Project name: 877203df4c54ab0

Status: done

Started: 2026-05-13 02:01:31
Settings
Chain sequence(s) A: MILQALHGYYQRMSADPDAGMPPYGTSMENISFALVLDAKGTLRGIEDLREQEGKKLRPRKMLVPIAEKKGNGIKPNFLWENTSYILGVDAKGKQERTDKCHAAFIAHIKAYCDTADQDLAAVLQFLEHGEKDLSAFPVSEEVIGSNIVFRIEGEPGFVHERPAARQAWANCLNRREQGLCGQCLITGERQKPIAQLHPSIKGGRDGVRGAQAVASIVSFNNTAFESYGKEQSINAPVSQEAAFSYVTALNYLLNPSNRQKVTIADATVVFWAERSSPAEDIFAGMFDPPSTTAKPESSNGTPPEDSEEGSQPDTARDDPHAAARMHDLLVAIRSGKRATDIMPDMDESVRFHVLGLSPNAARLSVRFWEVDTVGHMLDKVGRHYRELEIIPQFNNEQEFPSLSTLLRQTAVLNKTENISPVLAGGLFRAMLTGGPYPQSLLPAVLGRIRAEHARPEDKSRYRLEVVTYYRAALIKAYLIRNRKLEVPVSLDPARTDRPYLLGRLFAVLEKAQEDAVPGANATIKDRYLASASANPGQVFHMLLKNASNHTAKLRKDPERKGSAIHYEIMMQEIIDNISDFPVTMSSDEQGLFMIGYYHQRKALFTKKNKEN
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                                          (00:07:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:03)
Show buried residues

Minimal score value
-4.3304
Maximal score value
1.2883
Average score
-0.993
Total score value
-607.7348

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 1.0226
2 I A 0.7662
3 L A 0.3217
4 Q A -0.3488
5 A A -0.5053
6 L A 0.0000
7 H A -0.9056
8 G A -1.4493
9 Y A 0.0000
10 Y A 0.0000
11 Q A -1.6428
12 R A -1.7740
13 M A -1.5044
14 S A -1.3828
15 A A -1.3080
16 D A -2.3043
17 P A -1.8681
18 D A -2.4726
19 A A -1.6067
20 G A -1.1638
21 M A 0.0000
22 P A 0.0000
23 P A -0.1361
24 Y A -0.0388
25 G A 0.0000
26 T A 0.3767
27 S A 0.3339
28 M A 0.2431
29 E A -0.4211
30 N A -0.9776
31 I A 0.0000
32 S A -1.4178
33 F A 0.0000
34 A A 0.0000
35 L A 0.0000
36 V A 0.0000
37 L A 0.0000
38 D A -2.0408
39 A A -1.6719
40 K A -2.1556
41 G A 0.0000
42 T A -1.9060
43 L A -1.8184
44 R A -2.1891
45 G A -1.3833
46 I A -0.7235
47 E A -1.3895
48 D A -1.6671
49 L A 0.0000
50 R A -2.0744
51 E A -2.5027
52 Q A -2.9052
53 E A -2.7463
54 G A -2.9706
55 K A -3.1184
56 K A -3.2024
57 L A -2.2040
58 R A -2.0984
59 P A -1.7878
60 R A -1.8259
61 K A -1.2587
62 M A 0.0000
63 L A 0.3498
64 V A 0.0000
65 P A 0.0000
66 I A 0.3039
67 A A -0.3816
68 E A -1.0278
69 K A -1.2812
70 K A -1.9832
71 G A -1.8309
72 N A -1.9163
73 G A -1.3738
74 I A -1.0369
75 K A -1.4167
76 P A 0.0000
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 -0.4962
83 T A 0.0000
84 S A 0.0000
85 Y A 0.0000
86 I A 0.0000
87 L A 0.0000
88 G A -1.3309
89 V A -0.9254
90 D A -1.5693
91 A A -1.5615
92 K A -2.8020
93 G A -2.7695
94 K A -4.0105
95 Q A -4.2248
96 E A -4.3304
97 R A -3.8614
98 T A 0.0000
99 D A -3.9676
100 K A -3.3265
101 C A 0.0000
102 H A -1.3496
103 A A -1.2032
104 A A -0.8638
105 F A 0.0000
106 I A -0.6313
107 A A -0.5266
108 H A -0.5310
109 I A 0.0000
110 K A -1.6960
111 A A -0.8112
112 Y A -0.9808
113 C A 0.0000
114 D A -2.4330
115 T A -1.6760
116 A A -1.1086
117 D A -1.6495
118 Q A -1.9851
119 D A -1.7066
120 L A 0.0000
121 A A -1.7067
122 A A 0.0000
123 V A 0.0000
124 L A 0.0000
125 Q A -2.2980
126 F A 0.0000
127 L A 0.0000
128 E A -2.7488
129 H A -2.6667
130 G A -2.6626
131 E A -3.0050
132 K A -2.2872
133 D A -2.4887
134 L A 0.0000
135 S A -1.0030
136 A A -0.2934
137 F A -0.4416
138 P A -0.5099
139 V A -1.0153
140 S A -1.3893
141 E A -2.4044
142 E A -2.3267
143 V A 0.0000
144 I A -0.7630
145 G A -1.0940
146 S A -0.7215
147 N A -0.6252
148 I A 0.0000
149 V A 0.0000
