Project name: 8cdbe9529766f19

Status: done

Started: 2026-03-21 08:58:00
Settings
Chain sequence(s) A: TIPPHVQKSVNNDMIVTDNNGAVKFPQLCKFCDVRFSTCDNQKSCMSNCSITSICEKPQEVCVAVWRKNDENITLETVCHDPKLPYHDFILEDAASPKCIMKEKKKPGETFFMCSCSSDECNDNIIFSEEYNTSNPDLLLVIFQGGGGSGGGGSGGGGSQVQLVESGGGLVQPGGSLRLSCAASGFTFSNYYMSWVRQAPGKGLEWVSGIRSDGGSTYYADSVKGRFTISRDNAKSTLYLQMNSLKPEDTALYYCAKGTTLVPFDYWGQGTQVTVSSGGGGSGGGGSGGGGSASTKGPSVFPLAPSSKSTSGGTAALGCLVKDYFPEPVTVSWNSGALTSGVHTFPAVLQSSGLYSLSSVVTVPSSSLGTQTYICNVNHKPSNTKVDKRVESKYGPPCPPCPAPEFEGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPSRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPMLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGGGGGSGGGGSGGGGSEVQLVESGGGLVQPGDSLRLSCAASGRAFSSYAMGWFRQAPGKEREFVAAIGWGGSKTNYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYSCAAKFVNTDSTWSRSEYYDYWGQGTQVTVSSMEGISIYTSDNYTEEMGSGDYDSMKEPCFREENANFNK
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:15:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:16)
Show buried residues

Minimal score value
-3.8012
Maximal score value
2.0578
Average score
-0.7899
Total score value
-629.542

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 T A 0.8517
2 I A 1.9842
3 P A 0.4043
4 P A -0.5850
5 H A -1.1642
6 V A -1.1392
7 Q A -1.6726
8 K A -1.9141
9 S A -0.8568
10 V A -0.2582
11 N A -1.4004
12 N A -1.8921
13 D A -1.7713
14 M A 0.0357
15 I A 1.8832
16 V A 1.0897
17 T A 0.1364
18 D A -1.9057
19 N A -2.2829
20 N A -2.1817
21 G A -1.4613
22 A A -0.3289
23 V A 1.5448
24 K A 0.5475
25 F A 2.0578
26 P A 0.0000
27 Q A -0.6321
28 L A -0.2126
29 C A 0.0000
30 K A -0.8611
31 F A 0.0000
32 C A 0.0000
33 D A -0.9854
34 V A -0.7331
35 R A -1.9166
36 F A -1.2417
37 S A -1.0986
38 T A -1.0083
39 C A -1.1903
40 D A -1.7811
41 N A -0.8881
42 Q A -0.3875
43 K A -0.3976
44 S A -0.6080
45 C A 0.0000
46 M A -0.5913
47 S A -0.3491
48 N A 0.0515
49 C A 0.0000
50 S A -0.1756
51 I A 0.2309
52 T A -0.0401
53 S A 0.0448
54 I A 0.2815
55 C A 0.0000
56 E A -1.6612
57 K A -1.9432
58 P A -0.9869
59 Q A -1.6649
60 E A -1.2603
61 V A 0.0000
62 C A 0.0000
63 V A 0.0000
64 A A 0.0000
65 V A 0.0000
66 W A 0.0000
67 R A -1.4131
68 K A -2.1030
69 N A -2.7944
70 D A -3.2877
71 E A -3.1305
72 N A -2.3418
73 I A -1.7594
74 T A -1.2449
75 L A 0.0000
76 E A -0.9544
77 T A 0.0000
78 V A 0.0469
79 C A -0.2591
80 H A -0.6090
81 D A -0.8584
82 P A -0.9187
83 K A -0.9812
84 L A 0.3984
85 P A 0.0075
86 Y A -0.2807
87 H A -1.0535
88 D A -1.5313
89 F A -0.1035
90 I A 0.6014
91 L A 0.0000
92 E A -2.3202
93 D A -2.7124
94 A A -1.5618
95 A A -1.0571
96 S A -1.2673
97 P A -1.3293
98 K A -2.0475
99 C A 0.0000
100 I A -0.6455
101 M A 0.0000
102 K A -1.9188
103 E A -1.7495
104 K A -1.9386
105 K A -2.6310
106 K A -2.1348
