Project name: c10b81ed6441259

Status: done

Started: 2026-05-13 02:02:32
Settings
Chain sequence(s) A: MILSALNDYYQRLLERGEANISPFGYSQERISYALLLSAQGELLDVQDIRLLSGKKPQPRLMSVPQPEKRTSGIKSNVLWDKTSYVLGVSAKGGERTQQEHEAFKTLHRQILVKEDDPGLQALLQFLECWQPEQFRPPLFSEEMLDSNLVFRLDGQQCYLHETPAALELRARLLADSDSREGLCLVSGQRQPLARLHPAVKGVNGAQSSGASIVSFNLDAFSSYGKSQGENAPVSEQAAFAYTTVLNHLLRRDEHNRQRLQIGDASVVFWAQAATPAQVAAAESTFWSLLEPPADDGQEAEKLRGMLDAVATGRPLHELDPLLEEGTRIFVLGLAPNASRLSIRFWAVNSLAVFTQHLAEHFRDLRLEPLLWKTEPAIWRLLYATAPSRDGRAKAEDVPPQLAGEMTRAILTGSRYPRSLLANLIMRMRADGDVSGIRVALCKAVLAREARLSGKPHQEELPMSLDKDASNLGYRLGRLFAVLEGAQRAALGDKVNATIRDRYYGAASATPATVFPMLLRNTQNHLAKLRKDKPGLAVNLERDIGEIIDGMQSQFPRSLRLEDQGRFAIGYYQQAQARFNRDPALTEIDPVEQGRQE
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:39)
Show buried residues

Minimal score value
-4.1719
Maximal score value
1.4737
Average score
-0.9379
Total score value
-559.9313

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 1.4737
2 I A 1.0025
3 L A 0.7075
4 S A 0.4168
5 A A 0.0000
6 L A 0.0000
7 N A -0.6577
8 D A -1.1925
9 Y A 0.0000
10 Y A 0.0000
11 Q A -2.2091
12 R A -2.2185
13 L A 0.0000
14 L A -1.9601
15 E A -3.1479
16 R A -3.2668
17 G A -2.3070
18 E A -1.8224
19 A A -0.7042
20 N A -0.5237
21 I A 0.0000
22 S A 0.0000
23 P A -0.0678
24 F A 0.3320
25 G A 0.0000
26 Y A 0.0000
27 S A -0.4702
28 Q A -0.6923
29 E A -0.9917
30 R A -1.5295
31 I A 0.0000
32 S A 0.0000
33 Y A 0.0000
34 A A 0.0000
35 L A 0.0000
36 L A -0.7017
37 L A 0.0000
38 S A 0.0000
39 A A -1.5025
40 Q A -2.0275
41 G A 0.0000
42 E A -1.9131
43 L A -0.4645
44 L A 0.0920
45 D A -0.5971
46 V A 0.0000
47 Q A -1.1268
48 D A -1.5190
49 I A 0.0000
50 R A -0.6485
51 L A 0.6119
52 L A 0.7054
53 S A -0.2197
54 G A -1.4752
55 K A -2.6151
56 K A -2.5022
57 P A -1.2493
58 Q A -1.2408
59 P A -1.0197
60 R A -0.5969
61 L A 0.0982
62 M A 0.0000
63 S A -0.5491
64 V A 0.0000
65 P A 0.0000
66 Q A -1.0920
67 P A -1.6756
68 E A -2.6597
69 K A -2.9091
70 R A -2.0693
71 T A -1.1694
72 S A -0.8229
73 G A -1.0813
74 I A -1.4706
75 K A -2.2657
76 S A 0.0000
77 N A 0.0000
78 V A 0.0000
79 L A 0.0000
80 W A 0.0000
81 D A 0.0000
82 K A -0.7778
83 T A 0.0000
84 S A 0.0000
85 Y A 0.0000
86 V A 0.0000
87 L A 0.0000
88 G A -1.3864
89 V A -0.9450
90 S A -1.1705
91 A A -1.3942
92 K A -1.9769
93 G A -1.7948
94 G A -2.4182
95 E A -3.1724
96 R A -3.0661
97 T A 0.0000
98 Q A -3.0479
99 Q A -3.2472
100 E A -2.3556
101 H A 0.0000
102 E A -2.4622
103 A A -1.6717
104 F A 0.0000
105 K A -1.6439
106 T A -1.2023
107 L A -0.9063
108 H A 0.0000
109 R A -1.8141
110 Q A -1.4208
111 I A -0.5744