150 F A 0.0000
151 R A -1.4299
152 I A 0.0000
153 E A -3.0123
154 G A -2.1932
155 E A -2.5267
156 P A -1.5568
157 G A -0.9281
158 F A 0.0000
159 V A 0.0000
160 H A 0.0000
161 E A -1.3327
162 R A -1.5314
163 P A -1.5645
164 A A -1.8764
165 A A 0.0000
166 R A -2.8774
167 Q A -2.5795
168 A A 0.0000
169 W A 0.0000
170 A A -1.8916
171 N A -2.4628
172 C A 0.0000
173 L A -1.9651
174 N A -3.1459
175 R A -3.6471
176 R A -2.9760
177 E A -2.8131
178 Q A -2.5176
179 G A -1.3436
180 L A 0.2589
181 C A -0.5738
182 G A -1.4649
183 Q A -2.4899
184 C A 0.0000
185 L A 0.2203
186 I A 0.0000
187 T A -1.1431
188 G A -1.3896
189 E A -3.0450
190 R A -3.6341
191 Q A -2.6924
192 K A -2.5641
193 P A -1.6787
194 I A 0.0000
195 A A 0.0000
196 Q A -0.4551
197 L A 0.5788
198 H A 0.0000
199 P A 0.1057
200 S A 0.2240
201 I A 0.0000
202 K A -0.9487
203 G A 0.0000
204 G A -2.1622
205 R A -2.9910
206 D A -2.0776
207 G A 0.0000
208 V A 0.0000
209 R A -3.2466
210 G A -2.4478
211 A A 0.0000
212 Q A -1.5430
213 A A -0.4626
214 V A 0.9461
215 A A 0.0000
216 S A 0.0000
217 I A 0.5073
218 V A 0.3571
219 S A -0.1289
220 F A -0.8594
221 N A -1.7885
222 N A -1.8376
223 T A -1.1541
224 A A -0.0097
225 F A 0.1838
226 E A -0.9849
227 S A -0.2095
228 Y A 0.4251
229 G A -0.7948
230 K A -1.6569
231 E A -2.8217
232 Q A -1.9316
233 S A 0.0000
234 I A 0.0000
235 N A -0.9166
236 A A -0.4361
237 P A -0.2275
238 V A 0.0000
239 S A 0.0000
240 Q A -1.2812
241 E A -1.7763
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 -0.0545
249 A A 0.0000
250 L A 0.0000
251 N A -0.5321
252 Y A -0.2879
253 L A 0.0000
254 L A 0.0000
255 N A -1.5974
256 P A -1.4329
257 S A -1.0852
258 N A -1.2459
259 R A -2.3068
260 Q A -1.5819
261 K A -1.1467
262 V A 0.0000
263 T A -0.9893
264 I A 0.0000
265 A A -1.4386
266 D A -2.4623
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 -2.4938
275 R A -2.7897
276 S A -1.5202
277 S A -1.7628
278 P A -1.4361
279 A A 0.0000
280 E A -1.5991
281 D A -2.2371
282 I A 0.0000
283 F A 0.0000
284 A A 0.0000
285 G A -1.3884
286 M A 0.0000
287 F A 0.0000
288 D A -1.9999
289 P A -1.0401
290 P A -1.3728
291 S A -1.0554
292 T A -0.8477
293 T A -0.8678
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 -2.7073
311 S A -2.1006
312 Q A -2.0478
313 P A -1.6057
314 D A -1.7478
315 T A -1.5113
316 A A -1.3100
317 R A -2.1766
318 D A -2.8934
319 D A -2.3913
320 P A -1.7844
321 H A -1.8639
322 A A -1.7144
323 A A -1.5885
324 A A -1.4443
325 R A -1.6624
326 M A -1.0973
327 H A -1.5801
328 D A -1.8092
329 L A 0.0000
330 L A 0.0000
331 V A -0.8431
332 A A 0.0000
333 I A 0.0000
334 R A -2.1684
335 S A -1.7496
336 G A -2.6173
337 K A -3.4444
338 R A -3.8030
339 A A 0.0000
340 T A -2.3121
341 D A -2.8044
342 I A -1.6703
343 M A 0.0000
344 P A -1.8618
345 D A -2.3349
346 M A 0.0000
347 D A -1.7708
348 E A -1.6404
349 S A -1.1372
350 V A 0.0000
351 R A -2.2591
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 -1.9481
360 N A -1.6704
361 A A -0.9389
362 A A -0.5050
363 R A -0.8342
364 L A 0.0000
365 S A -0.5830
366 V A -0.0935
367 R A -1.5413
368 F A 0.0000
369 W A 0.0664
370 E A -0.0454
371 V A 0.1669
372 D A -0.8041
373 T A -1.3171
374 V A 0.0000
375 G A -1.9388
376 H A -2.2078
377 M A 0.0000
378 L A 0.0000
379 D A -3.4202
380 K A -2.2317
381 V A 0.0000
