Project name: 206665ee814715c

Status: done

Started: 2026-05-13 10:03:30
Settings
Chain sequence(s) A: MILQALHGYYQRMSADPDAGMPPYGTSMENISFALVLDAKGTLRGIEDLREQEGKKLRPRKMLVPIAEKKGNGIKPNFLWENTSYILGVDAKGKQERTDKCHAAFIAHIKAYCDTADQDLAAVLQFLEHGEKDLSAFPVSEEVIGSNIVFRIEGEPGFVHERPAARQAWANCLNRREQGLCGQCLITGERQKPIAQLHPSIKGGRDGVRGAQAVASIVSFNNTAFESYGKEQSINAPVSQEAAFSYVTALNYLLNPSNRQKVTIADATVVFWAERSSPAEDIFAGMFDPPSTTAKPESSNGTPPEDSEEGSQPDTARDDPHAAARMHDLLVAIRSGKRATDIMPDMDESVRFHVLGLSPNAARLSVRFWEVDTVGHMLDKVGRHYRELEIIPQFNNEQEFPSLSTLLRQTAVLNKTENISPVLAGGLFRAMLTGGPYPQSLLPAVLGRIRAEHARPEDKSRYRLEVVTYYRAALIKAYLIRNRKLEVPVSLDPARTDRPYLLGRLFAVLEKAQEDAVPGANATIKDRYLASASANPGQVFHMLLKNASNHTAKLRKDPERKGSAIHYEIMMQEIIDNISDFPVTMSSDEQGLFMIGYYHQRKALFTKKNKEN
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
-4.3402
Maximal score value
1.3196
Average score
-0.9731
Total score value
-595.5651

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 1.0741
2 I A 0.8135
3 L A 0.4705
4 Q A -0.1399
5 A A -0.4483
6 L A 0.0000
7 H A -0.8209
8 G A -1.3401
9 Y A 0.0000
10 Y A 0.0000
11 Q A -1.6108
12 R A -1.7495
13 M A -1.4596
14 S A -1.3162
15 A A -1.2457
16 D A -2.1551
17 P A -1.7933
18 D A -2.4239
19 A A -1.5628
20 G A -1.1460
21 M A 0.0000
22 P A 0.0000
23 P A -0.0396
24 Y A 0.1361
25 G A 0.0000
26 T A 0.4268
27 S A 0.3193
28 M A 0.1064
29 E A -0.6115
30 N A -1.4360
31 I A 0.0000
32 S A 0.0000
33 F A 0.0000
34 A A 0.0000
35 L A 0.0000
36 V A -1.2173
37 L A 0.0000
38 D A -1.9544
39 A A -1.6419
40 K A -2.0991
41 G A 0.0000
42 T A -1.8208
43 L A -1.7405
44 R A -2.0836
45 G A -1.2126
46 I A -0.4925
47 E A -1.0385
48 D A -1.5665
49 L A 0.0000
50 R A -2.5873
51 E A -3.5127
52 Q A -3.4438
53 E A -3.3686
54 G A -3.2325
55 K A -3.1477
56 K A -3.2813
57 L A -2.1905
58 R A -2.7240
59 P A -2.3337
60 R A -2.3735
61 K A -1.6699
62 M A 0.0000
63 L A 0.2947
64 V A 0.0000
65 P A 0.0000
66 I A 0.3106
67 A A -0.3850
68 E A -1.0252
69 K A -1.1424
70 K A -1.8616
71 G A -1.7544
72 N A -1.8564
73 G A -1.2772
74 I A -1.0129
75 K A -1.3365
76 P A -0.6205
77 N A 0.0000
78 F A 0.0000
79 L A 0.0000
80 W A 0.0000
81 E A 0.0000
82 N A -0.3707
83 T A 0.0000
84 S A -1.0917
85 Y A 0.0000
86 I A 0.0000
87 L A 0.0000
88 G A -1.0942
89 V A -0.5252
90 D A -1.2829
91 A A -1.3967
92 K A -2.7837
93 G A -2.7605
94 K A -4.0210
95 Q A -4.1498
96 E A -4.3138
97 R A -3.9865
98 T A 0.0000
99 D A -3.5991
100 K A -3.0922
101 C A 0.0000
102 H A -1.0714
103 A A -0.9408
104 A A -0.7792
105 F A 0.0000
106 I A -0.4061
107 A A -0.4704
108 H A -0.5833
109 I A 0.0000
110 K A -1.8596
111 A A -0.8862
112 Y A -0.9855
113 C A 0.0000
114 D A -2.4704
115 T A -1.6906
116 A A -1.1236
