Project name: Pdx1yMafa

Status: done

Started: 2026-04-07 16:04:28
Chain sequence(s) A: MKIEEGKLVIWINGDKGYNGLAEVGKKFEKDTGIKVTVEHPDKLEEKFPQVAAATGDGPDIIFWAHDRFGGYAQSGLLAEITPDKAFQDKLYPFTWDAVRYNGKLIAYPIAVEALSLIYNKDLLPNPPKTWEEIPALDKELKAKGKSALMFNLQEPYFTWPLIAADGGYAFKYENGKYDIKDVGVDNAGAKAGLTFLVDLIKNKHMNADTDYSIAEAAFNKGETAMTINGPWAWSNIDTSKVNYGVTVLPTFKGQPSKPFVGVLSAGINAASPNKELAKEFLENYLLTDEGLEAVNKDKPLGAVALKSYEEELAKDPRIAATMENAQKGEIMPNIPQMSAFWYAVRTAVINAASGRQTVDEALKDAGSGSRMKQLEDKVEELLSKNYHLENEVARLKKLVGERYGRKKRRQRRRPKKKRKVAAAAAEAAAKEAAAKEAAAKMAAAQDLSAAAATALAPAAAPLPACPAPAAASAAALVPEQLSALAAALSLPGLNAAALPAAPSSAAPVAMATAYAPAAAPLSATPAAPEAAAKEAAAKEAAAKNREEENKRTHTAYTRHQLLELEKEFHFNRYLTRRRRIEIAHALCLTERQIKIWFQNRRMKWKKEHKLLASGLTGAEGDLHAAGLGPGAFGPAPVHVRPGPQAAAAA
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]                                                (00:00:01)
[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]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:10)
Show buried residues

Minimal score value
-7.3802
Maximal score value
2.3742
Average score
-1.1523
Total score value
-748.9896

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 0.1073
2 K A -1.6998
3 I A -1.6962
4 E A -2.8475
5 E A -3.0974
6 G A -2.1128
7 K A -2.4576
8 L A 0.0000
9 V A -0.4164
10 I A 0.0000
11 W A 0.0000
12 I A 0.0000
13 N A -1.7094
14 G A -2.0836
15 D A -2.5856
16 K A -1.9797
17 G A 0.0000
18 Y A -1.4390
19 N A -2.1628
20 G A 0.0000
21 L A 0.0000
22 A A -1.6662
23 E A -2.8872
24 V A 0.0000
25 G A 0.0000
26 K A -4.3208
27 K A -4.3226
28 F A 0.0000
29 E A -4.1973
30 K A -4.3206
31 D A -3.6090
32 T A -2.3970
33 G A -2.5329
34 I A -2.2531
35 K A -2.7925
36 V A -1.7093
37 T A -0.6245
38 V A -0.3945
39 E A -0.7693
40 H A -1.6174
41 P A -1.6460
42 D A -2.5586
43 K A -1.8529
44 L A 0.0000
45 E A -1.6203
46 E A -1.8637
47 K A -1.7984
48 F A 0.0000
49 P A -1.0087
50 Q A -1.3946
51 V A -0.5124
52 A A 0.0000
53 A A -0.4255
54 A A -0.2184
55 T A -0.3524
56 G A -0.4372
57 D A -0.7430
58 G A 0.0000
59 P A 0.0000
60 D A 0.0000
61 I A 0.0000
62 I A 0.0000
63 F A 0.0000
64 W A -0.2742
65 A A -0.4555
66 H A 0.0000
67 D A -0.9017
68 R A -1.6390
69 F A 0.0000
70 G A 0.0000
71 G A -1.1465
72 Y A 0.0000
73 A A -1.6210
74 Q A -1.6023
75 S A -1.0459
76 G A -1.1518
77 L A 0.0000
78 L A 0.0000
79 A A -1.2421
80 E A -2.3615
81 I A 0.0000
82 T A -1.4793
83 P A 0.0000
84 D A -2.9093
85 K A -3.3330
86 A A -2.3563
87 F A 0.0000
88 Q A -2.6891
89 D A -3.4261
90 K A -2.8744
91 L A 0.0000
92 Y A -0.9953
93 P A -0.9508
94 F A -0.5263
95 T A 0.0000
96 W A 0.0000
97 D A -1.8528
98 A A 0.0000
99 V A 0.0000
100 R A -2.4117
101 Y A -2.2867
102 N A -2.7627
103 G A -2.6538
104 K A -3.0097
105 L A 0.0000
106 I A 0.0000
107 A A 0.0000
108 Y A 0.0000
109 P A 0.0000
110 I A 0.0000
111 A A 0.0000
112 V A 0.0000
113 E A -0.2848
114 A A 0.0000
