Project name: 4c84f1028a25cf2

Status: done

Started: 2025-02-21 06:46:59
Chain sequence(s) A: MSSSSSSSTSMIDLMAAIIKGEPVIVSDPANASAYESVAAELSSMLIENRQFAMIVTTSIAVLIGCIVMLVWRRSGSGNSKRVEPLKPLVIKPREEEIDDGRKKVTIFFGTQTGTAEGFAKALGEEAKARYEKTRFKIVDLDDYAADDDEYEEKLKKEDVAFFFLATYGDGEPTDNAARFYKWFTEGNDRGEWLKNLKYGVFGLGNRQYEHFNKVAKVVDDILVEQGAQRLVQVGLGDDDQCIEDDFTAWREALWPELDTILREEGDTAVATPYTAAVLEYRVSIHDSEDAKFNDINMANGNGYTVFDAQHPYKANVAVKRELHTPESDRSCIHLEFDIAGSGLTYETGDHVGVLCDNLSETVDEALRLLDMSPDTYFSLHAEKEDGTPISSSLPPPFPPCNLRTALTRYACLLSSPKKSALVALAAHASDPTEAERLKHLASPAGKDEYSKWVVESQRSLLEVMAEFPSAKPPLGVFFAGVAPRLQPRFYSISSSPKIAETRIHVTCALVYEKMPTGRIHKGVCSTWMKNAVPYEKSENCSSAPIFVRQSNFKLPSDSKVPIIMIGPGTGLAPFRGFLQERLALVESGVELGPSVLFFGCRNRRMDFIYEEELQRFVESGALAELSVAFSREGPTKEYVQHKMMDKASDIWNMISQGAYLYVCGDAKGMARDVHRSLHTIAQEQGSMDSTKAEGFVKNLQTSGRYLRDVW
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.                                          (00:00:07)
Show buried residues

Minimal score value
-4.2108
Maximal score value
5.6889
Average score
-0.771
Total score value
-548.1537

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 0.8692
2 S A 0.1078
3 S A -0.2190
4 S A -0.4404
5 S A -0.5869
6 S A -0.5922
7 S A -0.5687
8 S A -0.3382
9 T A 0.3325
10 S A 0.6305
11 M A 1.8171
12 I A 2.2072
13 D A 0.4756
14 L A 1.3829
15 M A 2.1987
16 A A 0.8374
17 A A 0.3726
18 I A 1.1614
19 I A 1.2270
20 K A -1.1734
21 G A -1.3164
22 E A -1.7052
23 P A -0.4393
24 V A 1.3396
25 I A 2.2565
26 V A 1.0197
27 S A -0.3657
28 D A -1.8481
29 P A -1.3963
30 A A -1.1798
31 N A -1.6643
32 A A -0.6678
33 S A -0.6291
34 A A -0.0041
35 Y A 0.6586
36 E A -0.9555
37 S A -0.2526
38 V A 1.0206
39 A A 0.5840
40 A A -0.1498
41 E A -0.4168
42 L A 1.1864
43 S A 1.1233
44 S A 0.4711
45 M A 0.9568
46 L A 1.1844
47 I A 1.1864
48 E A -1.2827
49 N A -1.5195
50 R A -1.6152
51 Q A -0.7123
52 F A 1.9422
53 A A 1.4416
54 M A 1.8018
55 I A 3.2201
56 V A 2.8324
57 T A 2.3689
58 T A 2.3012
59 S A 2.8850
60 I A 3.8834
61 A A 2.9814
62 V A 4.1706
63 L A 4.9488
64 I A 5.2806
65 G A 4.0477
66 C A 4.9441
67 I A 5.6889
68 V A 5.2101
69 M A 4.0270
70 L A 3.6982
71 V A 3.2954
72 W A 2.0327
73 R A -0.5638
74 R A -1.3079
75 S A -0.8479
76 G A -1.5170
77 S A -1.7499
78 G A -1.8068
79 N A -2.4879
80 S A -2.1245
81 K A -2.9014
82 R A -2.6391
83 V A -0.3852
84 E A -1.7352
85 P A -0.3651
86 L A 0.5938
87 K A -0.3933
88 P A 1.0796
89 L A 2.5644
90 V A 2.6856
91 I A 2.1690
92 K A -0.9930
93 P A -1.8935