107 P A -1.2316
108 G A -1.5077
109 E A -1.9629
110 T A -1.9620
111 F A 0.0000
112 F A 0.0000
113 M A 0.0000
114 C A 0.0000
115 S A 0.0000
116 C A 0.0000
117 S A -1.2328
118 S A -1.4639
119 D A -2.2074
120 E A -2.3759
121 C A 0.0000
122 N A 0.0000
123 D A -2.5705
124 N A -1.9527
125 I A -0.4912
126 I A -0.2570
127 F A 0.0000
128 S A -1.7832
129 E A -3.0381
130 E A -3.1722
131 Y A -2.1754
132 N A -2.6259
133 T A -1.6754
134 S A -1.5956
135 N A -1.4436
136 P A -1.3018
137 D A -1.6206
138 L A -0.4042
139 L A 0.2474
140 L A 0.5132
141 V A 0.8906
142 I A 0.8318
143 F A 0.7941
144 Q A -0.9291
145 G A -0.8656
146 G A -0.8871
147 G A -0.8408
148 G A -1.2535
149 S A -0.9654
150 G A -1.1180
151 G A -1.2208
152 G A -1.1392
153 G A -1.2618
154 S A -1.0689
155 G A -1.2011
156 G A -0.9928
157 G A -0.8254
158 G A -0.1784
159 S A -0.6787
160 Q A -0.7119
161 V A -0.1841
162 Q A -0.9469
163 L A 0.0000
164 V A 1.0153
165 E A 0.0453
166 S A -0.3480
167 G A -0.9117
168 G A -0.7502
169 G A 0.2227
170 L A 1.0651
171 V A -0.1276
172 Q A -1.4561
173 P A -1.9041
174 G A -1.4493
175 G A -1.1135
176 S A -1.2760
177 L A -1.1461
178 R A -2.1905
179 L A 0.0000
180 S A -0.4436
181 C A 0.0000
182 A A 0.0229
183 A A 0.0000
184 S A -0.7276
185 G A -0.7831
186 F A -0.2616
187 T A -0.7790
188 F A 0.0000
189 S A -1.5530
190 N A -1.5842
191 Y A -0.6812
192 Y A -0.4222
193 M A 0.0000
194 S A 0.0000
195 W A 0.0000
196 V A 0.0000
197 R A 0.0000
198 Q A -0.5381
199 A A -1.1830
200 P A -0.9699
201 G A -1.5321
202 K A -2.3939
203 G A -1.2054
204 L A 0.4992
205 E A -0.4486
206 W A 0.3066
207 V A 0.0000
208 S A 0.0000
209 G A 0.0000
210 I A 0.0000
211 R A -1.7304
212 S A -1.8845
213 D A -2.6133
214 G A -1.9741
215 G A -1.3413
216 S A -0.9155
217 T A -0.3249
218 Y A 0.0969
219 Y A -0.4316
220 A A -1.2252
221 D A -2.5104
222 S A -1.6293
223 V A 0.0000
224 K A -2.6362
225 G A -1.8563
226 R A -1.6790
227 F A 0.0000
228 T A -0.8509
229 I A 0.0000
230 S A -0.4691
231 R A -0.9647
232 D A -1.4998
233 N A -2.0053
234 A A -1.5253
235 K A -2.1928
236 S A -1.5047
237 T A 0.0000
238 L A 0.0000
239 Y A -0.6299
240 L A 0.0000
241 Q A -1.4195
242 M A 0.0000
243 N A -1.7112
244 S A -1.3994
245 L A 0.0000
246 K A -2.4115
247 P A -1.9591
248 E A -2.3245
249 D A 0.0000
250 T A -0.8198
251 A A 0.0000
252 L A 0.0000
253 Y A 0.0000
254 Y A 0.0053
255 C A 0.0000
256 A A 0.0000
257 K A 0.0000
258 G A 0.0000
259 T A 0.3532
260 T A 0.6231
261 L A 1.7620
262 V A 0.0000
263 P A 0.3229
264 F A 0.6073
265 D A 0.3099
266 Y A 0.4471
267 W A 0.4054
268 G A -0.1310
269 Q A -0.9954
270 G A -0.5528
271 T A 0.0000
272 Q A -0.3283
273 V A 0.0000
274 T A -0.1134
275 V A 0.0000
276 S A -0.8150
277 S A -1.3595
278 G A -1.5638
279 G A -1.3164
280 G A -1.2055