115 L A 0.0000
116 S A 0.0000
117 L A 0.0000
118 I A 0.0000
119 Y A -0.6104
120 N A 0.0000
121 K A -2.1764
122 D A -2.4318
123 L A -1.5282
124 L A 0.0000
125 P A -1.5443
126 N A -1.9220
127 P A -1.2871
128 P A 0.0000
129 K A -2.2899
130 T A -2.1221
131 W A 0.0000
132 E A -2.2918
133 E A -2.1163
134 I A 0.0000
135 P A -1.6803
136 A A -1.4520
137 L A -1.5817
138 D A 0.0000
139 K A -3.3758
140 E A -3.3596
141 L A 0.0000
142 K A -3.2536
143 A A -2.5449
144 K A -3.1223
145 G A -2.5643
146 K A -2.5576
147 S A -1.7230
148 A A 0.0000
149 L A 0.0000
150 M A -0.1195
151 F A 0.0000
152 N A 0.0000
153 L A 0.0000
154 Q A -1.4269
155 E A -1.3967
156 P A 0.0000
157 Y A -0.2744
158 F A 0.0000
159 T A 0.0000
160 W A 0.0000
161 P A 0.0000
162 L A 0.0000
163 I A 0.0000
164 A A 0.0000
165 A A 0.0000
166 D A -1.5546
167 G A -0.8785
168 G A 0.0000
169 Y A -0.1372
170 A A 0.0000
171 F A 0.0000
172 K A -1.5422
173 Y A -1.2104
174 E A -2.8725
175 N A -2.9077
176 G A -2.8985
177 K A -3.0341
178 Y A -1.8425
179 D A -2.3006
180 I A -1.1116
181 K A -2.3634
182 D A -1.6243
183 V A -0.8174
184 G A 0.0000
185 V A 0.0000
186 D A -2.2266
187 N A -1.2816
188 A A -0.7722
189 G A 0.0000
190 A A 0.0000
191 K A -1.3604
192 A A -0.7126
193 G A 0.0000
194 L A 0.0000
195 T A -0.4429
196 F A -0.3919
197 L A 0.0000
198 V A 0.0000
199 D A -1.9320
200 L A 0.0000
201 I A -2.5481
202 K A -3.3314
203 N A -3.2845
204 K A -3.4352
205 H A -2.3265
206 M A 0.0000
207 N A -2.6582
208 A A -2.0581
209 D A -2.1819
210 T A 0.0000
211 D A -1.0954
212 Y A -0.1451
213 S A 0.2680
214 I A 0.6967
215 A A 0.0000
216 E A -0.4522
217 A A -0.6143
218 A A 0.0000
219 F A 0.0000
220 N A -2.1788
221 K A -2.5027
222 G A -2.2111
223 E A -2.4715
224 T A 0.0000
225 A A 0.0000
226 M A 0.0000
227 T A 0.0000
228 I A 0.0000
229 N A 0.0000
230 G A 0.0000
231 P A 0.0324
232 W A 0.0932
233 A A 0.0000
234 W A 0.0000
235 S A -1.4039
236 N A -1.9353
237 I A 0.0000
238 D A -2.7779
239 T A -1.8510
240 S A -2.2252
241 K A -2.8987
242 V A -2.4384
243 N A -2.3719
244 Y A -1.4627
245 G A 0.0000
246 V A 0.0000
247 T A -0.2255
248 V A -0.1979
249 L A 0.0000
250 P A 0.0000
251 T A -1.6063
252 F A 0.0000
253 K A -2.5304
254 G A -2.1349
255 Q A -2.0245
256 P A -1.4779
257 S A 0.0000
258 K A -1.3157
259 P A 0.0000
260 F A 0.0000
261 V A 0.0000
262 G A -0.1968
263 V A 0.0000
264 L A 0.0000
265 S A 0.0000
266 A A 0.0000
267 G A 0.0000
268 I A 0.0000
269 N A 0.0000
270 A A -0.5743
271 A A -0.2495
272 S A 0.0000
273 P A -1.5515
274 N A 0.0000
275 K A -2.2581
276 E A -2.5172
277 L A -1.6849
278 A A 0.0000
279 K A -2.0310
280 E A -2.0595
281 F A 0.0000
282 L A 0.0000
283 E A -1.2493
284 N A -1.6656
285 Y A -1.4220
286 L A 0.0000
287 L A 0.0000
288 T A -1.5663
289 D A -1.9305
290 E A -2.3782
291 G A 0.0000
292 L A 0.0000
293 E A -2.5451
294 A A -2.3652
