Project name: 5fb798d43e5f31e

Status: done

Started: 2026-05-13 01:56:22
Settings
Chain sequence(s) A: MILSALNDYYQRLLERGEANISPFGYSQERISYALLLSAQGELLDVQDIRLLSGKKPQPRLMSVPQPEKRTSGIKSNVLWDKTSYVLGVSAKGGERTQQEHEAFKTLHRQILVKEDDPGLQALLQFLECWQPEQFRPPLFSEEMLDSNLVFRLDGQQCYLHETPAALELRARLLADSDSREGLCLVSGQRQPLARLHPAVKGVNGAQSSGASIVSFNLDAFSSYGKSQGENAPVSEQAAFAYTTVLNHLLRRDEHNRQRLQIGDASVVFWAQAATPAQVAAAESTFWSLLEPPADDGQEAEKLRGMLDAVATGRPLHELDPLLEEGTRIFVLGLAPNASRLSIRFWAVNSLAVFTQHLAEHFRDLRLEPLLWKTEPAIWRLLYATAPSRDGRAKAEDVPPQLAGEMTRAILTGSRYPRSLLANLIMRMRADGDVSGIRVALCKAVLAREARLSGKPHQEELPMSLDKDASNLGYRLGRLFAVLEGAQRAALGDKVNATIRDRYYGAASATPATVFPMLLRNTQNHLAKLRKDKPGLAVNLERDIGEIIDGMQSQFPRSLRLEDQGRFAIGYYQQAQARFNRDPALTEIDPVEQGRQE
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]                                                (00:00:00)
[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.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-4.1738
Maximal score value
1.5785
Average score
-0.9331
Total score value
-557.0659

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 1.5201
2 I A 0.9214
3 L A 0.6258
4 S A 0.2009
5 A A -0.1441
6 L A 0.0000
7 N A -1.1102
8 D A -2.0769
9 Y A 0.0000
10 Y A 0.0000
11 Q A -1.8736
12 R A -1.9368
13 L A 0.0000
14 L A -1.5761
15 E A -2.5060
16 R A -2.2047
17 G A -1.8555
18 E A -1.7012
19 A A -0.7959
20 N A -0.9610
21 I A 0.0000
22 S A 0.0000
23 P A -0.0815
24 F A 0.1232
25 G A 0.0000
26 Y A 0.0000
27 S A -0.5367
28 Q A -0.8763
29 E A -1.2487
30 R A -2.1959
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 -0.7161
37 L A 0.0000
38 S A -1.5770
39 A A -1.4595
40 Q A -1.9027
41 G A 0.0000
42 E A -1.8727
43 L A -0.5426
44 L A 0.0170
45 D A -0.6852
46 V A -0.2968
47 Q A -0.9506
48 D A -1.7901
49 I A -0.7706
50 R A -0.9404
51 L A 0.5962
52 L A 0.7050
53 S A -0.1842
54 G A -1.4425
55 K A -2.6468
56 K A -2.5887
57 P A -1.5359
58 Q A -1.7539
59 P A -1.6118
60 R A -1.2203
61 L A -0.1514
62 M A 0.0000
63 S A -0.6540
64 V A 0.0000
65 P A 0.0000
66 Q A -1.0065
67 P A -1.6167
68 E A -2.5409
69 K A -2.8783
70 R A -2.1263
71 T A -1.1681
72 S A -0.7509
73 G A -0.8435
74 I A -1.1568
75 K A -1.7712
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 -0.7817
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 -1.3922
89 V A -1.0595
90 S A -1.4681
91 A A -1.5693
92 K A -2.1745
93 G A -2.0376
94 G A -2.6488
95 E A -3.4253
96 R A -3.5322
97 T A 0.0000
98 Q A -3.2331
99 Q A -3.0169
100 E A 0.0000
101 H A 0.0000
102 E A -2.3370
103 A A -1.3684
104 F A 0.0000
105 K A -1.3718
106 T A -1.0392
107 L A -0.7681
108 H A 0.0000
109 R A -1.3514
110 Q A -1.2511
111 I A -0.5272
112 L A 0.0000
113 V A 0.0570
114 K A -1.6937
115 E A -1.4888
116 D A -2.3145
117 D A -1.7042
118 P A -1.1433
119 G A 0.0000
120 L A 0.0000
121 Q A -1.1796
122 A A 0.0000
123 L A 0.0000
124 L A -0.6500
125 Q A -1.5114
126 F A 0.0000
127 L A 0.0000
128 E A -1.2552
129 C A -0.4514
130 W A 0.0000
131 Q A -1.7924
132 P A -1.9442
133 E A -2.8112
134 Q A -2.3860
135 F A -1.9257
136 R A -2.6433
137 P A -1.3891
138 P A -0.6523
139 L A -0.1883
140 F A 0.0000
141 S A -1.8559
142 E A -2.9712
143 E A -2.7518
144 M A -1.7658
145 L A -1.6177
146 D A -1.8761
147 S A -1.2883
148 N A -1.1411
149 L A 0.0000
150 V A 0.0000
151 F A 0.0000
152 R A -1.1739
153 L A 0.0000
154 D A -2.2433
155 G A -1.7894
156 Q A -1.7157
