963
212 Q A -0.9909
213 P A -0.9859
214 G A -0.9901
215 Q A -0.9466
216 L A 0.0355
217 Q A -1.3213
218 Q A -1.7387
219 P A -1.4317
220 A A -1.0307
221 Q A -1.8153
222 G A -1.8968
223 Q A -2.4125
224 Q A -2.4388
225 G A -2.2158
226 Q A -2.3599
227 Q A -2.2813
228 P A -1.7080
229 G A -1.6216
230 Q A -1.9769
231 A A -1.5588
232 Q A -2.3124
233 Q A -2.4923
234 G A -2.3091
235 Q A -2.4868
236 Q A -2.1069
237 P A -1.6682
238 G A -1.5599
239 Q A -1.9459
240 G A -1.9421
241 Q A -2.2995
242 Q A -2.1012
243 P A -1.6358
244 G A -1.5160
245 Q A -1.9644
246 G A -2.0953
247 Q A -2.4006
248 Q A -2.3817
249 G A -2.1558
250 Q A -2.3249
251 Q A -2.2247
252 P A -1.6688
253 G A -1.5590
254 Q A -2.0993
255 G A -1.9455
256 Q A -2.3124
257 Q A -2.2358
258 P A -1.6721
259 G A -1.5438
260 Q A -2.0873
261 G A -1.9787
262 Q A -2.4795
263 Q A -2.3801
264 G A -2.0996
265 Q A -2.0744
266 Q A -1.2538
267 L A 0.1239
268 G A -0.6837
269 Q A -1.6981
270 G A -2.0221
271 Q A -2.2281
272 Q A -1.6964
273 G A -0.4041
274 Y A 1.2528
275 Y A 1.5508
276 P A 0.7634
277 T A 0.4550
278 S A 0.1801
279 L A 0.4264
280 Q A -0.9930
281 Q A -1.7970
282 S A -1.4512
283 G A -1.5267
284 Q A -2.0610
285 G A -1.8590
286 Q A -1.9225
287 P A -1.0297
288 G A -0.0047
289 Y A 1.6168
290 Y A 1.7142
291 P A 0.6629
292 T A 0.1687
293 S A 0.1740
294 L A 0.4823
295 Q A -0.6528
296 Q A -0.7924
297 L A 0.1174
298 G A -0.6480
299 Q A -1.5567
300 G A -1.6386
301 Q A -1.8747
302 S A -0.8823
303 G A 0.0427
304 Y A 1.6582
305 Y A 1.7264
306 P A 0.5658
307 T A -0.4025
308 S A -1.2657
309 P A -1.5995
310 Q A -2.3481
311 Q A -2.1983
312 P A -1.5848
313 G A -1.5057
314 Q A -2.1031
315 G A -1.9842
316 Q A -2.3515
317 Q A -2.2195
318 P A -1.3329
319 G A -1.0726
320 Q A -0.9305
321 L A 0.0168
322 Q A -1.3216
323 Q A -1.5927
324 P A -1.3513
325 A A -1.0219
326 Q A -1.7423
327 G A -1.9361
328 Q A -2.2975
329 Q A -2.1128
330 P A -1.7195
331 G A -1.5882
332 Q A -2.0140
333 G A -2.0915
334 Q A -2.3615
335 Q A -2.3873
336 G A -2.2418
337 Q A -2.3393
338 Q A -2.1368
339 P A -1.6801
340 G A -1.6164
341 Q A -1.9816
342 G A -2.0545
343 Q A -2.4629
344 Q A -2.4330
345 G A -2.1218
346 Q A -2.3568
347 Q A -2.1898
348 P A -1.6369
349 G A -1.5049
350 Q A -2.1861
351 G A -2.1367
352 Q A -2.4625
353 Q A -2.3283
354 P A -1.6363
355 G A -1.7497
356 Q A -2.1031
357 G A -2.0674
358 Q A -1.9095
359 P A -1.0680
360 G A 0.0118
361 Y A 1.4838
362 Y A 1.6775
363 P A 0.6266
364 T A -0.1642
365 S A -0.7220
366 P A -1.2910
367 Q A -2.0650
368 Q A -2.2753
369 S A -2.0803
370 G A -2.2348