94 R A -3.7673
95 E A -4.1502
96 E A -3.8255
97 E A -3.1949
98 I A -1.2236
99 D A -2.9410
100 D A -3.0400
101 G A -2.8346
102 R A -3.8834
103 K A -3.4054
104 K A -2.9139
105 V A 0.0000
106 T A 0.0000
107 I A 0.0000
108 F A 0.0000
109 F A 0.0000
110 G A 0.0000
111 T A -0.3679
112 Q A -0.3943
113 T A -0.4625
114 G A -0.5751
115 T A -0.3647
116 A A 0.0000
117 E A -0.5715
118 G A -0.4873
119 F A 0.0000
120 A A 0.0000
121 K A 0.0000
122 A A -0.0954
123 L A 0.0000
124 G A 0.0000
125 E A -0.3248
126 E A 0.0000
127 A A 0.0000
128 K A -1.6651
129 A A -0.8682
130 R A -1.0909
131 Y A 0.0000
132 E A -3.2135
133 K A -3.6897
134 T A 0.0000
135 R A -2.7839
136 F A 0.0000
137 K A -0.8835
138 I A 0.0000
139 V A 0.0000
140 D A -1.1402
141 L A 0.0000
142 D A -1.9309
143 D A -2.5304
144 Y A 0.0000
145 A A 0.0000
146 A A -1.9530
147 D A -3.3881
148 D A -3.4777
149 D A -3.7699
150 E A -3.3506
151 Y A 0.0000
152 E A -3.3642
153 E A -3.9244
154 K A -3.1825
155 L A 0.0000
156 K A -4.2108
157 K A -3.9127
158 E A 0.0000
159 D A -3.4654
160 V A 0.0000
161 A A 0.0000
162 F A 0.0000
163 F A 0.0000
164 F A 0.0000
165 L A 0.0000
166 A A -0.2214
167 T A -0.3286
168 Y A -0.2586
169 G A -0.3727
170 D A -0.8167
171 G A 0.0000
172 E A -0.7322
173 P A -0.6639
174 T A 0.0000
175 D A -0.9689
176 N A 0.0000
177 A A 0.0000
178 A A -0.9589
179 R A -1.6105
180 F A 0.0000
181 Y A -1.0905
182 K A -2.3775
183 W A -2.0606
184 F A 0.0000
185 T A -1.7866
186 E A -2.8423
187 G A -2.4262
188 N A -3.1170
189 D A -3.1193
190 R A -2.4858
191 G A -2.7468
192 E A -3.2637
193 W A -2.3048
194 L A 0.0000
195 K A -3.4964
196 N A -3.6699
197 L A 0.0000
198 K A -2.1833
199 Y A 0.0000
200 G A 0.0000
201 V A 0.0000
202 F A 0.0000
203 G A 0.0000
204 L A 0.0000
205 G A 0.0000
206 N A -2.4918
207 R A -3.0599
208 Q A -2.6972
209 Y A -1.8041
210 E A -1.7424
211 H A -1.2362
212 F A -1.0694
213 N A 0.0000
214 K A -0.7955
215 V A 0.0000
216 A A 0.0000
217 K A -1.0020
218 V A -0.6733
219 V A 0.0000
220 D A 0.0000
221 D A -2.0354
222 I A 0.0000
223 L A 0.0000
224 V A -1.4642
225 E A -2.6452
226 Q A 0.0000
227 G A -2.4536
228 A A 0.0000
229 Q A -2.2929
230 R A -1.5626
231 L A -1.0171
232 V A -0.8980
233 Q A -1.0140
234 V A -0.5106
235 G A 0.0000
236 L A -0.0524
237 G A 0.0000
238 D A 0.0000
239 D A -3.2944
240 D A -3.3978
241 Q A -2.8030
242 C A -1.3553
243 I A -1.3066
244 E A -1.0373
245 D A -1.0558
246 D A -1.0568
247 F A 0.0000
248 T A -0.9524
249 A A -0.9704
