Project name: 1c0ee3295f6be79

Status: done

Started: 2026-05-18 03:03:51
Settings
Chain sequence(s) A: EVQLVESGGGSVQPGGSLRLSCVASESTYTYRSYCMGWFRQAPGKNREGVAAIDRFGITSYVDSVKGRFTISRDSSKASLYLQMDSLRAEDTAMYYCAADLAGAPYCRGGRASDFMFGGQGTLVTVSSASGGGGSGGGGSGGGGSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVCTLPPSRDELTKNQVSLSCAVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLVSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
B: APASSSTKKTQLQLEHLLADLQMILNGINNYKNPKLTRMLTFKFYMPKKATELKHLQCLEEELKTLEEVLNLAQSKNFHLRPRDLISRINVIVLELKGSETTFMCEYADETATIVEFLNRWITFSQSIISTLTGGGGSGGGGSGGGGSDKTHTCPPCPAPEAAGGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQPREPQVYTLPPCRDELTKNQVSLWCLVKGFYPSDIAVEWESNGQPENNYKTTPPVLDSDGSFFLYSKLTVDKSRWQQGNVFSCSVMHEALHNHYTQKSLSLSPGK
input PDB
Selected Chain(s) A,B
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:16:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:09)
Show buried residues

Minimal score value
-3.7922
Maximal score value
2.4297
Average score
-0.8989
Total score value
-671.4851

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 E A -2.0853
2 V A -1.2341
3 Q A -1.0586
4 L A 0.0000
5 V A 0.7245
6 E A 0.0000
7 S A -0.2009
8 G A -0.8310
9 G A -0.3063
10 G A -0.2464
11 S A -0.3401
12 V A -0.8036
13 Q A -1.6096
14 P A -1.6021
15 G A -1.3252
16 G A -1.0600
17 S A -1.3075
18 L A -1.1795
19 R A -2.1590
20 L A 0.0000
21 S A -0.2433
22 C A 0.0000
23 V A 0.5519
24 A A -0.1799
25 S A -0.7237
26 E A -1.4283
27 S A -0.9038
28 T A -0.4505
29 Y A -0.7254
30 T A -1.1220
31 Y A 0.0000
32 R A -2.1191
33 S A -0.6929
34 Y A 0.0032
35 C A 0.0000
36 M A 0.0000
37 G A 0.0000
38 W A 0.0000
39 F A 0.0000
40 R A 0.0000
41 Q A -1.4132
42 A A -1.4472
43 P A -1.2518
44 G A -1.7181
45 K A -2.7377
46 N A -2.6554
47 R A -1.9966
48 E A -1.5793
49 G A -1.1359
50 V A 0.0000
51 A A 0.0000
52 A A 0.0000
53 I A 0.0000
54 D A 0.0000
55 R A 0.0078
56 F A 1.8545
57 G A 1.3055
58 I A 2.4297
59 T A 1.0096
60 S A -0.1112
61 Y A -0.6406
62 V A -1.0102
63 D A -2.2974
64 S A -1.7288
65 V A 0.0000
66 K A -2.4871
67 G A -1.7583
68 R A -1.7454
69 F A 0.0000
70 T A -0.9262
71 I A 0.0000
72 S A -0.1375
73 R A -0.8043
74 D A -1.2918
75 S A -1.5201
76 S A -1.5445
77 K A -2.0541
78 A A -1.3715
79 S A 0.0000
80 L A 0.0000
81 Y A -0.4540
82 L A 0.0000
83 Q A -1.4109
84 M A 0.0000
85 D A -1.5808
86 S A -1.2415
87 L A 0.0000
88 R A -2.0023
89 A A -1.5690
90 E A -2.1243
91 D A 0.0000
92 T A -0.6717
93 A A 0.0000
94 M A 0.2911
95 Y A 0.0000
96 Y A 0.1048
97 C A 0.0000
98 A A 0.0000
99 A A 0.0000
100 D A 0.0000
101 L A 0.7554