371 Q A -2.4880
372 G A -2.1394
373 Q A -1.9768
374 P A -1.0408
375 G A -0.1299
376 Y A 1.4726
377 Y A 1.6490
378 P A 0.7251
379 T A 0.1026
380 S A -0.5334
381 S A -1.1709
382 Q A -2.0309
383 Q A -2.0250
384 P A -1.5026
385 T A -1.0884
386 Q A -1.6615
387 S A -1.7321
388 Q A -2.3209
389 Q A -2.2972
390 P A -1.7580
391 G A -1.7749
392 Q A -2.1521
393 G A -2.1372
394 Q A -2.4199
395 Q A -2.4171
396 G A -2.2763
397 Q A -1.9541
398 Q A -1.0221
399 V A 0.4099
400 G A -0.6683
401 Q A -1.5626
402 G A -2.0726
403 Q A -2.2757
404 Q A -2.0812
405 A A -1.6604
406 Q A -2.0473
407 Q A -2.0082
408 P A -1.6387
409 G A -1.5352
410 Q A -1.9419
411 G A -1.9872
412 Q A -2.3028
413 Q A -2.1138
414 P A -1.6634
415 G A -1.5265
416 Q A -1.9582
417 G A -1.7551
418 Q A -1.7857
419 P A -0.9532
420 G A 0.0220
421 Y A 1.4871
422 Y A 1.6920
423 P A 0.6886
424 T A -0.1729
425 S A -0.7243
426 P A -1.1916
427 Q A -1.9975
428 Q A -2.0282
429 S A -1.5632
430 G A -1.5267
431 Q A -1.9468
432 G A -1.8160
433 Q A -1.7933
434 P A -0.9869
435 G A -0.0126
436 Y A 1.8842
437 Y A 2.4507
438 L A 2.3984
439 T A 0.8538
440 S A -0.4474
441 P A -1.0460
442 Q A -2.0738
443 Q A -2.1275
444 S A -1.5567
445 G A -1.6119
446 Q A -1.9492
447 G A -2.0880
448 Q A -2.4426
449 Q A -2.3086
450 P A -1.7889
451 G A -1.3829
452 Q A -1.0817
453 L A 0.0309
454 Q A -1.3454
455 Q A -1.5758
456 S A -1.3697
457 A A -1.0534
458 Q A -1.7174
459 G A -2.0662
460 Q A -2.7217
461 K A -2.9388
462 G A -2.4438
463 Q A -2.5017
464 Q A -2.2039
465 P A -1.6204
466 G A -1.5167
467 Q A -2.0194
468 G A -2.1282
469 Q A -2.3430
470 Q A -2.1339
471 P A -1.7297
472 G A -1.5345
473 Q A -2.0396
474 G A -2.2233
475 Q A -2.4367
476 Q A -2.4392
477 G A -2.3224
478 Q A -2.3438
479 Q A -2.1334
480 P A -1.7057
481 G A -1.5665
482 Q A -2.1111
483 G A -2.0508
484 Q A -2.6213
485 Q A -2.7115
486 G A -2.1101
487 Q A -2.4772
488 Q A -2.4004
489 P A -1.7603
490 G A -1.6620
491 Q A -2.1703
492 G A -1.9485
493 Q A -1.8483
494 P A -1.0821
495 G A 0.0506
496 Y A 1.4715
497 Y A 1.7091
498 P A 0.7495
499 T A 0.0733
500 S A -0.8387
501 P A -1.1917
502 Q A -2.0052
503 Q A -2.0618
504 S A -1.5400
505 G A -1.4838
506 Q A -1.9600
507 G A -1.9418
508 Q A -2.3116
509 Q A -2.2057
510 P A -1.5478
511 G A -1.2916
512 Q A -1.4404
513 W A -0.4297
514 Q A -1.5992
515 Q A -1.8744
516 P A -1.4593
517 G A -1.6880
518 Q A -1.9473
519 G A -1.8186
520 Q A -1.8042
521 P A -0.9851
522 G A -0.0910
523 Y A 1.4884
524 Y A 1.8815
525 P A 1.2697
526 T A 1.0786
527 S A 0.8079
528 P A 0.3035
529 L A 0.7446
530 Q A -0.7611
