Project name: bce70376b08e5a3

Status: done

Started: 2026-05-07 14:19:27
Settings
Chain sequence(s) A: MHHHHHHGGRNIEKSKAVTCLSNRENIKTQIVIAMAEESSKGKNEVMKEVLENKDGKYFETEPKCKSGGIYSATFDDGYDGITGIESIAKVYVTCTKHPDGVEMARDIHQSMKDLIASFSQDPSIIPGASKGNDDFRKYLLDNKYKNGWPTIPDEFKAKYGLSKDTLYIQPYAYSPTKSDATVVVFANNKTGGNWYTSLVYDYDEGRWYKGKNGISVAGRSWDVDTDSVKSVKTEIHSKEGWGPLNGSGGGGQEIEAKIGIMAVNLTTATTAIITSSLGIASGFSILLVPLAGISAGIPSLVNNELVLRDKATKVVDYFKHVSLVETEGVFTLLDDKVMMPQDDLVISEIDFNNNSIVLGKCEIWRMEGGSGHTVTDDIDHFFSAPSITYREPHLSIYDVLEVQKEELDLSKDLMVLPNAPNRVFAWETGWTPGLRSLENDGTKLLDRIRDNYEGEFYWRYFAFIADALITTLKPRYEDTNIRINLDSNTRSFIVPIITTEYIREKLSYSFYGSGGTYALSLSQYNMGINIELSESDVWIIDVDNVVRDVTIESDKIKKGDLIEGILSTLSIEENKIILNSHEINFSGEVNGSNGFVSLTFSILEGINAIIEVDLLSKSYKLLISGELKILMLNSNHIQQKIDYIG
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX 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.    (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)
Show buried residues

Minimal score value
-3.9484
Maximal score value
3.4368
Average score
-0.7971
Total score value
-514.9108

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 0.2267
2 H A -1.3539
3 H A -2.2572
4 H A -2.5861
5 H A -2.8032
6 H A -3.1689
7 H A -3.0599
8 G A -2.4643
9 G A -2.5396
10 R A -3.7471
11 N A -2.8924
12 I A -1.0684
13 E A -2.4912
14 K A -2.5680
15 S A -1.1033
16 K A -1.2373
17 A A -0.5499
18 V A 0.9515
19 T A -0.1655
20 C A 0.0000
21 L A 0.6548
22 S A -0.0522
23 N A -0.8961
24 R A 0.0000
25 E A -1.1038
26 N A -1.6812
27 I A 0.0000
28 K A -0.5108
29 T A -0.2359
30 Q A -0.2017
31 I A 0.0000
32 V A 1.4489
33 I A 0.9944
34 A A 0.0000
35 M A -0.2846
36 A A 0.1346
37 E A -0.8050
38 E A -0.8658
39 S A -0.9607
40 S A -1.0229
41 K A -1.9668
42 G A -2.4149
43 K A -2.8051
44 N A -3.0821
45 E A -3.2382
46 V A 0.0000
47 M A 0.0000
48 K A -3.3358
49 E A 0.0000
50 V A 0.0000
51 L A -1.7637
52 E A -3.2642
53 N A -3.2774
54 K A -3.4748
55 D A -3.2744
56 G A -3.3098
57 K A -3.2822
58 Y A 0.0000
59 F A -2.2791
60 E A -2.4058
61 T A -1.9592
62 E A -2.7442
63 P A -2.0546
64 K A -2.2098
65 C A 0.0000
66 K A -2.1943
67 S A -1.5368
68 G A -1.2005
69 G A -0.4799
70 I A 1.1270
71 Y A 0.0000
72 S A 0.1991
73 A A -0.4313
74 T A -0.7985
75 F A -0.8607
76 D A -0.9603
77 D A -1.8097
78 G A 0.0000
79 Y A 0.3227
80 D A -0.2079
81 G A -0.5910
82 I A -0.1071
83 T A -0.1446
84 G A 0.2281
85 I A 1.3167
86 E A -0.4735
87 S A 0.2636
88 I A 1.4072
89 A A 0.0165
90 K A -0.1113
91 V A 0.0000
92 Y A -0.0448
93 V A 0.0000
94 T A -0.0225
95 C A 0.0000
96 T A -0.1058
97 K A -1.3413
98 H A -0.7339
99 P A -0.9347
100 D A -0.5171
101 G A 0.0000
102 V A -0.3413
103 E A -0.8465
104 M A -0.4207
105 A A 0.0000
106 R A -1.4020
107 D A -1.0828
108 I A 0.0000
109 H A -1.0788
110 Q A -1.4325
111 S A 0.0000
112 M A 0.0000
113 K A -1.3062
114 D A -1.0443
115 L A 0.0000