117 D A -1.6694
118 Q A -2.0093
119 D A -1.6800
120 L A 0.0000
121 A A -1.6621
122 A A 0.0000
123 V A 0.0000
124 L A 0.0000
125 Q A -1.6506
126 F A 0.0000
127 L A 0.0000
128 E A -1.5600
129 H A -2.0496
130 G A -2.3016
131 E A -2.8507
132 K A -2.1929
133 D A -2.4300
134 L A 0.0000
135 S A -0.9793
136 A A -0.2757
137 F A -0.4035
138 P A -0.4943
139 V A -0.9164
140 S A -1.3211
141 E A -2.3524
142 E A -2.3486
143 V A 0.0000
144 I A -0.3675
145 G A -0.8776
146 S A -0.6630
147 N A -0.6209
148 I A 0.0000
149 V A 0.0000
150 F A 0.0000
151 R A -1.2354
152 I A 0.0000
153 E A -2.8065
154 G A -1.9593
155 E A -2.0829
156 P A -1.3682
157 G A -0.8675
158 F A 0.0000
159 V A 0.0000
160 H A 0.0000
161 E A -1.3622
162 R A -1.5515
163 P A -1.5670
164 A A -1.8857
165 A A 0.0000
166 R A -2.8642
167 Q A -2.5402
168 A A 0.0000
169 W A 0.0000
170 A A -1.7919
171 N A -2.3011
172 C A 0.0000
173 L A -1.8249
174 N A -3.0365
175 R A -3.5308
176 R A -2.7803
177 E A -2.5659
178 Q A -2.3385
179 G A -1.1480
180 L A 0.7364
181 C A -0.1787
182 G A -1.0933
183 Q A -2.1240
184 C A 0.0000
185 L A 0.7065
186 I A 0.0000
187 T A -0.8764
188 G A -1.1034
189 E A -2.5472
190 R A -3.3119
191 Q A -2.4291
192 K A -2.2315
193 P A -1.4661
194 I A 0.0000
195 A A 0.0000
196 Q A -0.9122
197 L A 0.2342
198 H A 0.0000
199 P A 0.0546
200 S A 0.3084
201 I A 0.0000
202 K A -0.6533
203 G A 0.0000
204 G A -2.1266
205 R A -2.9142
206 D A -1.8963
207 G A 0.0000
208 V A 0.0000
209 R A -2.9982
210 G A -2.2501
211 A A 0.0000
212 Q A -1.5072
213 A A -0.4015
214 V A 1.0546
215 A A 0.0000
216 S A 0.0000
217 I A 0.4988
218 V A 0.3742
219 S A -0.1637
220 F A -0.7902
221 N A -1.7511
222 N A -1.8184
223 T A -1.1627
224 A A -0.0377
225 F A 0.1173
226 E A -0.9328
227 S A -0.2604
228 Y A 0.3426
229 G A -0.8647
230 K A -1.7564
231 E A -2.8393
232 Q A -1.8995
233 S A 0.0000
234 I A -0.7823
235 N A -0.8547
236 A A -0.2807
237 P A 0.0230
238 V A 0.0000
239 S A 0.0000
240 Q A -1.2445
241 E A -1.7604
242 A A 0.0000
243 A A 0.0000
244 F A 0.0000
245 S A 0.0000
246 Y A 0.0000
247 V A 0.0000
248 T A 0.0269
249 A A 0.0000
250 L A 0.0000
251 N A -0.2784
252 Y A -0.1280
253 L A 0.0000
254 L A 0.0000
255 N A -1.1335
256 P A -1.1537
257 S A -0.8175
258 N A -0.7752
259 R A -1.3966
260 Q A -1.0936
261 K A -0.7681
262 V A 0.0000
263 T A -0.6468
264 I A 0.0000
265 A A -0.8710
266 D A -1.2615
267 A A 0.0000
268 T A 0.0000
269 V A 0.0000
270 V A 0.0000
271 F A 0.0000
272 W A 0.0000
273 A A 0.0000
274 E A -2.6037
275 R A -2.7842
276 S A -1.4838
277 S A -1.7525
278 P A -1.3853
279 A A 0.0000
280 E A -1.4717
281 D A -2.0769
282 I A 0.0000
283 F A 0.0000