382 G A 0.0000
383 R A -2.5507
384 H A 0.0000
385 Y A 0.0000
386 R A -1.9113
387 E A 0.0000
388 L A 0.0000
389 E A -0.8881
390 I A 0.0000
391 I A 0.6233
392 P A -0.3072
393 Q A 0.0214
394 F A -0.1868
395 N A -1.6768
396 N A -1.9697
397 E A -1.4119
398 Q A -1.2645
399 E A -1.3583
400 F A 0.0000
401 P A 0.0000
402 S A 0.0000
403 L A 0.0000
404 S A -0.7570
405 T A -0.4923
406 L A 0.0000
407 L A 0.0000
408 R A -1.2353
409 Q A -0.3600
410 T A 0.0000
411 A A 0.0000
412 V A 1.0267
413 L A 1.2883
414 N A 0.0000
415 K A -1.1450
416 T A -1.7219
417 E A -2.4944
418 N A -1.3972
419 I A 0.0000
420 S A -0.4234
421 P A -0.1414
422 V A 1.1653
423 L A 0.0000
424 A A 0.0000
425 G A -0.5893
426 G A -0.5705
427 L A 0.0000
428 F A 0.0000
429 R A -1.6683
430 A A 0.0000
431 M A 0.0000
432 L A 0.0000
433 T A -0.9418
434 G A -1.2013
435 G A -0.6357
436 P A -0.9232
437 Y A 0.0000
438 P A -0.7309
439 Q A -1.4082
440 S A -0.5863
441 L A 0.0000
442 L A 0.0000
443 P A -0.6205
444 A A -0.4972
445 V A 0.0000
446 L A 0.0000
447 G A -0.4960
448 R A -0.3951
449 I A 0.0000
450 R A -1.1586
451 A A -0.6414
452 E A -1.0530
453 H A -2.1249
454 A A -1.8951
455 R A -3.5227
456 P A -3.2749
457 E A -3.7126
458 D A -4.0819
459 K A -3.8434
460 S A -2.6648
461 R A -2.3662
462 Y A -0.7657
463 R A -2.1508
464 L A -0.3580
465 E A -0.3189
466 V A 0.0000
467 V A 0.0000
468 T A 0.0092
469 Y A 0.0000
470 Y A -0.2430
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 -1.1009
481 R A 0.0000
482 N A -1.5490
483 R A -2.3939
484 K A -2.4965
485 L A -1.6197
486 E A -1.9319
487 V A 0.0000
488 P A 0.1184
489 V A 0.9293
490 S A 0.5800
491 L A 0.1813
492 D A -0.4914
493 P A -0.7348
494 A A -0.5599
495 R A -0.8928
496 T A -1.0880
497 D A -1.3970
498 R A -1.3672
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 -0.1416
512 A A 0.0000
513 Q A -0.8398
514 E A -0.6796
515 D A -0.9376
516 A A 0.0000
517 V A -0.2194
518 P A -0.5623
519 G A -0.8485
520 A A -0.8198
521 N A -1.3953
522 A A -1.2795
523 T A -0.8808
524 I A 0.0000
525 K A 0.0000
526 D A -1.6667
527 R A -2.0581
528 Y A -0.8774
529 L A 0.0000
530 A A -0.6204
531 S A -0.7861
532 A A 0.0000
533 S A 0.0000
534 A A -0.3879
535 N A -0.4969
536 P A 0.0000
537 G A -0.5040
538 Q A -1.1598
539 V A 0.0000
540 F A 0.0000
541 H A -1.2762
542 M A -0.9211
543 L A 0.0000
544 L A -1.1000
545 K A -2.3210
546 N A -1.9772
547 A A 0.0000
548 S A -1.8565
549 N A -2.5097
550 H A -1.8652
551 T A 0.0000
552 A A -2.1735
553 K A -3.0835
554 L A 0.0000
555 R A -3.4369
556 K A -3.4913
557 D A -3.1133
558 P A -2.6308
559 E A -3.1972
560 R A -3.2786
561 K A -3.4373
562 G A -1.8867
563 S A -1.3138
564 A A 0.0000
565 I A -0.0136
566 H A -0.3510
567 Y A 0.0000
568 E A -0.2151
569 I A 0.6010
570 M A -0.2387
571 M A 0.0000
572 Q A -2.0195
573 E A -2.6339
574 I A 0.0000
575 I A -1.6801
576 D A -3.0048
577 N A -2.7961
578 I A -1.7779
579 S A -1.3391
580 D A -1.2562
581 F A -0.4747
582 P A 0.1403
583 V A 1.1079
584 T A 0.2152
585 M A 0.0000
586 S A -0.6711
587 S A -0.6445
588 D A -0.9936
589 E A -1.1299
590 Q A -0.7195
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 0.4273
603 A A 0.1948
604 L A 0.5593
605 F A 1.2596
606 T A -0.5737
607 K A -2.6323
608 K A -3.6399
609 N A -4.1358
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