250 W A 0.0000
251 R A -1.2011
252 E A -2.0310
253 A A -1.2343
254 L A 0.0000
255 W A 0.0000
256 P A -1.1359
257 E A -1.2833
258 L A 0.0000
259 D A -1.1822
260 T A -0.8424
261 I A -0.6543
262 L A 0.0000
263 R A -2.3743
264 E A -3.0351
265 E A -3.0117
266 G A -2.1285
267 D A -2.2475
268 T A -0.7030
269 A A 0.1680
270 V A 0.9647
271 A A 0.5536
272 T A 0.2674
273 P A 0.0598
274 Y A 0.2452
275 T A 0.1303
276 A A 0.1896
277 A A 0.2191
278 V A 0.3229
279 L A -0.0317
280 E A -0.7314
281 Y A 0.0000
282 R A -1.2319
283 V A 0.3862
284 S A 0.7362
285 I A 1.4464
286 H A -0.9973
287 D A -2.8556
288 S A -2.8117
289 E A -3.5513
290 D A -3.5611
291 A A -2.7744
292 K A -2.4632
293 F A -0.1487
294 N A -1.1115
295 D A -1.4646
296 I A 0.6228
297 N A -0.8927
298 M A -0.1130
299 A A -0.6099
300 N A -1.7091
301 G A -1.9164
302 N A -1.9853
303 G A -1.0463
304 Y A 0.1872
305 T A 0.3016
306 V A 1.3633
307 F A 0.6461
308 D A -0.3548
309 A A -0.9249
310 Q A -1.2637
311 H A -0.9674
312 P A -0.5602
313 Y A -0.7110
314 K A -1.9049
315 A A 0.0000
316 N A -1.2831
317 V A 0.0000
318 A A 0.0000
319 V A -0.6666
320 K A -1.4221
321 R A -2.1242
322 E A -1.7502
323 L A -0.7242
324 H A -1.5616
325 T A -1.6880
326 P A -1.8157
327 E A -2.7360
328 S A -2.4250
329 D A -2.7387
330 R A -1.7792
331 S A -0.7354
332 C A 0.0000
333 I A 0.0000
334 H A 0.0000
335 L A 0.0000
336 E A -0.7014
337 F A 0.0000
338 D A -1.2157
339 I A 0.0000
340 A A -0.9050
341 G A -0.6665
342 S A -0.4700
343 G A -0.2851
344 L A 0.0000
345 T A -0.6809
346 Y A 0.0000
347 E A -2.5421
348 T A 0.0000
349 G A 0.0000
350 D A 0.0000
351 H A 0.0000
352 V A 0.0000
353 G A 0.0000
354 V A 0.0000
355 L A -0.8728
356 C A 0.0000
357 D A -1.0156
358 N A 0.0000
359 L A -0.8766
360 S A -1.5268
361 E A -2.3721
362 T A 0.0000
363 V A 0.0000
364 D A -2.6585
365 E A -2.4594
366 A A 0.0000
367 L A 0.0000
368 R A -2.9299
369 L A 0.0000
370 L A 0.0000
371 D A -2.6303
372 M A -1.5165
373 S A -1.4473
374 P A -1.9148
375 D A -2.1835
376 T A -1.0820
377 Y A 0.0000
378 F A 0.0000
379 S A 0.0000
380 L A 0.0000
381 H A -1.6064
382 A A -1.7368
383 E A -3.4113
384 K A -3.7713
385 E A -3.9317
386 D A -3.6508
387 G A -2.9207
388 T A -2.1528
389 P A -1.8117
390 I A -1.2304
391 S A -0.5959
392 S A 0.0000
393 S A -0.6352
394 L A 0.0000
395 P A -0.6046
396 P A -0.4206
397 P A -0.3650
398 F A 0.0000
399 P A -0.1629
400 P A -0.4286
401 C A 0.0000
402 N A -1.1230
403 L A 0.0000
404 R A -1.7520