116 I A 0.0000
117 A A -0.9148
118 S A 0.0000
119 F A 0.0000
120 S A -1.6362
121 Q A -2.0469
122 D A -2.1813
123 P A -1.3935
124 S A -0.9696
125 I A -0.5630
126 I A 0.0000
127 P A -0.5948
128 G A -0.7261
129 A A -0.4532
130 S A -0.8915
131 K A -1.0899
132 G A -1.0751
133 N A 0.0000
134 D A -2.6636
135 D A -2.0496
136 F A 0.0000
137 R A 0.0000
138 K A -3.0361
139 Y A -2.0624
140 L A 0.0000
141 L A -2.4543
142 D A -3.4789
143 N A -2.9744
144 K A -2.5339
145 Y A -2.2545
146 K A -3.4735
147 N A -2.5801
148 G A -1.7414
149 W A 0.0000
150 P A -0.1716
151 T A -0.3098
152 I A 0.0000
153 P A -1.7461
154 D A -3.0922
155 E A -2.6626
156 F A -1.5758
157 K A 0.0000
158 A A -1.9863
159 K A -2.6747
160 Y A -1.2247
161 G A -1.0913
162 L A -1.3305
163 S A -1.7474
164 K A -2.8845
165 D A -2.8032
166 T A -1.8462
167 L A 0.0000
168 Y A -0.5041
169 I A 0.0000
170 Q A 0.0000
171 P A 0.0000
172 Y A -0.1137
173 A A 0.0000
174 Y A -0.3402
175 S A -0.9628
176 P A 0.0000
177 T A -1.2861
178 K A -2.3139
179 S A -1.7858
180 D A -1.8567
181 A A -1.3575
182 T A -0.6610
183 V A 0.0000
184 V A 0.0000
185 V A 0.0000
186 F A 0.0000
187 A A 0.0000
188 N A 0.0000
189 N A -2.0947
190 K A -2.2985
191 T A -1.3620
192 G A -1.6570
193 G A -1.2470
194 N A -0.9590
195 W A 0.0604
196 Y A 0.6647
197 T A 0.0000
198 S A -0.7214
199 L A 0.0000
200 V A 0.0000
201 Y A 0.0000
202 D A 0.0000
203 Y A -1.1993
204 D A -2.1232
205 E A -1.6861
206 G A -1.0922
207 R A -1.3454
208 W A 0.0000
209 Y A 0.0000
210 K A -1.2437
211 G A 0.0000
212 K A -2.8426
213 N A -2.4040
214 G A 0.0000
215 I A 0.0000
216 S A 0.3620
217 V A 0.0000
218 A A -0.0031
219 G A -0.2292
220 R A 0.0000
221 S A 0.0000
222 W A 0.0000
223 D A -1.3333
224 V A -0.0112
225 D A -1.6135
226 T A -1.3314
227 D A -2.1290
228 S A -1.0381
229 V A -0.3242
230 K A -1.7453
231 S A 0.0000
232 V A 0.0000
233 K A -1.4747
234 T A -1.2823
235 E A -1.6267
236 I A 0.0000
237 H A -1.3746
238 S A -1.5454
239 K A -2.1714
240 E A -2.7678
241 G A -2.2232
242 W A -1.8145
243 G A -1.2279
244 P A -0.9504
245 L A -1.0658
246 N A -1.7484
247 G A -1.6983
248 S A -1.3335
249 G A -1.2622
250 G A -1.4392
251 G A -1.6361
252 G A -2.0536
253 Q A -2.6255
254 E A -2.4455
255 I A -0.3030
256 E A -1.6507
257 A A -1.0292
258 K A -0.7373
259 I A 1.1137
260 G A 0.4339
261 I A 1.5284
262 M A 1.1509
263 A A 0.8547
264 V A 0.0000
265 N A -0.0236
266 L A 1.0390
267 T A 0.5098
268 T A 0.2441
269 A A 0.2529
270 T A 0.2331
271 T A 0.2110
272 A A 0.4033
273 I A 0.5703
274 I A 0.3988
275 T A 0.1523
276 S A 0.1435
277 S A 0.0000
278 L A -0.0543
279 G A -0.3285
280 I A -0.2515
281 A A -0.2164
282 S A -0.4815
283 G A -0.6397
284 F A 0.0000
285 S A 0.2735
286 I A 0.0000
287 L A 1.5645
288 L A 1.7583
289 V A 0.0000
290 P A 0.2250
291 L A 0.0000
292 A A 0.5121
293 G A 0.9931
