Project name: 51d9efbb679df87

Status: done

Started: 2026-06-22 07:37:05
Settings
Chain sequence(s) A: MGSSHHHHHHGSGMNKEILAVVEAVSNEKALPREKIFEALESALATATKKKYEQEIDVRVQIDRKSGDFDTFRRWLVVDEVTQPTKEITLEAARYEDESLNLGDYVEDQIESVTFDRITTQTAKQVIVQKVREAERAMVVDQFREHEGEIITGVVKKVNRDNISLDLGNNAEAVILREDMLPRENFRPGDRVRGVLYSVRPEARGAQLFVTRSKPEMLIELFRIEVPEIGEEVIEIKAAARDPGSRAKIAVKTNDKRIDPVGACVGMRGARVQAVSTELGGERIDIVLWDDNPAQFVINAMAPADVASIVVDEDKHTMDIAVEAGNLAQAIGRNGQNVRLASQLSGWELNVMTVDDLQAKHQAEAHAAIDTFTKYLDIDEDFATVLVEEGFSTLEELAYVPMKELLEIEGLDEPTVEALRERAKNALATIAQAQEESLGDNKPADDLLNLEGVDRDLAFKLAARGVCTLEDLAEQGIDDLADIEGLTDEKAGALIMAARNICWFGDEAGSGENLYFQGMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDHISLGDYEIHDGMNLELYYQ
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                                          (00:08:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:01)
Show buried residues

Minimal score value
-4.2082
Maximal score value
2.2564
Average score
-1.3221
Total score value
-781.3709

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 0.7498
2 G A -0.2298
3 S A -0.6655
4 S A -1.1908
5 H A -2.0756
6 H A -2.4497
7 H A -2.6315
8 H A -2.6713
9 H A -2.4542
10 H A -2.0827
11 G A -1.5387
12 S A -1.5463
13 G A -1.3922
14 M A -1.2302
15 N A -1.6157
16 K A -2.4186
17 E A -2.4052
18 I A 0.0000
19 L A 0.0000
20 A A -1.2105
21 V A -0.8996
22 V A 0.0000
23 E A -2.4426
24 A A -1.6060
25 V A -1.3885
26 S A 0.0000
27 N A -2.8282
28 E A -2.8801
29 K A -2.1596
30 A A -1.3325
31 L A 0.0000
32 P A -1.9138
33 R A -2.9427
34 E A -3.1251
35 K A -2.6413
36 I A 0.0000
37 F A 0.0000
38 E A -2.9519
39 A A 0.0000
40 L A 0.0000
41 E A -1.5247
42 S A -1.0242
43 A A -0.6794
44 L A 0.0000
45 A A 0.0000
46 T A -1.1821
47 A A -0.9647
48 T A 0.0000
49 K A -3.0584
50 K A -3.5491
51 K A -3.2492
52 Y A -2.6687
53 E A -3.3564
54 Q A -3.3649
55 E A -3.6121
56 I A 0.0000
57 D A -1.4966
58 V A 0.0000
59 R A -1.6225
60 V A 0.0000
61 Q A -2.2837
62 I A 0.0000
63 D A -2.8989
64 R A -2.6954
65 K A -2.7438
66 S A -2.0645
67 G A -2.2758
68 D A -2.1427
69 F A -1.5031
70 D A -2.0828
71 T A 0.0000
72 F A -2.0628
73 R A -1.9471
74 R A -1.4536
75 W A -0.6788
76 L A -0.1797
77 V A 0.0000
78 V A -1.3712
79 D A -2.6051
80 E A -2.4900
81 V A -1.1456
82 T A -1.1062
83 Q A -1.6055
84 P A -1.1596
85 T A -1.4853
86 K A -1.5072
87 E A -0.8790
88 I A -0.5097
89 T A -1.2496
90 L A -1.6191
91 E A -2.5033
92 A A -1.2039
93 A A 0.0000
94 R A -2.7475
95 Y A -1.1549
96 E A -2.6255
97 D A -3.1653
98 E A -3.2665
99 S A -2.0273
100 L A -1.8756
101 N A -1.9401
102 L A -0.3603
103 G A -0.6628
104 D A -0.7763
105 Y A -0.2696