102 A A 0.1195
103 G A 0.0443
104 A A -0.0235
105 P A 0.2705
106 Y A 1.2313
107 C A -0.1929
108 R A -2.2753
109 G A -1.7648
110 G A -1.6703
111 R A -2.7310
112 A A -1.5027
113 S A -1.1794
114 D A -1.1859
115 F A 0.0000
116 M A 0.6385
117 F A 0.5431
118 G A -0.1758
119 G A -0.1522
120 Q A -0.8762
121 G A -0.0996
122 T A 0.2986
123 L A 0.8384
124 V A 0.0000
125 T A -0.3955
126 V A 0.0000
127 S A -1.0651
128 S A -0.9335
129 A A -0.6721
130 S A -0.7067
131 G A -1.0193
132 G A -1.1429
133 G A -1.2097
134 G A -1.2144
135 S A -1.0199
136 G A -1.1975
137 G A -1.2137
138 G A -1.1561
139 G A -1.1935
140 S A -1.0414
141 G A -1.1274
142 G A -1.2058
143 G A -1.3105
144 G A -1.5842
145 S A -1.9300
146 D A -3.0635
147 K A -3.0242
148 T A -1.9534
149 H A -1.9232
150 T A -0.9510
151 C A -0.3737
152 P A -0.3557
153 P A -0.1360
154 C A 0.0903
155 P A -0.4653
156 A A -0.6327
157 P A -1.2963
158 E A -2.0227
159 A A -1.0397
160 A A -0.7859
161 G A -0.8697
162 G A -0.9132
163 P A 0.0000
164 S A 0.0415
165 V A 0.0000
166 F A 1.3819
167 L A 1.0318
168 F A 1.3417
169 P A -0.0457
170 P A 0.0000
171 K A -2.2663
172 P A -1.4656
173 K A -1.3142
174 D A -1.3905
175 T A 0.0000
176 L A 0.0000
177 M A 0.2068
178 I A 1.3651
179 S A -0.0207
180 R A -1.4080
181 T A -0.8593
182 P A 0.0000
183 E A -1.2238
184 V A 0.0000
185 T A 0.3057
186 C A 0.0000
187 V A 0.0000
188 V A 0.0000
189 V A -0.7185
190 D A -1.2444
191 V A 0.0000
192 S A -2.1859
193 H A -2.5692
194 E A -2.9301
195 D A -2.5110
196 P A -2.6217
197 E A -3.0699
198 V A -1.9825
199 K A -2.2417
200 F A -1.1856
201 N A -1.1522
202 W A 0.0000
203 Y A -0.5924
204 V A -0.8277
205 D A -2.0768
206 G A -0.8602
207 V A 0.6018
208 E A -0.6877
209 V A -0.5760
210 H A -1.8813
211 N A -2.1719
212 A A -1.8999
213 K A -2.4139
214 T A -1.8768
215 K A -2.2495
216 P A -2.3032
217 R A -3.3808
218 E A -3.7922
219 E A -3.3445
220 Q A -1.5520
221 Y A 0.4023
222 N A -0.6148
223 S A -0.9158
224 T A -1.8926
225 Y A 0.0000
226 R A -2.3751
227 V A 0.0000
228 V A -0.8800
229 S A 0.0000
230 V A 0.0000
231 L A 0.0000
232 T A -0.7525
233 V A 0.0000
234 L A 0.3506
235 H A -0.3463
236 Q A -1.2844
237 D A -1.5887
238 W A 0.0000
239 L A -1.0606
240 N A -2.1432
241 G A -2.0968
242 K A -2.2634
243 E A -2.0566
244 Y A 0.0000
245 K A -1.5382
246 C A 0.0000
247 K A -1.4857
248 V A 0.0000
249 S A -1.4737
250 N A 0.0000
251 K A -2.5259
252 A A -1.4006
253 L A -0.7417
254 P A -0.6874
255 A A -0.4332
256 P A -0.9515
257 I A -0.5757
258 E A -1.8679
259 K A -1.1204
260 T A -0.9737
261 I A -0.1967
262 S A -1.1615
263 K A -1.3440
264 A A -1.2293