294 I A 1.3510
295 S A 0.4320
296 A A 0.0000
297 G A 0.6495
298 I A 1.6052
299 P A 0.0000
300 S A 0.6265
301 L A 1.1226
302 V A 0.4776
303 N A -1.2470
304 N A -1.5878
305 E A -1.5499
306 L A -0.0823
307 V A -0.2459
308 L A 0.0000
309 R A -1.8008
310 D A -2.7756
311 K A -3.1159
312 A A 0.0000
313 T A -1.6111
314 K A -2.6715
315 V A 0.0000
316 V A 0.0000
317 D A -2.7770
318 Y A 0.0000
319 F A 0.0000
320 K A -2.2795
321 H A -1.0919
322 V A 0.0000
323 S A 0.0000
324 L A -0.7945
325 V A 0.0000
326 E A -1.6271
327 T A -1.3906
328 E A -1.7328
329 G A -1.3911
330 V A 0.0000
331 F A 0.1069
332 T A 0.1758
333 L A 0.0884
334 L A -0.5296
335 D A -2.4757
336 D A -2.9322
337 K A -3.1591
338 V A 0.0000
339 M A 0.0000
340 M A 0.5298
341 P A 0.0000
342 Q A 0.0000
343 D A 0.0000
344 D A 0.0072
345 L A 0.0000
346 V A 0.0000
347 I A 0.0000
348 S A -0.3329
349 E A -0.3546
350 I A 0.0000
351 D A 0.0000
352 F A 0.0000
353 N A -2.3591
354 N A -2.9174
355 N A -3.3195
356 S A -2.7002
357 I A 0.0000
358 V A 0.8733
359 L A 0.3453
360 G A -0.1537
361 K A -0.8265
362 C A 0.0000
363 E A -0.9503
364 I A 0.0000
365 W A -0.4500
366 R A -0.8631
367 M A 0.0000
368 E A -1.2621
369 G A -1.1045
370 G A -0.8322
371 S A -0.3320
372 G A -0.1930
373 H A -0.1684
374 T A 0.3784
375 V A 0.5849
376 T A -0.6918
377 D A -2.4286
378 D A -2.3869
379 I A 0.0000
380 D A 0.0000
381 H A 0.6036
382 F A 0.0000
383 F A 2.0112
384 S A 0.8150
385 A A 0.3390
386 P A 0.0000
387 S A -0.6572
388 I A -0.1819
389 T A 0.0000
390 Y A 0.0191
391 R A -2.1395
392 E A -2.6059
393 P A -1.7459
394 H A -1.1678
395 L A 0.0000
396 S A -0.9468
397 I A 0.0000
398 Y A 0.0000
399 D A -2.2371
400 V A -1.6875
401 L A 0.0000
402 E A -2.5793
403 V A -2.1919
404 Q A -3.0137
405 K A -2.8363
406 E A -3.9484
407 E A -3.9484
408 L A -3.0873
409 D A -2.6331
410 L A 0.0000
411 S A -1.8031
412 K A -2.2333
413 D A -2.4765
414 L A -1.2957
415 M A 0.0000
416 V A 0.0000
417 L A 0.0000
418 P A 0.0000
419 N A -0.2335
420 A A 0.0000
421 P A 0.0000
422 N A -1.5694
423 R A 0.0000
424 V A 0.0000
425 F A 0.0000
426 A A 0.0000
427 W A 0.0000
428 E A -1.3410
429 T A -0.6188
430 G A -0.0950
431 W A 1.3166
432 T A 0.0974
433 P A -0.0247
434 G A -0.6057
435 L A -0.6620
436 R A -1.6899
437 S A -1.4243
438 L A -1.0044
439 E A -2.5230
440 N A -2.5137
441 D A -2.8308
442 G A 0.0000
443 T A 0.0000
444 K A -2.7589
445 L A 0.0000
446 L A 0.0000
447 D A -2.1853
448 R A -2.3129
449 I A 0.0000
450 R A -2.5134
451 D A -3.4161
452 N A -3.1036
453 Y A -2.3026
454 E A -3.1089
455 G A -2.2164
456 E A -1.9893
457 F A 0.0000
458 Y A 0.0000
459 W A 0.0000
460 R A 0.0000
461 Y A 0.0000
462 F A 1.6119
463 A A 0.0000
464 F A 3.4368
465 I A 3.1551
466 A A 1.7982
467 D A 0.0000
468 A A 0.0000
469 L A 0.0000
470 I A 0.0000
471 T A -1.5762
472 T A -1.7982
473 L A 0.0000