405 T A -1.2768
406 A A 0.0000
407 L A 0.0000
408 T A -1.3302
409 R A -2.0028
410 Y A -1.0359
411 A A 0.0000
412 C A -0.4115
413 L A 0.0000
414 L A -0.0851
415 S A -0.1969
416 S A -0.4437
417 P A 0.0000
418 K A -0.6154
419 K A -0.8620
420 S A -0.4696
421 A A 0.0000
422 L A 0.0000
423 V A -0.4577
424 A A 0.0000
425 L A 0.0000
426 A A 0.0000
427 A A -0.5197
428 H A -0.7958
429 A A -1.1676
430 S A -1.0140
431 D A -1.4192
432 P A -1.4161
433 T A -1.5279
434 E A -2.0248
435 A A -1.9733
436 E A -2.9762
437 R A -2.2899
438 L A 0.0000
439 K A -2.4308
440 H A -2.0373
441 L A 0.0000
442 A A -1.3253
443 S A -1.1977
444 P A -1.0650
445 A A -0.9782
446 G A 0.0000
447 K A -2.3752
448 D A -2.8435
449 E A -2.3695
450 Y A 0.0000
451 S A -1.9425
452 K A -2.8520
453 W A -1.4898
454 V A 0.0000
455 V A -0.5967
456 E A -2.1709
457 S A -1.4947
458 Q A -1.6726
459 R A -1.1162
460 S A 0.0000
461 L A 0.0000
462 L A 0.0000
463 E A -1.0680
464 V A 0.0000
465 M A 0.0000
466 A A -1.3220
467 E A -1.9960
468 F A 0.0000
469 P A -1.3557
470 S A -1.1727
471 A A 0.0000
472 K A -1.6907
473 P A 0.0000
474 P A -0.5346
475 L A 0.0000
476 G A 0.0000
477 V A 0.0000
478 F A 0.0000
479 F A 0.0000
480 A A -0.4313
481 G A -0.2076
482 V A 0.0000
483 A A 0.0000
484 P A -0.6345
485 R A -1.1033
486 L A 0.0000
487 Q A -1.1451
488 P A -1.0357
489 R A -1.4843
490 F A 0.0000
491 Y A -0.1176
492 S A 0.0000
493 I A 0.0000
494 S A 0.0000
495 S A 0.0000
496 S A 0.0000
497 P A -1.8649
498 K A -1.7855
499 I A 0.0072
500 A A -0.9275
501 E A -2.3885
502 T A -1.4513
503 R A -1.0618
504 I A 0.0000
505 H A 0.0000
506 V A 0.0000
507 T A 0.0000
508 C A 0.0000
509 A A 0.2507
510 L A 0.6264
511 V A 1.1493
512 Y A 0.5479
513 E A -1.6726
514 K A -2.3334
515 M A 0.0000
516 P A -1.4449
517 T A -0.9926
518 G A -1.1135
519 R A -1.0907
520 I A -0.3275
521 H A -0.6027
522 K A 0.0397
523 G A 0.5432
524 V A 0.2902
525 C A 0.0000
526 S A 0.0000
527 T A 0.0000
528 W A -0.3894
529 M A 0.0000
530 K A -1.2110
531 N A -1.3138
532 A A 0.0000
533 V A -0.4044
534 P A 0.0000
535 Y A -0.9241
536 E A -2.1530
537 K A -2.4907
538 S A -2.0418
539 E A -2.6702
540 N A -2.0446
541 C A -1.1154
542 S A -0.3720
543 S A -0.7397
544 A A 0.0000
545 P A -0.9021
546 I A 0.0000
547 F A 0.0000
548 V A -0.2937
549 R A 0.0000
550 Q A -1.8356
551 S A -1.6127
552 N A -1.7178
553 F A 0.0000
554 K A -1.0206
555 L A -0.3332
556 P A -0.8446
557 S A -1.2190
558 D A -2.2118
559 S A -1.7438