106 V A -1.0641
107 E A -2.0022
108 D A -2.7491
109 Q A -2.7698
110 I A -1.9462
111 E A -2.0647
112 S A -1.0272
113 V A -0.5616
114 T A -0.2503
115 F A 0.0008
116 D A -0.9852
117 R A -1.5849
118 I A 0.2334
119 T A 0.0000
120 T A -1.0601
121 Q A -1.6802
122 T A -0.9753
123 A A 0.0000
124 K A -1.4341
125 Q A -1.8021
126 V A -1.1666
127 I A 0.0000
128 V A -0.8383
129 Q A -2.2248
130 K A -2.1419
131 V A -1.9832
132 R A -3.0664
133 E A -3.2272
134 A A 0.0000
135 E A -2.2815
136 R A -2.6493
137 A A -1.5561
138 M A -1.1675
139 V A -1.7601
140 V A 0.0000
141 D A -3.0771
142 Q A -2.7772
143 F A -2.7410
144 R A -4.2082
145 E A -4.0135
146 H A -3.1099
147 E A -3.0102
148 G A -1.9583
149 E A -1.6328
150 I A -0.5554
151 I A -0.4603
152 T A -0.7888
153 G A 0.0000
154 V A -1.8579
155 V A 0.0000
156 K A -3.0028
157 K A -2.7205
158 V A -1.9566
159 N A -2.5997
160 R A -2.9262
161 D A -2.7264
162 N A -2.2452
163 I A 0.0000
164 S A -1.3754
165 L A 0.0000
166 D A -2.0216
167 L A -1.1882
168 G A -1.4351
169 N A -2.2122
170 N A -2.4367
171 A A 0.0000
172 E A -2.0512
173 A A 0.0000
174 V A 0.0000
175 I A 0.0000
176 L A -1.6553
177 R A -3.2835
178 E A -2.7735
179 D A 0.0000
180 M A -1.7322
181 L A 0.0000
182 P A -2.0004
183 R A -2.5273
184 E A -2.0808
185 N A -2.2734
186 F A -2.1438
187 R A -2.9076
188 P A -2.3526
189 G A -2.1980
190 D A -2.6181
191 R A -2.7861
192 V A 0.0000
193 R A -1.5459
194 G A 0.0000
195 V A 0.0000
196 L A 0.0000
197 Y A -0.6299
198 S A -0.8232
199 V A -1.7573
200 R A -2.1712
201 P A -2.5248
202 E A -2.9450
203 A A -2.3000
204 R A -2.8302
205 G A -1.7699
206 A A -1.3103
207 Q A 0.0000
208 L A 0.0000
209 F A 0.0000
210 V A 0.0000
211 T A 0.0000
212 R A 0.0000
213 S A -1.2820
214 K A -1.3329
215 P A -0.9734
216 E A -1.2563
217 M A 0.0000
218 L A 0.0000
219 I A -0.1319
220 E A -0.3391
221 L A 0.0000
222 F A 0.0000
223 R A -1.0108
224 I A 1.0220
225 E A -0.1618
226 V A 0.0000
227 P A -1.1504
228 E A -1.7400
229 I A 0.0000
230 G A -2.2651
231 E A -3.2755
232 E A -3.4166
233 V A -1.9529
234 I A 0.0000
235 E A -2.9410
236 I A -1.1903
237 K A -1.2809
238 A A -0.7466
239 A A -0.5029
240 A A 0.0000
241 R A -1.4286
242 D A -1.4589
243 P A -1.2156
244 G A -1.4639
245 S A -1.0391
246 R A 0.0000
247 A A 0.0000
248 K A 0.0000
249 I A 0.0000
250 A A 0.0000
251 V A 0.0000
252 K A -1.5794
253 T A -2.2373
254 N A -2.4485
255 D A -2.3525
256 K A -3.2040
257 R A -3.0286
258 I A -1.9760
259 D A -2.2135
260 P A 0.0000
261 V A 0.1259
262 G A -0.4432
263 A A -0.1809
264 C A 0.0000
265 V A 0.2213
266 G A -0.1137
267 M A 0.1636
268 R A -1.4611
269 G A -0.7939