265 K A -2.3510
266 G A -1.9500
267 Q A -2.1033
268 P A -1.7035
269 R A -1.9897
270 E A -2.6298
271 P A 0.0000
272 Q A -1.6173
273 V A 0.0000
274 C A 0.0000
275 T A 0.0000
276 L A 0.0000
277 P A -0.3980
278 P A -0.9049
279 S A -1.5370
280 R A -2.6834
281 D A -2.8397
282 E A 0.0000
283 L A -1.9072
284 T A -1.6538
285 K A -2.2514
286 N A -2.5261
287 Q A -2.2614
288 V A 0.0000
289 S A 0.0000
290 L A 0.0000
291 S A 0.0000
292 C A 0.0000
293 A A 0.0000
294 V A 0.0000
295 K A -0.6666
296 G A -1.1099
297 F A 0.0000
298 Y A -1.0157
299 P A 0.0000
300 S A -0.2388
301 D A -1.2621
302 I A -0.6641
303 A A 0.0000
304 V A 0.0000
305 E A -1.1846
306 W A 0.0000
307 E A -1.6791
308 S A 0.0000
309 N A -1.8079
310 G A -1.7226
311 Q A -2.2519
312 P A -1.8654
313 E A 0.0000
314 N A -1.9567
315 N A -1.2918
316 Y A -0.9540
317 K A -0.7512
318 T A -0.2605
319 T A 0.0000
320 P A -0.0391
321 P A 0.1285
322 V A 0.5242
323 L A 0.7428
324 D A -0.5129
325 S A -1.1332
326 D A -1.9027
327 G A -0.8849
328 S A 0.0000
329 F A 0.1304
330 F A 0.0000
331 L A 0.0000
332 V A 0.0000
333 S A 0.0000
334 K A 0.0000
335 L A 0.0000
336 T A -0.8697
337 V A 0.0000
338 D A -2.5442
339 K A -2.7247
340 S A -2.2758
341 R A -1.9736
342 W A 0.0000
343 Q A -2.4136
344 Q A -2.1264
345 G A -1.1472
346 N A -0.7633
347 V A 0.3792
348 F A 0.0000
349 S A 0.0000
350 C A 0.0000
351 S A 0.0000
352 V A 0.0000
353 M A 0.0000
354 H A 0.0000
355 E A -1.0647
356 A A -1.4354
357 L A -1.4097
358 H A -1.7383
359 N A -1.6493
360 H A -1.1342
361 Y A -0.3195
362 T A -0.6147
363 Q A -0.8908
364 K A -0.9467
365 S A -0.3963
366 L A 0.0000
367 S A -0.0972
368 L A -0.3807
369 S A -0.6193
370 P A -1.2783
371 G A -1.4289
372 K A -2.0345
373 A B -0.1190
374 P B -0.3536
375 A B -0.4916
376 S B -1.0743
377 S B -1.4680
378 S B -1.4330
379 T B -1.4034
380 K B -2.3796
381 K B -2.6627
382 T B -1.6264
383 Q B -1.1930
384 L B -0.4932
385 Q B -1.0298
386 L B 0.0000
387 E B -1.2102
388 H B -1.1250
389 L B 0.0000
390 L B -0.6635
391 A B -0.5704
392 D B 0.0000
393 L B 0.0000
394 Q B -1.0713
395 M B -0.6384
396 I B 0.0000
397 L B -1.3706
398 N B -2.1018
399 G B -1.9021
400 I B 0.0000
401 N B -2.5775
402 N B -2.8620
403 Y B -2.4156
404 K B -2.6826
405 N B -2.1519
406 P B -1.5687
407 K B -1.8767
408 L B -1.4960
409 T B -1.1840
410 R B -1.8173
411 M B 0.0000
412 L B -0.2337
413 T B -0.4275
414 F B -0.5027
415 K B -1.1407
416 F B 0.0000
417 Y B -0.3149
418 M B 0.0000
419 P B 0.0000
420 K B -3.0660
421 K B -2.9709
422 A B -2.0595
423 T B -1.5756
424 E B -2.0947
425 L B -1.2761
426 K B -1.3629
427 H B -1.5244