531 P A -1.0387
532 G A -1.5641
533 Q A -2.0006
534 G A -1.9629
535 Q A -1.9792
536 P A -1.3254
537 G A -0.6996
538 Y A -0.0171
539 D A -1.3177
540 P A -0.9566
541 T A -0.6893
542 S A -0.6620
543 P A -1.2430
544 Q A -1.9920
545 Q A -2.0632
546 P A -1.6365
547 G A -1.5181
548 Q A -1.9978
549 G A -2.0557
550 Q A -2.3243
551 Q A -2.2478
552 P A -1.6848
553 G A -1.2384
554 Q A -1.1493
555 L A -0.0143
556 Q A -1.2655
557 Q A -1.5421
558 P A -1.3393
559 A A -1.0387
560 Q A -1.6946
561 G A -1.9425
562 Q A -2.3773
563 Q A -2.4220
564 G A -2.2191
565 Q A -1.9772
566 Q A -1.0078
567 L A 0.4418
568 A A -0.1247
569 Q A -1.4068
570 G A -1.9683
571 Q A -2.5310
572 Q A -2.4112
573 G A -2.1461
574 Q A -2.4386
575 Q A -2.0103
576 P A -1.4144
577 A A -0.5899
578 Q A -0.6287
579 V A 0.2703
580 Q A -1.1386
581 Q A -1.8368
582 G A -2.2826
583 Q A -2.6008
584 R A -2.7442
585 P A -1.6255
586 A A -1.2075
587 Q A -2.0599
588 G A -1.9691
589 Q A -2.4063
590 Q A -2.6162
591 G A -2.1020
592 Q A -2.3712
593 Q A -2.2376
594 P A -1.6525
595 G A -1.7140
596 Q A -2.0135
597 G A -2.1715
598 Q A -2.4770
599 Q A -2.4453
600 G A -2.2657
601 Q A -1.9508
602 Q A -1.2059
603 L A 0.1743
604 G A -0.7100
605 Q A -1.6155
606 G A -1.9442
607 Q A -2.3799
608 Q A -2.5256
609 G A -2.2987
610 Q A -2.3234
611 Q A -2.3719
612 P A -1.6904
613 G A -1.6579
614 Q A -2.3175
615 G A -2.2633
616 Q A -2.6925
617 Q A -2.6826
618 G A -2.4009
619 Q A -2.5308
620 Q A -2.3612
621 P A -1.5417
622 A A -1.3645
623 Q A -2.1134
624 G A -1.9094
625 Q A -2.5840
626 Q A -2.7228
627 G A -2.3499
628 Q A -2.5585
629 Q A -2.4993
630 P A -1.7069
631 G A -1.9764
632 Q A -2.3353
633 G A -2.2224
634 Q A -2.5360
635 Q A -2.5863
636 G A -2.3142
637 Q A -2.3266
638 Q A -2.1220
639 P A -1.6572
640 G A -1.5345
641 Q A -1.9990
642 G A -2.0689
643 Q A -2.3624
644 Q A -2.3397
645 G A -2.0963
646 Q A -2.3491
647 Q A -2.1685
648 P A -1.6803
649 G A -1.5702
650 Q A -1.9881
651 G A -2.0514
652 Q A -2.3496
653 Q A -2.1113
654 P A -1.6868
655 G A -1.6261
656 Q A -1.9874
657 G A -1.7050
658 Q A -1.3416
659 P A -0.0299
660 W A 1.6661
661 Y A 2.3692
662 Y A 2.0652
663 P A 0.8679
664 T A -0.2146
665 S A -0.7102
666 P A -1.3482
667 Q A -2.4814
668 E A -2.7647
669 S A -1.9714
670 G A -1.8121
671 Q A -2.0163
672 G A -2.1452
673 Q A -2.3659
674 Q A -2.1171
675 P A -1.6782
676 G A -1.2405
677 Q A -1.1430
678 W A -0.3535
679 Q A -1.5407
680 Q A -1.7740
681 P A -1.5021
682 G A -1.5055
683 Q A -1.9906
684 G A -1.8662
685 Q A -1.8828
686 P A -0.8898
687 G A 0.1056
688 Y A 2.0827
689 Y A 2.7352