284 A A 0.0000
285 G A 0.0000
286 M A 0.0000
287 F A 0.0000
288 D A -1.1927
289 P A -0.7341
290 P A -1.2856
291 S A -1.0086
292 T A -0.9113
293 T A -0.8680
294 A A -1.1796
295 K A -2.4117
296 P A -2.0602
297 E A -2.7428
298 S A -2.0680
299 S A -1.5507
300 N A -1.9314
301 G A -1.3044
302 T A -1.0201
303 P A -1.4117
304 P A -1.8973
305 E A -3.3914
306 D A -3.6163
307 S A -3.1880
308 E A -3.6863
309 E A -3.7362
310 G A -2.7895
311 S A -2.1922
312 Q A -2.1594
313 P A -1.7482
314 D A -1.9996
315 T A -1.6226
316 A A -1.4121
317 R A -2.3266
318 D A -2.9155
319 D A -2.1872
320 P A -1.8138
321 H A -2.0249
322 A A -1.9792
323 A A -1.8258
324 A A -1.8293
325 R A -2.4650
326 M A -1.4127
327 H A -1.7481
328 D A -1.8703
329 L A 0.0000
330 L A 0.0000
331 V A -0.7475
332 A A 0.0000
333 I A 0.0000
334 R A -1.9719
335 S A -1.6644
336 G A -2.5254
337 K A -3.3668
338 R A -3.6937
339 A A 0.0000
340 T A -2.0550
341 D A -2.5133
342 I A -1.2193
343 M A -1.3436
344 P A -1.6324
345 D A -2.1897
346 M A 0.0000
347 D A -1.6534
348 E A -1.6466
349 S A -1.1747
350 V A 0.0000
351 R A -2.5348
352 F A 0.0000
353 H A 0.0000
354 V A 0.0000
355 L A 0.0000
356 G A 0.0000
357 L A 0.0000
358 S A 0.0000
359 P A -1.7563
360 N A -1.6721
361 A A -0.9294
362 A A -0.4894
363 R A -0.8021
364 L A 0.0000
365 S A -0.5767
366 V A -0.1092
367 R A -1.3435
368 F A 0.0000
369 W A 0.0035
370 E A -0.1554
371 V A 0.0961
372 D A -0.8632
373 T A -1.4166
374 V A 0.0000
375 G A -1.9387
376 H A -2.2146
377 M A 0.0000
378 L A 0.0000
379 D A -3.2746
380 K A -2.0161
381 V A 0.0000
382 G A 0.0000
383 R A -2.0671
384 H A 0.0000
385 Y A 0.0000
386 R A -1.7198
387 E A 0.0000
388 L A 0.0000
389 E A -0.9129
390 I A 0.0000
391 I A 0.4292
392 P A -0.5196
393 Q A -0.0682
394 F A -0.2580
395 N A -1.7997
396 N A -2.1050
397 E A -1.6284
398 Q A -1.5979
399 E A -1.6978
400 F A -0.7974
401 P A 0.0000
402 S A -0.4266
403 L A 0.0000
404 S A -0.5216
405 T A -0.3975
406 L A 0.0000
407 L A 0.0000
408 R A -1.1365
409 Q A 0.0000
410 T A -0.2376
411 A A 0.0000
412 V A 0.8461
413 L A 1.0902
414 N A -0.3722
415 K A -1.4725
416 T A -1.7405
417 E A -2.4922
418 N A -1.6399
419 I A 0.0000
420 S A -0.2913
421 P A 0.1601
422 V A 1.3196
423 L A 0.0000
424 A A 0.0000
425 G A -0.5099
426 G A -0.7183
427 L A 0.0000
428 F A 0.0000
429 R A -2.0878
430 A A 0.0000
431 M A 0.0000
432 L A 0.0000
433 T A -1.0338
434 G A -1.1088
435 G A -0.6693
436 P A -0.8852
437 Y A 0.0000
438 P A -0.7785
439 Q A -1.3986
440 S A -0.5893
441 L A 0.0000
442 L A 0.0000
443 P A -0.5715
444 A A -0.4976
445 V A 0.0000
446 L A 0.0000
447 G A -0.5868
448 R A -0.5676
449 I A 0.0000
450 R A -1.6835