295 V A 0.0000
296 N A -2.3369
297 K A -2.8394
298 D A -2.8331
299 K A -2.8463
300 P A -1.7968
301 L A 0.0000
302 G A 0.0000
303 A A 0.0000
304 V A 0.0000
305 A A 0.0000
306 L A 0.0000
307 K A -1.9713
308 S A -1.7073
309 Y A 0.0000
310 E A 0.0000
311 E A -3.1194
312 E A -3.1855
313 L A -2.0897
314 A A -2.1058
315 K A -2.7715
316 D A -1.8636
317 P A -1.1132
318 R A -0.9721
319 I A 0.0000
320 A A -1.0443
321 A A 0.0000
322 T A 0.0000
323 M A 0.0000
324 E A -1.4440
325 N A 0.0000
326 A A 0.0000
327 Q A -1.9950
328 K A -2.0308
329 G A -1.4350
330 E A -0.6965
331 I A -0.5049
332 M A 0.0000
333 P A 0.0000
334 N A 0.0000
335 I A -0.5563
336 P A -0.6910
337 Q A -0.1364
338 M A 0.0000
339 S A 0.0148
340 A A 0.0000
341 F A 0.0000
342 W A 0.1503
343 Y A 0.3066
344 A A 0.0000
345 V A 0.0000
346 R A -0.6691
347 T A -0.4408
348 A A 0.0000
349 V A 0.0000
350 I A -0.8521
351 N A -1.2616
352 A A 0.0000
353 A A -1.2830
354 S A -1.6040
355 G A -1.7059
356 R A -2.4495
357 Q A -2.2975
358 T A -2.0376
359 V A -2.2066
360 D A -3.5783
361 E A -3.9345
362 A A 0.0000
363 L A 0.0000
364 K A -3.9362
365 D A -3.5109
366 A A 0.0000
367 G A -2.2275
368 S A -2.1921
369 G A -2.3859
370 S A -2.3848
371 R A -2.9051
372 M A 0.0000
373 K A -3.9860
374 Q A -3.7951
375 L A -2.7014
376 E A -3.3173
377 D A -4.2541
378 K A -3.5101
379 V A -1.5411
380 E A -2.8511
381 E A -2.5155
382 L A -0.8418
383 L A -0.0805
384 S A -1.0422
385 K A -1.7695
386 N A -1.1399
387 Y A -0.4829
388 H A -1.6567
389 L A -0.9041
390 E A -2.2667
391 N A -2.7652
392 E A -2.8160
393 V A -1.2523
394 A A -2.0796
395 R A -3.0886
396 L A -1.3225
397 K A -2.4819
398 K A -2.8820
399 L A -1.4142
400 V A -0.4201
401 G A -2.0847
402 E A -3.3979
403 R A -3.5802
404 Y A -2.3906
405 G A -3.8841
406 R A -5.8847
407 K A -6.1552
408 K A -6.3134
409 R A -7.1113
410 R A -7.3802
411 Q A -6.4709
412 R A -6.7610
413 R A -6.5275
414 R A -6.2605
415 P A -4.5729
416 K A -4.8477
417 K A -4.2452
418 K A -3.9788
419 R A -4.4595
420 K A -3.5455
421 V A -1.0850
422 A A -1.2200
423 A A -1.6867
424 A A -1.2755
425 A A -0.9196
426 A A -1.2649
427 E A -2.4201
428 A A -1.6378
429 A A -1.5938
430 A A -2.0776
431 K A -3.4357
432 E A -3.5447
433 A A -2.5969
434 A A -2.6284
435 A A -2.5040
436 K A -3.3704
437 E A -3.3311
438 A A -1.9786
439 A A -1.4905
440 A A -1.6475
441 K A -2.2550
442 M A -0.5789
443 A A -0.9599
444 A A -0.9772
445 A A -0.6622
446 Q A -1.5004
447 D A -1.6446
448 L A 0.4321
449 S A -0.0800
450 A A -0.0818
451 A A 0.2340
452 A A 0.0893
453 A A 0.0759
454 T A 0.3125
455 A A 0.8366
456 L A 1.5436
457 A A 0.6995
458 P A 0.1004
459 A A -0.0107
460 A A 0.0178
461 A A 0.2778
462 P A 0.4556
463 L A 1.3179
464 P A 0.6943
465 A A 0.5599
466 C A 0.5860
467 P A 0.1244
468 A A -0.0275
469 P A -0.2380
470 A A -0.0138
471 A A 0.0255
472 A A 0.0045
473 S A -0.1321