157 Q A -1.7529
158 C A -0.9163
159 Y A -0.4958
160 L A 0.0000
161 H A 0.0000
162 E A -0.8187
163 T A 0.0000
164 P A -0.6835
165 A A -0.9989
166 A A 0.0000
167 L A -0.4300
168 E A -1.7106
169 L A 0.0000
170 R A -0.6184
171 A A -0.9641
172 R A -1.7842
173 L A -0.7570
174 L A -0.8401
175 A A -1.2579
176 D A -2.3131
177 S A -2.0495
178 D A -2.9323
179 S A -2.9373
180 R A -3.5453
181 E A -3.3041
182 G A -1.4328
183 L A 0.2774
184 C A 0.0000
185 L A 1.5785
186 V A 0.7366
187 S A -0.5686
188 G A -0.5588
189 Q A -1.8218
190 R A -2.2567
191 Q A -2.2204
192 P A -2.4715
193 L A -1.8653
194 A A 0.0000
195 R A -1.6849
196 L A 0.2730
197 H A 0.1744
198 P A -0.3206
199 A A -0.4096
200 V A 0.0000
201 K A -2.3308
202 G A -1.9931
203 V A 0.0000
204 N A -1.2200
205 G A -1.2339
206 A A -1.7385
207 Q A -2.0987
208 S A -1.4018
209 S A -1.1186
210 G A -1.5400
211 A A 0.0000
212 S A -0.2413
213 I A 0.2751
214 V A 0.3822
215 S A 0.1507
216 F A -0.1627
217 N A -0.4653
218 L A 0.3823
219 D A -1.1963
220 A A -0.0197
221 F A 0.4291
222 S A -0.3807
223 S A -0.2158
224 Y A 0.6097
225 G A -0.6588
226 K A -1.1986
227 S A -1.3448
228 Q A -1.0820
229 G A 0.0000
230 E A -1.3137
231 N A -0.7249
232 A A -0.2263
233 P A 0.0160
234 V A 0.0000
235 S A 0.0000
236 E A -0.8843
237 Q A -1.0208
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 -0.4565
245 V A 0.0000
246 L A 0.0000
247 N A -1.2544
248 H A 0.0000
249 L A 0.0000
250 L A 0.0000
251 R A -2.5627
252 R A -3.3861
253 D A -3.8591
254 E A -3.7241
255 H A -3.1554
256 N A 0.0000
257 R A -2.8014
258 Q A -1.3301
259 R A -1.5371
260 L A 0.0000
261 Q A -0.5426
262 I A 0.0000
263 G A -0.9320
264 D A -1.2518
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 -1.3164
273 A A -0.8465
274 A A -0.2533
275 T A -0.1072
276 P A -0.4509
277 A A 0.0587
278 Q A -0.2444
279 V A 0.0000
280 A A -0.0752
281 A A -0.1092
282 A A 0.0000
283 E A -0.6222
284 S A -0.5480
285 T A -0.1778
286 F A 0.0000
287 W A -0.5586
288 S A -0.5306
289 L A 0.0000
290 L A 0.0000
291 E A -0.6160
292 P A 0.0000
293 P A -1.6390
294 A A -1.6672
295 D A -2.8939
296 D A -3.1336
297 G A -3.3681
298 Q A -3.6191
299 E A -3.6585
300 A A 0.0000
301 E A -4.1500
302 K A -3.6938
303 L A 0.0000
304 R A -2.4905
305 G A -2.1759
306 M A 0.0000
307 L A 0.0000
308 D A -2.3749
309 A A 0.0000
310 V A -1.2076
311 A A -1.3069
312 T A -1.1095
313 G A -1.4381
314 R A -2.2105
315 P A -1.9246
316 L A 0.0000
317 H A -2.3730
318 E A -2.3844
319 L A -1.2271
320 D A -1.1492
321 P A -0.9439
322 L A -0.0798
323 L A 0.0000
324 E A -2.1319
325 E A -1.9547
326 G A -1.7217
327 T A 0.0000
328 R A -1.9137
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 -1.2969
337 N A -1.6207
338 A A -1.1329
339 S A -1.0421
340 R A -1.0505
341 L A 0.0000
342 S A -0.2582
343 I A 0.3986
344 R A -0.7801
345 F A 0.0000
346 W A 0.2875
347 A A 0.0000
348 V A 0.1847
349 N A -0.6904
350 S A -1.2923
351 L A 0.0000
352 A A -0.9169
353 V A -0.3216
354 F A 0.0000
355 T A 0.0000
356 Q A -1.0161
357 H A -0.6384
358 L A 0.0000
359 A A 0.0000
360 E A -1.1334
361 H A 0.0000
362 F A 0.0000
363 R A -1.5708
364 D A 0.0000
365 L A 0.0000
366 R A -0.9591
367 L A 0.0000
368 E A -0.7093
369 P A -0.4599
370 L A 0.2235
371 L A 0.3817
372 W A -0.2022
373 K A -1.8643
374 T A -1.5990
375 E A 0.0000
376 P A 0.0000
377 A A 0.0000
378 I A 0.0000