451 A A -0.9329
452 E A -1.3000
453 H A -2.2791
454 A A -1.9756
455 R A -3.6253
456 P A -3.3688
457 E A -3.8588
458 D A -4.3402
459 K A -3.9442
460 S A -2.6634
461 R A -2.2713
462 Y A -0.4962
463 R A -2.0610
464 L A -0.3275
465 E A -0.3025
466 V A 0.0000
467 V A 0.0000
468 T A 0.0373
469 Y A 0.0000
470 Y A -0.2591
471 R A 0.0000
472 A A 0.0000
473 A A 0.0000
474 L A 0.0000
475 I A 0.0000
476 K A 0.0000
477 A A 0.0000
478 Y A 0.0000
479 L A 0.0000
480 I A -0.9139
481 R A 0.0000
482 N A -1.2545
483 R A -1.9226
484 K A -2.2425
485 L A -1.4177
486 E A -1.8926
487 V A 0.0000
488 P A -0.0653
489 V A 0.5223
490 S A 0.3774
491 L A 0.1365
492 D A -0.5072
493 P A -0.7154
494 A A -0.5626
495 R A -0.9267
496 T A -1.1518
497 D A -1.4827
498 R A -1.4353
499 P A 0.0000
500 Y A 0.0000
501 L A 0.0000
502 L A 0.0000
503 G A 0.0000
504 R A 0.0000
505 L A 0.0000
506 F A 0.0000
507 A A 0.0000
508 V A 0.0000
509 L A 0.0000
510 E A 0.0000
511 K A -0.1469
512 A A 0.0000
513 Q A -0.8023
514 E A -0.6609
515 D A -0.8876
516 A A 0.0000
517 V A -0.2578
518 P A -0.5621
519 G A -0.8534
520 A A -0.8300
521 N A -1.4116
522 A A -1.3022
523 T A -0.9028
524 I A 0.0000
525 K A 0.0000
526 D A -1.7860
527 R A -2.1022
528 Y A -0.8408
529 L A 0.0000
530 A A -0.6971
531 S A -0.7128
532 A A 0.0000
533 S A 0.0000
534 A A -0.1699
535 N A -0.1450
536 P A 0.0000
537 G A -0.3959
538 Q A -1.0966
539 V A 0.0000
540 F A 0.0000
541 H A -1.4355
542 M A -0.9494
543 L A 0.0000
544 L A -1.1219
545 K A -2.2693
546 N A -1.7735
547 A A 0.0000
548 S A -1.7901
549 N A -2.4777
550 H A -1.8714
551 T A 0.0000
552 A A -2.2845
553 K A -3.3056
554 L A 0.0000
555 R A -3.9256
556 K A -3.8637
557 D A -3.6171
558 P A -2.9579
559 E A -3.4760
560 R A -3.6533
561 K A -3.8484
562 G A -1.9848
563 S A -1.3110
564 A A 0.0000
565 I A 0.3729
566 H A -0.0468
567 Y A 0.0000
568 E A 0.0833
569 I A 0.9069
570 M A -0.0769
571 M A 0.0000
572 Q A -1.9753
573 E A -2.6102
574 I A 0.0000
575 I A -1.7054
576 D A -3.0471
577 N A -2.8557
578 I A -1.7804
579 S A -1.2644
580 D A -1.0555
581 F A -0.3384
582 P A 0.0000
583 V A 1.2553
584 T A 0.3899
585 M A 0.0000
586 S A -0.5564
587 S A -0.5538
588 D A -0.8147
589 E A -0.9522
590 Q A 0.0000
591 G A 0.0000
592 L A 0.0000
593 F A 0.0000
594 M A 0.0000
595 I A 0.0000
596 G A 0.0000
597 Y A 0.0000
598 Y A 0.0000
599 H A 0.0000
600 Q A 0.0000
601 R A 0.0000
602 K A 0.4183
603 A A 0.2054
604 L A 0.5617
605 F A 1.2518
606 T A -0.5881
607 K A -2.6371
608 K A -3.6426
609 N A -4.1382
610 K A -4.2998
611 E A -3.9009
612 N A -2.8184
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Laboratory of Theory of Biopolymers 2018