474 A A 0.0047
475 A A 0.3698
476 A A 1.2006
477 L A 2.3742
478 V A 2.0188
479 P A -0.1825
480 E A -1.8774
481 Q A -1.4099
482 L A 0.4966
483 S A 0.6862
484 A A 1.0802
485 L A 1.5836
486 A A 0.9145
487 A A 0.7906
488 A A 1.1872
489 L A 1.7969
490 S A 1.2788
491 L A 1.5571
492 P A 0.5533
493 G A 0.2274
494 L A 0.6339
495 N A -0.5482
496 A A -0.2422
497 A A 0.1692
498 A A 0.8127
499 L A 1.4704
500 P A 0.5783
501 A A 0.2089
502 A A -0.1229
503 P A -0.3612
504 S A -0.4213
505 S A -0.3275
506 A A -0.1235
507 A A 0.2866
508 P A 0.7144
509 V A 1.9093
510 A A 1.4942
511 M A 1.4777
512 A A 0.6013
513 T A 0.4896
514 A A 0.7170
515 Y A 1.3044
516 A A 0.5824
517 P A 0.0942
518 A A -0.0132
519 A A 0.0128
520 A A 0.2787
521 P A 0.4979
522 L A 1.3375
523 S A 0.5364
524 A A 0.1824
525 T A -0.1887
526 P A -0.4904
527 A A -0.6599
528 A A -0.5936
529 P A -1.5071
530 E A -2.6771
531 A A -2.0143
532 A A -1.9110
533 A A -2.4242
534 K A -3.5362
535 E A -3.6098
536 A A -2.6387
537 A A -2.6722
538 A A -2.8173
539 K A -3.8562
540 E A -4.1084
541 A A -3.4071
542 A A -3.5560
543 A A -3.9848
544 K A -5.3394
545 N A -5.6766
546 R A -6.0598
547 E A -6.1961
548 E A -6.3671
549 E A -6.2700
550 N A -5.9105
551 K A -5.2767
552 R A -4.0156
553 T A -2.8018
554 H A -2.1382
555 T A -0.9312
556 A A -0.3275
557 Y A -0.1924
558 T A -0.8580
559 R A -1.7721
560 H A -1.4280
561 Q A -0.6440
562 L A -0.1337
563 L A 0.0551
564 E A -1.0542
565 L A 0.0000
566 E A -1.2659
567 K A -1.3356
568 E A -0.6799
569 F A 0.0000
570 H A -0.9507
571 F A 0.8276
572 N A 0.0360
573 R A -0.5004
574 Y A 0.2287
575 L A -0.5156
576 T A -1.3263
577 R A -2.6628
578 R A -2.0864
579 R A -1.9137
580 R A -2.3225
581 I A -1.7968
582 E A -1.5455
583 I A 0.0000
584 A A 0.0000
585 H A -1.0241
586 A A -0.3571
587 L A 0.0000
588 C A 0.2572
589 L A -0.3602
590 T A -1.3378
591 E A -2.7267
592 R A -2.8452
593 Q A -1.8486
594 I A 0.0000
595 K A -2.9336
596 I A -1.6908
597 W A 0.0000
598 F A 0.0000
599 Q A -2.1087
600 N A -2.3356
601 R A -2.3442
602 R A -1.9105
603 M A -1.8813
604 K A -3.3096
605 W A -2.5164
606 K A -2.8495
607 K A -3.1014
608 E A -2.0956
609 H A -1.7109
610 K A -1.9846
611 L A 0.3489
612 L A 0.9679
613 A A 0.1265
614 S A 0.1053
615 G A 0.7563
616 L A 1.4826
617 T A 0.0786
618 G A -0.7970
619 A A -1.0647
620 E A -2.5288
621 G A -2.1342
622 D A -1.9251
623 L A 0.1213
624 H A -0.7695
625 A A -0.1799
626 A A 0.1410
627 G A 0.2755
628 L A 1.0425
629 G A -0.0266
630 P A -0.4086
631 G A -0.2591
632 A A 0.6490
633 F A 1.5929
634 G A 0.3649
635 P A -0.1113
636 A A 0.0481
637 P A 0.3669
638 V A 1.5186
639 H A 0.3900
640 V A 0.6781
641 R A -1.4442
642 P A -1.1721
643 G A -1.3805
644 P A -1.1129
645 Q A -1.3768
646 A A -0.5769
647 A A -0.1216
648 A A 0.1425
649 A A 0.1195
650 A A -0.2241
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