112 L A 0.0000
113 V A -0.0281
114 K A -1.6762
115 E A 0.0000
116 D A -2.2700
117 D A -1.7002
118 P A -1.1490
119 G A 0.0000
120 L A 0.0000
121 Q A -1.5032
122 A A 0.0000
123 L A 0.0000
124 L A -1.1033
125 Q A -2.2222
126 F A 0.0000
127 L A 0.0000
128 E A -1.7151
129 C A -0.7162
130 W A 0.0000
131 Q A -2.0067
132 P A -2.0336
133 E A -2.9529
134 Q A -2.6647
135 F A -2.0983
136 R A -2.7609
137 P A -1.4903
138 P A -0.7438
139 L A -0.4469
140 F A 0.0000
141 S A -1.8971
142 E A -2.8996
143 E A -2.6635
144 M A -1.5839
145 L A -1.3416
146 D A -1.3095
147 S A -0.9675
148 N A -0.9508
149 L A 0.0000
150 V A 0.0000
151 F A 0.0000
152 R A -1.2431
153 L A -1.3194
154 D A -2.2434
155 G A -1.9291
156 Q A -2.0576
157 Q A -1.9483
158 C A -1.0850
159 Y A -0.5707
160 L A 0.0000
161 H A 0.0000
162 E A -0.9619
163 T A -0.8784
164 P A -0.7622
165 A A -1.0183
166 A A 0.0000
167 L A -0.6338
168 E A -1.5901
169 L A 0.0000
170 R A -0.5637
171 A A -0.7997
172 R A -1.4422
173 L A -0.5962
174 L A -0.6491
175 A A -1.1201
176 D A -2.2169
177 S A -2.0028
178 D A -2.8899
179 S A -2.8722
180 R A -3.4283
181 E A -3.0693
182 G A -1.3845
183 L A 0.2219
184 C A 0.0000
185 L A 1.3139
186 V A 0.7507
187 S A -0.4679
188 G A -0.6589
189 Q A -1.8755
190 R A -2.2868
191 Q A -2.1841
192 P A -2.3376
193 L A -1.7334
194 A A 0.0000
195 R A -1.6614
196 L A 0.3270
197 H A 0.1865
198 P A -0.3161
199 A A -0.3575
200 V A 0.0000
201 K A -2.1667
202 G A -2.2001
203 V A 0.0000
204 N A -1.7810
205 G A -1.4642
206 A A -1.7272
207 Q A -1.7716
208 S A -1.2498
209 S A -0.9526
210 G A -1.3434
211 A A 0.0000
212 S A -0.2361
213 I A 0.2479
214 V A 0.3597
215 S A 0.1049
216 F A -0.2316
217 N A -0.5031
218 L A 0.3442
219 D A -1.2147
220 A A -0.0499
221 F A 0.3630
222 S A -0.3882
223 S A -0.1514
224 Y A 0.6610
225 G A -0.6085
226 K A -1.1423
227 S A -1.3035
228 Q A -1.1192
229 G A 0.0000
230 E A -1.2880
231 N A -0.7120
232 A A -0.2830
233 P A -0.0577
234 V A 0.0000
235 S A 0.0000
236 E A -0.5972
237 Q A -0.4589
238 A A 0.0000
239 A A 0.0000
240 F A 0.0000
241 A A 0.0000
242 Y A 0.0000
243 T A 0.0000
244 T A -0.3675
245 V A 0.0000
246 L A 0.0000
247 N A -1.2450
248 H A 0.0000
249 L A 0.0000
250 L A 0.0000
251 R A -2.6169
252 R A -3.4633
253 D A -3.8884
254 E A -3.7367
255 H A -3.1672
256 N A 0.0000
257 R A -2.8161
258 Q A -1.3537
259 R A -1.5927
260 L A 0.0000
261 Q A -0.6600
262 I A 0.0000
263 G A -1.0456
264 D A -1.4599
265 A A 0.0000
266 S A 0.0000
267 V A 0.0000
268 V A 0.0000
269 F A 0.0000
270 W A 0.0000
271 A A 0.0000
272 Q A -1.0797
273 A A -0.7618
274 A A -0.1600
275 T A -0.0500