281 G A -1.3028
282 S A -1.1087
283 G A -1.1133
284 G A -1.2068
285 G A -1.2207
286 G A -1.0985
287 S A -1.0279
288 G A -1.1316
289 G A -1.1823
290 G A -1.1134
291 G A -0.8214
292 S A -0.5325
293 A A -0.2601
294 S A -0.6312
295 T A -0.9926
296 K A -1.5307
297 G A -1.6554
298 P A 0.0000
299 S A -0.5435
300 V A 0.0000
301 F A 1.0545
302 P A 0.1737
303 L A 0.7505
304 A A -0.0080
305 P A -0.1849
306 S A -0.5776
307 S A -0.9200
308 K A -1.9908
309 S A -1.2347
310 T A -1.0536
311 S A -1.0697
312 G A -0.9695
313 G A -0.7674
314 T A -0.5686
315 A A 0.0000
316 A A 0.0236
317 L A 0.0000
318 G A 0.0000
319 C A 0.0000
320 L A 0.6153
321 V A 0.0000
322 K A -0.8065
323 D A -1.9265
324 Y A 0.0000
325 F A -0.4406
326 P A -0.5533
327 E A -0.7064
328 P A -0.9046
329 V A -0.5447
330 T A -0.4586
331 V A -0.3571
332 S A -0.4710
333 W A 0.0000
334 N A -1.6566
335 S A -0.8120
336 G A -0.7269
337 A A -0.3343
338 L A -0.0392
339 T A -0.2001
340 S A -0.1817
341 G A 0.2843
342 V A 0.9610
343 H A 0.0877
344 T A 0.3970
345 F A 0.9863
346 P A 0.6508
347 A A 1.0391
348 V A 1.9257
349 L A 0.7464
350 Q A -0.4725
351 S A -0.6861
352 S A -0.7299
353 G A -0.4718
354 L A -0.4148
355 Y A 0.0000
356 S A 0.0000
357 L A 0.6160
358 S A 0.6984
359 S A 0.0000
360 V A 0.7195
361 V A 0.0000
362 T A 0.1337
363 V A 0.0000
364 P A -0.5371
365 S A -0.5638
366 S A -0.5663
367 S A -0.4295
368 L A -0.8909
369 G A -1.4006
370 T A -0.6858
371 Q A -0.8108
372 T A -1.2410
373 Y A 0.0000
374 I A -1.6937
375 C A 0.0000
376 N A -1.7871
377 V A 0.0000
378 N A -2.1146
379 H A 0.0000
380 K A -2.7031
381 P A -1.5658
382 S A -1.8505
383 N A -2.5444
384 T A -2.3497
385 K A -2.9214
386 V A -1.9887
387 D A -2.9344
388 K A -2.3118
389 R A -2.9045
390 V A 0.0000
391 E A -2.7789
392 S A -1.9457
393 K A -2.1607
394 Y A -0.8882
395 G A -0.8650
396 P A -0.5977
397 P A -0.1332
398 C A 0.3514
399 P A -0.0379
400 P A -0.0379
401 C A 0.3865
402 P A -0.4671
403 A A -0.7628
404 P A -1.0944
405 E A -1.4848
406 F A -0.2181
407 E A -1.6335
408 G A -1.1445
409 G A -1.0442
410 P A -0.3223
411 S A 0.0105
412 V A 0.0000
413 F A 1.8202
414 L A 1.4473
415 F A 1.4116
416 P A -0.1451
417 P A 0.0000
418 K A -2.5597
419 P A -1.7846
420 K A -2.3337
421 D A -2.1260
422 T A 0.0000
423 L A -0.1925
424 M A 0.4282
425 I A 1.3510
426 S A 0.0100
427 R A -1.5363
428 T A -0.7476
429 P A 0.0000
430 E A -2.0630
431 V A 0.0000
432 T A -0.0325
433 C A 0.0000
434 V A 0.0000
435 V A 0.0000
436 V A -0.4111
437 D A -0.9606
438 V A 0.0000
439 S A -1.8555
440 H A -2.1902
441 E A -2.7470
442 D A -2.4825
443 P A -2.3664
444 E A -2.9153
445 V A -1.8548
446 K A -2.3198
447 F A -1.2692
448 N A -1.0605
449 W A 0.0000
450 Y A -0.7182
451 V A -0.9481
452 D A -2.2311
453 G A -0.9263