270 A A -0.6850
271 R A -0.5140
272 V A -0.7076
273 Q A -1.7995
274 A A -0.9953
275 V A 0.0000
276 S A -1.5423
277 T A -1.4627
278 E A -1.7250
279 L A 0.0000
280 G A -1.6893
281 G A -1.6194
282 E A 0.0000
283 R A -2.1817
284 I A -0.8598
285 D A -0.2868
286 I A 0.4228
287 V A 0.0000
288 L A 0.5080
289 W A -0.7792
290 D A -1.8820
291 D A -2.8083
292 N A -2.5096
293 P A -1.3424
294 A A -0.5606
295 Q A -1.0300
296 F A 0.0000
297 V A 0.0000
298 I A 0.1665
299 N A -0.0749
300 A A 0.0000
301 M A 0.0000
302 A A -0.4832
303 P A -0.7452
304 A A 0.0000
305 D A -2.0500
306 V A -0.6294
307 A A -0.4079
308 S A 0.0903
309 I A 0.6604
310 V A 0.6513
311 V A -0.3374
312 D A -2.3184
313 E A -3.4183
314 D A -3.7514
315 K A -3.7554
316 H A -3.2819
317 T A -2.4672
318 M A 0.0000
319 D A -0.3642
320 I A 0.0000
321 A A 0.0000
322 V A 0.0000
323 E A -2.0423
324 A A -1.1591
325 G A -1.1066
326 N A -1.3450
327 L A -0.3132
328 A A -0.7103
329 Q A -1.2149
330 A A 0.0000
331 I A -0.4630
332 G A -1.4957
333 R A -2.4889
334 N A -2.2967
335 G A -1.5878
336 Q A 0.0000
337 N A 0.0000
338 V A -1.4222
339 R A -2.5921
340 L A 0.0000
341 A A 0.0000
342 S A -1.9984
343 Q A -2.1574
344 L A 0.0000
345 S A -1.1700
346 G A -1.4121
347 W A 0.0000
348 E A -2.9696
349 L A 0.0000
350 N A -0.9728
351 V A 0.0522
352 M A -0.6411
353 T A -0.9320
354 V A -0.7464
355 D A -2.5979
356 D A -2.5345
357 L A 0.0000
358 Q A -2.8502
359 A A -2.7030
360 K A -3.4489
361 H A -3.2381
362 Q A -2.9970
363 A A -2.4609
364 E A -3.2576
365 A A -2.4980
366 H A -2.5802
367 A A -1.8243
368 A A 0.0000
369 I A -2.0714
370 D A -2.9926
371 T A -1.5862
372 F A 0.0000
373 T A -2.8670
374 K A -2.8202
375 Y A -1.3802
376 L A 0.0000
377 D A -2.7650
378 I A -2.2984
379 D A -3.7475
380 E A -3.9912
381 D A -2.7933
382 F A -1.4711
383 A A 0.0000
384 T A -1.8433
385 V A -1.0734
386 L A 0.0000
387 V A -1.3380
388 E A -2.4020
389 E A -2.9400
390 G A -1.8041
391 F A -1.0918
392 S A -1.3056
393 T A -0.7504
394 L A 0.0000
395 E A -1.6249
396 E A -1.1048
397 L A 0.0000
398 A A 0.0000
399 Y A 0.5117
400 V A -0.1751
401 P A -0.5892
402 M A -1.5768
403 K A -2.7188
404 E A -2.6418
405 L A 0.0000
406 L A -2.4825
407 E A -3.2614
408 I A 0.0000
409 E A -2.4573
410 G A -1.7291
411 L A -1.8888
412 D A -2.9360
413 E A -3.1081
414 P A -2.1390
415 T A -1.9265
416 V A 0.0000
417 E A -3.2671
418 A A -2.3276
419 L A 0.0000
420 R A -2.7239
421 E A -3.7774
422 R A -3.2599
423 A A 0.0000
424 K A -3.1259
425 N A -2.6934
426 A A 0.0000
427 L A -1.1579
428 A A -1.0155
429 T A -0.7739
430 I A -0.5640
431 A A -1.0138
432 Q A -1.7805