276 P A -0.4450
277 A A 0.0696
278 Q A -0.2449
279 V A -0.2349
280 A A 0.0263
281 A A -0.1718
282 A A 0.0000
283 E A -0.5319
284 S A -0.5406
285 T A -0.1763
286 F A 0.0000
287 W A -0.5584
288 S A -0.4884
289 L A 0.0000
290 L A 0.0000
291 E A -0.5420
292 P A 0.0000
293 P A -1.5918
294 A A -1.6557
295 D A -2.8834
296 D A -3.1046
297 G A -3.3343
298 Q A -3.5517
299 E A -3.5241
300 A A 0.0000
301 E A -4.0891
302 K A -3.6105
303 L A 0.0000
304 R A -2.4028
305 G A -2.1538
306 M A 0.0000
307 L A 0.0000
308 D A -2.5319
309 A A 0.0000
310 V A 0.0000
311 A A -1.6469
312 T A -1.2577
313 G A -1.6547
314 R A -2.5834
315 P A -2.1203
316 L A 0.0000
317 H A -2.3990
318 E A -2.5891
319 L A -1.3235
320 D A -1.3962
321 P A -1.1785
322 L A -0.4458
323 L A 0.0000
324 E A -2.1504
325 E A -1.7027
326 G A -1.6478
327 T A 0.0000
328 R A -2.1895
329 I A 0.0000
330 F A 0.0000
331 V A 0.0000
332 L A 0.0000
333 G A 0.0000
334 L A 0.0000
335 A A 0.0000
336 P A -1.3804
337 N A -1.6004
338 A A -1.0881
339 S A -1.0117
340 R A -1.0785
341 L A 0.0000
342 S A -0.2612
343 I A 0.4029
344 R A -0.6733
345 F A 0.0000
346 W A 0.4609
347 A A 0.0000
348 V A 0.1208
349 N A -0.7744
350 S A -1.3147
351 L A 0.0000
352 A A -0.8141
353 V A -0.1831
354 F A 0.0000
355 T A 0.0000
356 Q A -1.0721
357 H A -0.8254
358 L A 0.0000
359 A A 0.0000
360 E A -1.8633
361 H A 0.0000
362 F A 0.0000
363 R A -2.4119
364 D A 0.0000
365 L A 0.0000
366 R A -1.5539
367 L A 0.0000
368 E A -1.2849
369 P A -0.8984
370 L A -0.2268
371 L A 0.0512
372 W A -0.3596
373 K A -1.9217
374 T A 0.0000
375 E A 0.0000
376 P A 0.0000
377 A A 0.0000
378 I A 0.0000
379 W A 0.0506
380 R A -0.0796
381 L A 0.0000
382 L A 0.0000
383 Y A -0.6218
384 A A -0.2024
385 T A 0.0000
386 A A 0.0000
387 P A -1.7597
388 S A -2.7871
389 R A -3.8583
390 D A -3.5837
391 G A -2.7509
392 R A -3.5798
393 A A -2.9759
394 K A -3.3032
395 A A -2.1679
396 E A -3.1655
397 D A -2.9296
398 V A 0.0000
399 P A -1.2561
400 P A -1.6139
401 Q A -1.7056
402 L A 0.0000
403 A A 0.0000
404 G A 0.0000
405 E A -1.7320
406 M A 0.0000
407 T A 0.0000
408 R A -1.0445
409 A A 0.0000
410 I A 0.0000
411 L A 0.0000
412 T A -0.4563
413 G A -0.6986
414 S A -0.9438
415 R A -2.1489
416 Y A 0.0000
417 P A -1.7530
418 R A -2.2795
419 S A -1.3594
420 L A 0.0000
421 L A 0.0000
422 A A -0.4358
423 N A -0.4267
424 L A 0.0000
425 I A 0.0000
426 M A 0.0183
427 R A -0.5272
428 M A 0.0000
429 R A -1.3912
430 A A -0.7561
431 D A -1.6322
432 G A -1.6132
433 D A -1.6133
434 V A 0.0000
435 S A -0.0739
436 G A 0.2922
437 I A 0.4617
438 R A 0.0000
439 V A 0.0000