690 L A 2.4978
691 T A 0.7366
692 S A 0.2376
693 P A 0.1348
694 L A 0.9478
695 Q A -0.0225
696 L A 0.6979
697 G A -0.6346
698 Q A -1.6657
699 G A -2.0647
700 Q A -2.4030
701 Q A -1.9016
702 G A -0.5384
703 Y A 1.4828
704 Y A 1.7609
705 P A 0.7315
706 T A 0.2053
707 S A 0.1098
708 L A 0.5899
709 Q A -1.1642
710 Q A -1.7411
711 P A -1.6363
712 G A -1.5797
713 Q A -1.9967
714 G A -2.0863
715 Q A -2.3748
716 Q A -2.1705
717 P A -1.6624
718 G A -1.2428
719 Q A -1.2029
720 W A -0.4373
721 Q A -1.4822
722 Q A -1.8829
723 S A -1.5111
724 G A -1.5660
725 Q A -2.1031
726 G A -2.0070
727 Q A -1.9951
728 H A -0.9104
729 W A 1.4872
730 Y A 2.3418
731 Y A 2.0548
732 P A 0.6428
733 T A -0.0800
734 S A -0.5510
735 P A -0.6916
736 Q A -0.6710
737 L A 0.5471
738 S A -0.2804
739 G A -1.0959
740 Q A -1.8101
741 G A -2.1325
742 Q A -2.8145
743 R A -3.0054
744 P A -1.9996
745 G A -1.4906
746 Q A -0.8445
747 W A 1.0146
748 L A 1.2041
749 Q A -0.3231
750 P A -0.9472
751 G A -1.4945
752 Q A -1.9594
753 G A -2.0044
754 Q A -2.3615
755 Q A -1.8162
756 G A -0.4683
757 Y A 1.4099
758 Y A 1.7138
759 P A 0.5183
760 T A -0.2448
761 S A -0.8420
762 P A -1.3383
763 Q A -2.0218
764 Q A -2.0791
765 P A -1.6253
766 G A -1.6661
767 Q A -2.1050
768 G A -1.9785
769 Q A -2.1105
770 Q A -1.4469
771 L A 0.2773
772 G A -0.3952
773 Q A -0.2016
774 W A 1.2018
775 L A 1.2040
776 Q A -0.2770
777 P A -0.9229
778 G A -1.5224
779 Q A -1.9952
780 G A -2.0781
781 Q A -2.4249
782 Q A -1.9204
783 G A -0.5514
784 Y A 1.4304
785 Y A 1.7248
786 P A 0.7124
787 T A 0.3287
788 S A 0.0773
789 L A 0.5777
790 Q A -1.1450
791 Q A -1.6283
792 T A -1.4891
793 G A -1.7156
794 Q A -1.9416
795 G A -2.0403
796 Q A -2.3939
797 Q A -2.1098
798 S A -1.6245
799 G A -1.6659
800 Q A -2.1000
801 G A -2.0609
802 Q A -2.4535
803 Q A -1.9392
804 G A -0.4279
805 Y A 1.3869
806 Y A 1.8305
807 S A 0.7861
808 S A 0.7391
809 Y A 1.2818
810 H A 0.5917
811 V A 1.2870
812 S A 0.3383
813 V A 0.3935
814 E A -1.4591
815 H A -1.3483
816 Q A -1.3130
817 A A -0.8754
818 A A -0.8005
819 S A -0.7177
820 L A -0.1370
821 K A -1.2973
822 V A -0.0265
823 A A -0.7263
824 K A -1.8676
825 A A -0.9673
826 Q A -1.6351
827 Q A -1.4583
828 L A 0.3091
829 A A -0.1245
830 A A -0.2921
831 Q A -0.0611
832 L A 1.4102
833 P A 0.4345
834 A A 0.5360
835 M A 1.1555
836 C A 0.5318
837 R A -0.9265
838 L A -0.1959
839 E A -1.9564
840 G A -1.8819
841 G A -1.7855
842 D A -1.8662
843 A A -0.4947
844 L A 0.9514
845 S A 0.0703
846 A A -0.0860
847 S A -0.6185
848 Q A -1.3129
Download PDB file
View in 3Dmol