474 K A -0.9401
475 P A 0.0000
476 R A -2.1873
477 Y A 0.0000
478 E A -2.5409
479 D A -2.9088
480 T A 0.0000
481 N A -2.1588
482 I A 0.0000
483 R A -1.2347
484 I A 0.0000
485 N A -0.9132
486 L A 0.0000
487 D A -1.4324
488 S A -1.2399
489 N A -1.9213
490 T A -1.1698
491 R A 0.0000
492 S A 0.0000
493 F A 0.0000
494 I A 0.0000
495 V A 0.0000
496 P A 0.0000
497 I A 0.0000
498 I A 0.0000
499 T A -0.0977
500 T A -0.6389
501 E A -2.0022
502 Y A -0.5688
503 I A 0.0000
504 R A -1.8573
505 E A -2.7934
506 K A -2.4454
507 L A 0.0000
508 S A -1.5503
509 Y A 0.0000
510 S A 0.0000
511 F A 0.0000
512 Y A -0.4156
513 G A -0.6678
514 S A -1.1079
515 G A -1.1352
516 G A 0.0000
517 T A -0.2847
518 Y A 0.0000
519 A A 0.0000
520 L A 0.0000
521 S A 0.0000
522 L A 0.0000
523 S A 0.0000
524 Q A -0.5541
525 Y A -0.5298
526 N A -1.6063
527 M A 0.0000
528 G A -1.3623
529 I A 0.0000
530 N A -1.2003
531 I A 0.0000
532 E A -1.3275
533 L A 0.0000
534 S A -1.7118
535 E A -2.4533
536 S A -1.1484
537 D A 0.0000
538 V A 0.2498
539 W A 0.0000
540 I A 0.0000
541 I A 0.0000
542 D A 0.0000
543 V A 0.0000
544 D A 0.0000
545 N A 0.0000
546 V A 0.0000
547 V A 0.0000
548 R A -1.9933
549 D A -2.7868
550 V A -1.5398
551 T A -1.4604
552 I A -1.5266
553 E A -2.6851
554 S A -2.3265
555 D A -2.9119
556 K A -2.7026
557 I A 0.0000
558 K A -2.3049
559 K A -1.9150
560 G A -2.2295
561 D A -2.6733
562 L A 0.0000
563 I A -1.3857
564 E A -2.1575
565 G A -1.1227
566 I A 0.0000
567 L A 0.0000
568 S A -0.6433
569 T A -0.2783
570 L A 0.0226
571 S A -0.6149
572 I A -1.0574
573 E A -2.4352
574 E A -2.8446
575 N A -2.2727
576 K A -2.0563
577 I A 0.0000
578 I A -0.3981
579 L A 0.0000
580 N A -0.6538
581 S A -0.6941
582 H A 0.0000
583 E A -1.2322
584 I A 0.0000
585 N A -1.5620
586 F A 0.0000
587 S A -1.3015
588 G A -1.8947
589 E A -2.5234
590 V A -1.0482
591 N A -0.8124
592 G A -0.4091
593 S A -0.6798
594 N A 0.0000
595 G A 0.0000
596 F A 1.1267
597 V A 0.0000
598 S A 0.0000
599 L A 0.0000
600 T A 0.0000
601 F A 0.0000
602 S A -0.5336
603 I A 0.0000
604 L A -1.1220
605 E A -1.8906
606 G A -1.7074
607 I A 0.0000
608 N A -0.6640
609 A A 0.0000
610 I A 0.0000
611 I A 0.0000
612 E A 0.3889
613 V A 0.0000
614 D A 0.2944
615 L A 0.0000
616 L A 0.5167
617 S A -0.2324
618 K A -1.5357
619 S A -0.3494
620 Y A 0.7561
621 K A 0.6320
622 L A 1.0896
623 L A 0.9456
624 I A 1.0087
625 S A -0.0909
626 G A -1.4402
627 E A -2.0585
628 L A -0.6976
629 K A -1.1829
630 I A -0.1932
631 L A 0.4393
632 M A 1.1115
633 L A 1.4519
634 N A -0.1475
635 S A -0.8066
636 N A -2.0444
637 H A -2.1658
638 I A 0.0000
639 Q A -2.6795
640 Q A -2.7477
641 K A -2.0724
642 I A -1.6779
643 D A -2.4661
644 Y A -1.1415
645 I A 0.0000
646 G A -1.1641
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Laboratory of Theory of Biopolymers 2018