428 L B 0.0000
429 Q B 0.0000
430 C B 0.0000
431 L B 0.0000
432 E B -0.8090
433 E B -1.3111
434 E B 0.0000
435 L B 0.0000
436 K B -2.8880
437 T B -1.7965
438 L B 0.0000
439 E B -2.7084
440 E B -2.5712
441 V B 0.0000
442 L B 0.0000
443 N B -1.6717
444 L B -0.8230
445 A B 0.0000
446 Q B -2.1557
447 S B -2.0373
448 K B -2.8083
449 N B -2.7199
450 F B 0.0000
451 H B -2.2608
452 L B -2.0697
453 R B -3.1616
454 P B 0.0000
455 R B -3.7141
456 D B -3.0404
457 L B 0.0000
458 I B 0.0000
459 S B -1.7843
460 R B -1.3453
461 I B 0.0000
462 N B -0.5614
463 V B 0.8672
464 I B 0.0000
465 V B 0.0000
466 L B -0.0678
467 E B -1.4656
468 L B 0.0000
469 K B 0.0000
470 G B -1.3405
471 S B -1.4594
472 E B -2.0953
473 T B -0.9195
474 T B -0.2992
475 F B -0.0442
476 M B 0.5640
477 C B -0.7798
478 E B -2.1991
479 Y B -1.6446
480 A B -2.3385
481 D B -2.8679
482 E B -2.7657
483 T B -1.4298
484 A B 0.0000
485 T B -0.4335
486 I B 0.0000
487 V B -0.7704
488 E B -1.7954
489 F B 0.0000
490 L B 0.0000
491 N B -1.5042
492 R B -1.5061
493 W B 0.0000
494 I B -1.0006
495 T B -0.8153
496 F B 0.0000
497 S B 0.0000
498 Q B -1.3951
499 S B -0.8441
500 I B 0.0000
501 I B -0.5138
502 S B -0.5642
503 T B -0.3420
504 L B -0.2615
505 T B -0.5987
506 G B -0.8694
507 G B -1.0526
508 G B -1.1367
509 G B -1.1989
510 S B -1.0303
511 G B -1.1592
512 G B -1.2062
513 G B -1.1829
514 G B -1.1778
515 S B -1.0393
516 G B -1.2056
517 G B -1.1889
518 G B -1.1633
519 G B -1.5506
520 S B -1.9608
521 D B -3.0071
522 K B -3.0555
523 T B -2.0340
524 H B -1.9442
525 T B -0.9049
526 C B -0.2834
527 P B -0.2867
528 P B -0.1661
529 C B 0.0489
530 P B -0.5497
531 A B -0.9356
532 P B -1.1585
533 E B -1.9261
534 A B -0.9636
535 A B -0.6745
536 G B 0.0000
537 G B 0.0000
538 P B 0.0000
539 S B -0.0322
540 V B 0.0000
541 F B 1.1476
542 L B 0.7049
543 F B 0.9237
544 P B -0.1445
545 P B 0.0000
546 K B -2.0969
547 P B -1.3920
548 K B -1.1000
549 D B -1.1145
550 T B 0.0000
551 L B 0.0000
552 M B 0.3365
553 I B 1.3425
554 S B 0.1847
555 R B -1.0079
556 T B -0.5148
557 P B 0.0000
558 E B -0.7256
559 V B 0.0000
560 T B 0.2193
561 C B 0.0000
562 V B 0.0000
563 V B 0.0000
564 V B -0.7421
565 D B -1.3166
566 V B 0.0000
567 S B -2.4042
568 H B -2.5745
569 E B -2.9542
570 D B -2.5613
571 P B -2.8214
572 E B -3.1048
573 V B -2.0473
574 K B -2.2478
575 F B -1.2109
576 N B -1.1897
577 W B 0.0000
578 Y B -0.6859
579 V B -0.8813
580 D B -2.1373
581 G B -0.9211
582 V B 0.5159
583 E B -0.8020
584 V B -0.5905
585 H B -1.8945
586 N B -2.1678
587 A B -1.8010
588 K B -2.3444
589 T B -1.8841
590 K B -2.2261