379 W A -0.1581
380 R A -0.4501
381 L A 0.0000
382 L A 0.0000
383 Y A -0.6072
384 A A 0.0000
385 T A 0.0000
386 A A 0.0000
387 P A -1.6028
388 S A -2.7670
389 R A -3.9095
390 D A -3.6279
391 G A -2.8014
392 R A -3.5726
393 A A -2.8044
394 K A -2.9187
395 A A -1.8472
396 E A -2.6536
397 D A -1.9429
398 V A 0.0000
399 P A -0.9864
400 P A -1.3840
401 Q A -1.5963
402 L A 0.0000
403 A A 0.0000
404 G A 0.0000
405 E A -1.7347
406 M A 0.0000
407 T A 0.0000
408 R A -1.9276
409 A A 0.0000
410 I A 0.0000
411 L A 0.0000
412 T A -0.7462
413 G A -0.7216
414 S A -1.0005
415 R A -1.8938
416 Y A 0.0000
417 P A -1.6661
418 R A -2.1565
419 S A -1.2651
420 L A 0.0000
421 L A 0.0000
422 A A -0.4359
423 N A -0.3649
424 L A 0.0000
425 I A 0.0000
426 M A 0.0637
427 R A -0.5511
428 M A 0.0000
429 R A -1.4184
430 A A -0.8495
431 D A -1.8803
432 G A -1.7504
433 D A -1.7844
434 V A 0.0000
435 S A -0.0168
436 G A 0.4380
437 I A 0.6940
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 -0.6620
446 L A 0.0000
447 A A -0.9987
448 R A 0.0000
449 E A -1.3310
450 A A -1.6942
451 R A -1.3703
452 L A -0.4822
453 S A -1.0717
454 G A -1.5719
455 K A -2.6689
456 P A -2.0271
457 H A -2.4554
458 Q A -2.6909
459 E A -2.7556
460 E A -2.5715
461 L A -1.1054
462 P A -0.7717
463 M A -0.3720
464 S A -0.3659
465 L A -0.5105
466 D A -1.2965
467 K A -2.0546
468 D A -2.4948
469 A A 0.0000
470 S A -1.2381
471 N A -0.6725
472 L A -0.0928
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 0.0000
486 A A 0.0000
487 Q A 0.0000
488 R A -1.1666
489 A A -0.9850
490 A A 0.0000
491 L A -0.9041
492 G A -1.6588
493 D A -2.8904
494 K A -2.7804
495 V A -1.7577
496 N A -1.9788
497 A A -1.6831
498 T A -1.3882
499 I A 0.0000
500 R A -1.9642
501 D A -3.1713
502 R A -2.7566
503 Y A -1.2808
504 Y A 0.0000
505 G A -0.8813
506 A A -0.3840
507 A A 0.0000
508 S A 0.0000
509 A A -0.7301
510 T A -0.9073
511 P A 0.0000
512 A A -0.7738
513 T A -0.3660
514 V A 0.0000
515 F A 0.0000
516 P A -0.4103
517 M A -0.4186
518 L A 0.0000
519 L A -1.2077
520 R A -2.5483
521 N A -2.1908
522 T A 0.0000
523 Q A -2.6325
524 N A -2.6178
525 H A -1.9471
526 L A 0.0000
527 A A -2.3459
528 K A -3.1510
529 L A 0.0000
530 R A -3.4769
531 K A -4.1738
532 D A -4.1385
533 K A -3.4705
534 P A -2.4939
535 G A -1.1162
536 L A -0.8497
537 A A 0.0000
538 V A 0.0887
539 N A -0.8466
540 L A 0.0000
541 E A -1.4184
542 R A -2.1507
543 D A -1.6901
544 I A 0.0000
545 G A -1.6875
546 E A -2.0353
547 I A 0.0000
548 I A -0.8684
549 D A -1.9865
550 G A -1.6753
551 M A -1.1966
552 Q A -1.7067
553 S A -1.3398
554 Q A -1.4919
555 F A -0.7689
556 P A -1.1393
557 R A -2.0471
558 S A -1.4841
559 L A 0.0000
560 R A -2.1334
561 L A -1.2582
562 E A -1.6485
563 D A -1.4229
564 Q A -0.9760
565 G A 0.0000
566 R A -0.7189
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 0.0566
573 Q A 0.0000
574 Q A 0.0000
575 A A -0.1750
576 Q A -0.8263
577 A A -1.1364
578 R A -1.3426
579 F A -0.8457
580 N A -2.2230
581 R A -2.7867
582 D A -1.8805
583 P A -1.2359
584 A A -0.4174
585 L A 0.3247
586 T A -0.4826
587 E A -1.0979
588 I A 0.6078
589 D A -1.2477
590 P A -0.6697
591 V A 0.1384
592 E A -2.2947
593 Q A -2.5424
594 G A -2.7580
595 R A -3.7051
596 Q A -3.2685
597 E A -2.9383
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Laboratory of Theory of Biopolymers 2018