454 V A 0.5341
455 E A -0.6821
456 V A -0.5545
457 H A -1.8656
458 N A -2.1585
459 A A -1.9212
460 K A -2.4984
461 T A -1.6553
462 K A -1.6350
463 P A -1.6436
464 R A -2.0757
465 E A -2.7507
466 E A -2.8176
467 Q A -1.6084
468 Y A -0.1130
469 N A -1.0614
470 S A -1.2506
471 T A -1.5962
472 Y A -1.7777
473 R A -1.6585
474 V A 0.0000
475 V A 0.0000
476 S A 0.0000
477 V A 0.0000
478 L A 0.0000
479 T A -1.1898
480 V A 0.0000
481 L A 0.2004
482 H A -0.3779
483 Q A -1.2500
484 D A -1.1262
485 W A 0.0000
486 L A -0.7016
487 N A -2.0425
488 G A -2.0965
489 K A -2.5023
490 E A -2.4834
491 Y A 0.0000
492 K A -1.3326
493 C A 0.0000
494 K A -1.1013
495 V A 0.0000
496 S A -1.4366
497 N A -1.7874
498 K A -2.3536
499 A A -1.3453
500 L A -0.6034
501 P A -0.4627
502 A A -0.3051
503 P A -0.4829
504 I A -0.1679
505 E A -1.1846
506 K A -0.7303
507 T A -0.4378
508 I A 0.0584
509 S A -1.0914
510 K A -1.2570
511 A A -1.3955
512 K A -2.4662
513 G A -2.0929
514 Q A -2.1219
515 P A -2.0246
516 R A -2.6944
517 E A -2.7138
518 P A 0.0000
519 Q A -1.6094
520 V A -0.6020
521 Y A 0.2172
522 T A 0.3484
523 L A 0.8622
524 P A 0.0857
525 P A -0.6478
526 S A -1.5800
527 R A -2.8576
528 D A -2.8569
529 E A -2.3422
530 L A -1.9021
531 T A -1.8576
532 K A -2.7057
533 N A -2.7670
534 Q A -2.5931
535 V A 0.0000
536 S A -0.7361
537 L A 0.0000
538 W A 0.6924
539 C A 0.0000
540 L A 0.6455
541 V A 0.0000
542 K A -0.6615
543 G A -1.3579
544 F A 0.0000
545 Y A -0.7211
546 P A -0.7662
547 S A 0.1347
548 D A 0.0000
549 I A 0.0000
550 A A -0.4767
551 V A 0.0000
552 E A -1.7678
553 W A 0.0000
554 E A -1.8613
555 S A 0.0000
556 N A -1.8122
557 G A -1.7282
558 Q A -2.1602
559 P A -2.0247
560 E A -2.0088
561 N A -2.2115
562 N A -1.5627
563 Y A -0.9337
564 K A -0.7237
565 T A -0.0984
566 T A 0.1374
567 P A 0.1039
568 P A 0.4685
569 M A 1.0613
570 L A 1.1257
571 D A -0.4896
572 S A -1.3366
573 D A -2.3354
574 G A -1.2635
575 S A 0.0000
576 F A 0.5123
577 F A 0.5862
578 L A 0.0000
579 Y A 0.7527
580 S A 0.0000
581 K A 0.0000
582 L A 0.0000
583 T A -1.1471
584 V A 0.0000
585 D A -2.7780
586 K A -2.8745
587 S A -2.3179
588 R A -2.0825
589 W A 0.0000
590 Q A -2.6280
591 Q A -2.3162
592 G A -1.5425
593 N A -0.9402
594 V A -0.0978
595 F A 0.0000
596 S A -1.2134
597 C A 0.0000
598 S A 0.0000
599 V A 0.0000
600 M A -0.3249
601 H A 0.0000
602 E A -0.9564
603 A A -1.5184
604 L A -1.3545
605 H A -1.6843
606 N A -1.8629
607 H A -1.3319
608 Y A 0.0543
609 T A -0.7289
610 Q A -1.3537
611 K A -1.2514
612 S A -0.7268
613 L A 0.0000
614 S A 0.3013
615 L A 0.5105
616 S A -0.3985
617 P A -1.1559
618 G A -1.1725
619 G A -1.0912
620 G A -1.4248
621 G A -1.3050
622 G A -1.3491
623 S A -1.1227
624 G A -1.1562
625 G A -1.2096
626 G A -1.1678