440 A A 0.0000
441 L A 0.0000
442 C A 0.0000
443 K A 0.0000
444 A A 0.0000
445 V A 0.0000
446 L A -0.7359
447 A A 0.0000
448 R A 0.0000
449 E A -1.3976
450 A A -1.8723
451 R A -1.6581
452 L A -0.7535
453 S A -1.2806
454 G A -1.7244
455 K A -2.8205
456 P A -2.1466
457 H A -2.6202
458 Q A -3.0842
459 E A -2.7142
460 E A -2.6400
461 L A 0.0000
462 P A -0.9669
463 M A -0.7190
464 S A -0.6697
465 L A -0.7177
466 D A -1.6593
467 K A -2.7370
468 D A -2.8116
469 A A 0.0000
470 S A -1.2619
471 N A -0.6090
472 L A -0.0651
473 G A 0.0000
474 Y A 0.0000
475 R A 0.0000
476 L A 0.0000
477 G A 0.0000
478 R A 0.0000
479 L A 0.0000
480 F A 0.0000
481 A A 0.0000
482 V A 0.0000
483 L A 0.0000
484 E A 0.0000
485 G A -0.5229
486 A A 0.0000
487 Q A -1.0652
488 R A -1.6005
489 A A -1.2055
490 A A 0.0000
491 L A -1.1661
492 G A -1.8679
493 D A -2.9862
494 K A -2.8473
495 V A -1.8245
496 N A -1.9784
497 A A -1.6344
498 T A 0.0000
499 I A -1.2168
500 R A -1.8522
501 D A -3.1320
502 R A -2.7531
503 Y A -1.3171
504 Y A 0.0000
505 G A -0.9284
506 A A -0.4105
507 A A 0.0000
508 S A 0.0000
509 A A -0.7530
510 T A -0.9106
511 P A 0.0000
512 A A -0.7862
513 T A -0.3657
514 V A 0.0000
515 F A 0.0000
516 P A -0.4033
517 M A -0.5184
518 L A 0.0000
519 L A -1.2555
520 R A -2.6671
521 N A -2.3910
522 T A 0.0000
523 Q A -2.8656
524 N A -2.8338
525 H A -2.2541
526 L A 0.0000
527 A A -2.6028
528 K A -3.5167
529 L A 0.0000
530 R A -3.5205
531 K A -4.1719
532 D A -3.9691
533 K A -2.9594
534 P A -2.2903
535 G A -0.9544
536 L A -0.6387
537 A A 0.0000
538 V A 0.2677
539 N A -0.6165
540 L A 0.0000
541 E A -1.0768
542 R A -1.7103
543 D A -1.4180
544 I A -0.7514
545 G A -1.3859
546 E A -1.8120
547 I A 0.0000
548 I A -0.8183
549 D A -1.9131
550 G A -1.6873
551 M A -1.1709
552 Q A -1.7004
553 S A -1.3365
554 Q A -1.5181
555 F A -0.8048
556 P A -1.1539
557 R A -2.0566
558 S A -1.4992
559 L A 0.0000
560 R A -2.0401
561 L A -1.1078
562 E A -1.2815
563 D A -1.2797
564 Q A -0.8869
565 G A 0.0000
566 R A -0.6452
567 F A 0.0000
568 A A 0.0000
569 I A 0.0000
570 G A 0.0000
571 Y A 0.0000
572 Y A 0.0851
573 Q A 0.0000
574 Q A 0.0000
575 A A -0.0037
576 Q A -0.6341
577 A A -0.9314
578 R A -0.8789
579 F A -0.1005
580 N A -1.8254
581 R A -2.4484
582 D A -1.4213
583 P A -0.9149
584 A A -0.1104
585 L A 0.9072
586 T A -0.1474
587 E A -0.9843
588 I A 0.6709
589 D A -1.2468
590 P A -0.6697
591 V A 0.1491
592 E A -2.2735
593 Q A -2.5056
594 G A -2.6823
595 R A -3.6682
596 Q A -3.2481
597 E A -2.9288
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Laboratory of Theory of Biopolymers 2018