433 A A -1.6256
434 Q A -2.1415
435 E A -2.8182
436 E A -3.2909
437 S A -2.3681
438 L A -2.5245
439 G A -2.7080
440 D A -3.2602
441 N A -3.4544
442 K A -3.4334
443 P A 0.0000
444 A A -1.6497
445 D A -2.4190
446 D A -1.7936
447 L A 0.0000
448 L A -2.2606
449 N A -2.6698
450 L A 0.0000
451 E A -2.5423
452 G A -2.1621
453 V A 0.0000
454 D A -3.6338
455 R A -3.6621
456 D A -3.4034
457 L A 0.0000
458 A A 0.0000
459 F A -2.3366
460 K A -2.3912
461 L A 0.0000
462 A A 0.0000
463 A A -1.7012
464 R A -2.0364
465 G A -1.7126
466 V A 0.0000
467 C A -1.8710
468 T A -1.3730
469 L A 0.0000
470 E A -1.5318
471 D A -1.4140
472 L A 0.0000
473 A A 0.0000
474 E A -1.3547
475 Q A -1.0099
476 G A 0.0000
477 I A -1.4876
478 D A -2.2867
479 D A -1.6394
480 L A 0.0000
481 A A -2.1602
482 D A -2.7274
483 I A 0.0000
484 E A -2.6457
485 G A -1.9299
486 L A 0.0000
487 T A -2.2373
488 D A -2.9967
489 E A -2.9057
490 K A -2.0757
491 A A 0.0000
492 G A -1.3500
493 A A -0.8390
494 L A 0.0000
495 I A 0.0000
496 M A -0.1690
497 A A -0.3358
498 A A 0.0000
499 R A 0.0000
500 N A -0.5001
501 I A 0.0895
502 C A -0.1790
503 W A -0.2637
504 F A -0.2203
505 G A -1.1303
506 D A -2.5677
507 E A -2.6329
508 A A -1.5322
509 G A -1.8622
510 S A -1.9333
511 G A -1.9477
512 E A -2.1777
513 N A -0.8644
514 L A 1.3208
515 Y A 2.0620
516 F A 2.2564
517 Q A 0.4418
518 G A -0.4257
519 M A -0.4392
520 I A 0.0000
521 E A -2.4983
522 I A 0.0000
523 I A -1.8340
524 C A 0.0000
525 N A -2.1557
526 D A 0.0000
527 R A -1.7788
528 L A -0.3323
529 G A -1.6675
530 K A -2.6484
531 K A -3.1561
532 I A -2.2134
533 R A -2.8331
534 I A 0.0000
535 K A -2.4530
536 C A 0.0000
537 N A -1.5455
538 T A -2.5153
539 D A -2.4702
540 D A -1.6385
541 T A -1.7843
542 I A 0.0000
543 G A 0.0000
544 D A -1.1595
545 L A 0.0000
546 K A 0.0000
547 K A -0.9125
548 L A -0.7408
549 I A 0.0000
550 A A 0.0000
551 A A -0.7765
552 Q A -1.4085
553 T A -0.7168
554 G A -0.6592
555 T A -0.9916
556 R A -1.3377
557 W A -1.1202
558 N A -2.0249
559 K A -1.7811
560 I A 0.0000
561 I A -0.1303
562 L A 0.0000
563 K A 0.3662
564 K A 0.3401
565 W A 1.6251
566 Y A 2.1153
567 T A 1.4517
568 I A 1.7675
569 F A 0.0000
570 K A -1.6866
571 D A -1.8175
572 H A -1.7428
573 I A -1.5759
574 S A -2.1391
575 L A 0.0000
576 G A -2.6143
577 D A -2.6289
578 Y A -1.8771
579 E A -2.8553
580 I A 0.0000
581 H A -2.5868
582 D A -2.9947
583 G A -2.0598
584 M A -1.4553
585 N A -1.6063
586 L A 0.0000
587 E A -1.1250
588 L A 0.0000
589 Y A -0.3351
590 Y A -0.3572
591 Q A -1.3265
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Laboratory of Theory of Biopolymers 2018