627 G A -1.1920
628 S A -1.0383
629 G A -1.0961
630 G A -1.4282
631 G A -1.5225
632 G A -1.5470
633 S A -2.0110
634 E A -2.5534
635 V A -1.4753
636 Q A -1.3325
637 L A -0.2719
638 V A 0.5836
639 E A -0.2701
640 S A -0.4157
641 G A -1.0598
642 G A -0.8924
643 G A -0.1483
644 L A 0.9833
645 V A 0.0000
646 Q A -0.3754
647 P A 0.0000
648 G A 0.0000
649 D A -1.1707
650 S A -1.1451
651 L A -0.7993
652 R A -1.2591
653 L A 0.0000
654 S A -0.3443
655 C A 0.0000
656 A A -0.2651
657 A A -0.9040
658 S A -1.2816
659 G A -1.9660
660 R A -2.4123
661 A A -0.9244
662 F A 0.0000
663 S A -0.5438
664 S A 0.0204
665 Y A 0.0000
666 A A 0.0000
667 M A 0.0000
668 G A 0.0000
669 W A 0.0000
670 F A -0.5223
671 R A -1.4193
672 Q A -2.5003
673 A A -2.1236
674 P A -1.3580
675 G A -1.9078
676 K A -3.4986
677 E A -3.8012
678 R A -3.0817
679 E A -2.0415
680 F A -0.8634
681 V A 0.0000
682 A A 0.0000
683 A A 0.0000
684 I A 0.0000
685 G A 0.0000
686 W A 0.1369
687 G A -0.3291
688 G A -0.8476
689 S A -1.1133
690 K A -1.4172
691 T A -0.7459
692 N A -0.6680
693 Y A -0.7844
694 A A -1.2868
695 D A -2.4786
696 S A -1.6112
697 V A 0.0000
698 K A -2.6531
699 G A -1.6928
700 R A -1.0470
701 F A 0.0000
702 T A -0.5315
703 I A 0.0000
704 S A 0.0000
705 R A 0.0000
706 D A 0.0000
707 N A -1.1757
708 A A -1.2506
709 K A -2.1226
710 N A -1.7291
711 T A 0.0000
712 V A 0.0000
713 Y A 0.0000
714 L A 0.0000
715 Q A 0.0000
716 M A 0.0000
717 N A -1.0798
718 S A 0.0000
719 L A 0.0000
720 K A -1.5012
721 P A -1.4056
722 E A -2.0557
723 D A 0.0000
724 T A -0.8143
725 A A 0.0000
726 V A -0.5936
727 Y A 0.0000
728 S A -0.6810
729 C A 0.0000
730 A A 0.0000
731 A A 0.0000
732 K A 0.0000
733 F A 1.3878
734 V A 0.1877
735 N A -0.8938
736 T A -0.3014
737 D A -1.3270
738 S A -0.8805
739 T A -0.3605
740 W A -0.5398
741 S A -1.0211
742 R A -1.8921
743 S A -1.1032
744 E A -0.7719
745 Y A 0.3597
746 Y A 0.0000
747 D A -0.7618
748 Y A -0.2437
749 W A -0.2657
750 G A -0.4176
751 Q A -0.9551
752 G A -0.8833
753 T A -1.1013
754 Q A -1.1202
755 V A 0.0000
756 T A 0.0863
757 V A 0.0000
758 S A 0.0000
759 S A -0.7790
1 M A 0.3159
2 E A -1.1822
3 G A -0.2523
4 I A 1.1810
5 S A 0.6589
6 I A 1.8774
7 Y A 1.8538
8 T A 0.2003
9 S A -0.4242
10 D A -1.2031
11 N A -0.8861
12 Y A -0.1145
13 T A -0.6652
14 E A -1.4970
15 E A -0.8757
16 M A -0.2284
17 G A -1.0345
18 S A -0.9942
19 G A -1.2693
20 D A -2.2516
21 Y A -0.9067
22 D A -2.1626
23 S A -1.0439
24 M A -0.8529
25 K A -1.7267
26 E A -1.0417
27 P A -0.2701
28 C A -0.3489
29 F A -0.7765
30 R A -2.7110
31 E A -3.1854
32 E A -2.8126
33 N A -2.3591
34 A A -2.4539
35 N A -2.8775
36 F A -1.1869
37 N A -2.0959
38 K A -2.5249
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Laboratory of Theory of Biopolymers 2018