591 P B -2.2213
592 R B -3.2035
593 E B -3.3939
594 E B -3.1302
595 Q B -1.4772
596 Y B 0.3802
597 N B -0.5355
598 S B -0.9523
599 T B 0.0000
600 Y B 0.0000
601 R B -2.2273
602 V B 0.0000
603 V B 0.0000
604 S B 0.0000
605 V B 0.0000
606 L B 0.0000
607 T B -0.4954
608 V B 0.0000
609 L B 0.6908
610 H B -0.1118
611 Q B -1.1630
612 D B -1.3604
613 W B 0.0000
614 L B -0.9895
615 N B -2.0530
616 G B -2.0553
617 K B -2.0949
618 E B -2.0129
619 Y B 0.0000
620 K B -1.6642
621 C B 0.0000
622 K B -1.5956
623 V B 0.0000
624 S B -1.5175
625 N B 0.0000
626 K B -2.5427
627 A B -1.5204
628 L B -0.5287
629 P B -0.4720
630 A B -0.4673
631 P B -1.0206
632 I B -0.7072
633 E B -2.0685
634 K B -1.2847
635 T B -1.0947
636 I B -0.1504
637 S B -1.1514
638 K B -1.2810
639 A B -1.2186
640 K B -2.3506
641 G B -1.9781
642 Q B -2.1390
643 P B -1.7646
644 R B -2.0865
645 E B -2.6478
646 P B 0.0000
647 Q B -1.3006
648 V B 0.0000
649 Y B 0.0000
650 T B -0.7601
651 L B 0.0000
652 P B -0.3606
653 P B -0.8136
654 C B -1.3770
655 R B -2.6177
656 D B -2.9012
657 E B 0.0000
658 L B -1.9684
659 T B -1.8146
660 K B -2.6340
661 N B -2.7143
662 Q B -2.4372
663 V B 0.0000
664 S B 0.0000
665 L B 0.0000
666 W B 0.0000
667 C B 0.0000
668 L B 0.0000
669 V B 0.0000
670 K B -0.4604
671 G B -0.9524
672 F B 0.0000
673 Y B -1.0393
674 P B 0.0000
675 S B -0.2628
676 D B -1.2880
677 I B -0.6248
678 A B -0.4938
679 V B 0.0000
680 E B -1.1021
681 W B 0.0000
682 E B -1.7513
683 S B 0.0000
684 N B -1.8426
685 G B -1.7580
686 Q B -2.3058
687 P B -1.9762
688 E B -1.8523
689 N B -2.0668
690 N B -1.4236
691 Y B -0.8887
692 K B -0.7781
693 T B -0.2594
694 T B 0.0000
695 P B 0.0006
696 P B 0.2091
697 V B 0.7241
698 L B 1.1299
699 D B -0.2718
700 S B -1.0079
701 D B -1.7760
702 G B -0.6608
703 S B 0.0000
704 F B 0.2992
705 F B 0.0000
706 L B 0.0000
707 Y B 0.0000
708 S B 0.0000
709 K B 0.0000
710 L B 0.0000
711 T B -0.8889
712 V B 0.0000
713 D B -2.5746
714 K B -2.7262
715 S B -2.2464
716 R B -1.9729
717 W B 0.0000
718 Q B -2.3793
719 Q B -2.1202
720 G B -1.1570
721 N B -0.7920
722 V B 0.3099
723 F B 0.0000
724 S B -0.8627
725 C B 0.0000
726 S B 0.0000
727 V B 0.0000
728 M B 0.0000
729 H B 0.0000
730 E B -1.0978
731 A B -1.5556
732 L B 0.0000
733 H B -1.7911
734 N B -1.4232
735 H B -0.8934
736 Y B -0.2894
737 T B -0.5876
738 Q B -0.8744
739 K B -0.9509
740 S B -0.4235
741 L B 0.0000
742 S B -0.1025
743 L B -0.3582
744 S B -0.6112
745 P B -1.2595
746 G B -1.4281
747 K B -2.0352
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Laboratory of Theory of Biopolymers 2018