560 K A -2.4118
561 V A -1.1781
562 P A 0.0000
563 I A 0.0000
564 I A 0.0000
565 M A 0.0000
566 I A 0.0000
567 G A 0.0000
568 P A -0.1899
569 G A -0.4008
570 T A -0.2998
571 G A 0.0000
572 L A 0.0000
573 A A 0.0000
574 P A 0.0000
575 F A 0.0000
576 R A 0.0000
577 G A 0.0000
578 F A 0.0000
579 L A 0.0000
580 Q A 0.0000
581 E A -0.3647
582 R A 0.0000
583 L A -0.2926
584 A A -0.4473
585 L A -0.4714
586 V A -0.6073
587 E A -1.7576
588 S A -1.0013
589 G A -0.9237
590 V A -0.6096
591 E A -1.9439
592 L A -1.2403
593 G A 0.0000
594 P A -0.6978
595 S A 0.0000
596 V A -0.2308
597 L A 0.0000
598 F A 0.0000
599 F A 0.0000
600 G A 0.0000
601 C A -0.6950
602 R A -1.9415
603 N A -2.4432
604 R A -3.1628
605 R A -3.0622
606 M A -2.1087
607 D A 0.0000
608 F A -1.2949
609 I A 0.0000
610 Y A -1.0152
611 E A -2.5528
612 E A -3.1095
613 E A -2.3787
614 L A 0.0000
615 Q A -3.0029
616 R A -3.4388
617 F A 0.0000
618 V A -1.4941
619 E A -2.6831
620 S A -1.6916
621 G A -1.3709
622 A A 0.0000
623 L A 0.0000
624 A A -0.5153
625 E A -0.8573
626 L A -0.0315
627 S A 0.0000
628 V A 0.1099
629 A A 0.0000
630 F A -1.4648
631 S A -2.1671
632 R A -3.3121
633 E A -3.0625
634 G A -2.0495
635 P A -1.4610
636 T A -1.6719
637 K A -2.6968
638 E A -1.7123
639 Y A -0.3917
640 V A 0.0000
641 Q A -1.1149
642 H A -1.2998
643 K A -1.0955
644 M A 0.0000
645 M A -1.2025
646 D A -2.3006
647 K A -1.8285
648 A A 0.0000
649 S A -1.9647
650 D A -2.5760
651 I A 0.0000
652 W A -1.6567
653 N A -2.2598
654 M A 0.0000
655 I A 0.0000
656 S A -1.4077
657 Q A -1.5622
658 G A -0.8533
659 A A 0.0000
660 Y A 0.0155
661 L A 0.0000
662 Y A 0.0000
663 V A 0.0000
664 C A 0.0000
665 G A -0.8968
666 D A -2.1843
667 A A 0.0000
668 K A -2.7111
669 G A -2.0172
670 M A -1.7620
671 A A 0.0000
672 R A -3.3201
673 D A -2.2767
674 V A 0.0000
675 H A -1.9087
676 R A -2.8199
677 S A 0.0000
678 L A 0.0000
679 H A -2.1194
680 T A -1.6559
681 I A 0.0000
682 A A 0.0000
683 Q A -2.4566
684 E A -2.5275
685 Q A -1.9008
686 G A -1.5300
687 S A -1.5822
688 M A -2.1098
689 D A -2.7314
690 S A -2.0789
691 T A -2.1461
692 K A -3.1168
693 A A 0.0000
694 E A -3.5641
695 G A -2.5878
696 F A -1.9072
697 V A 0.0000
698 K A -3.0020
699 N A -2.3669
700 L A 0.0000
701 Q A 0.0000
702 T A -1.1779
703 S A -0.9542
704 G A -0.9378
705 R A -0.7179
706 Y A 0.0000
707 L A -0.2728
708 R A 0.0000
709 D A 0.0000
710 V A 0.0000
711 W A -0.1495
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