Project name: 5da427af5ffbb1c

Status: done

Started: 2026-05-11 07:26:45
Settings
Chain sequence(s) A: DVQLVESGGGVVQPGGSLRLSCAASGRTFSSYRMGWFRQAPGKEREFVAALSGDGYSTYTANSVKGRFTISRDNSKNTVYLQMNSLRPEDTALYYCAAKLQYVSGWSYDYPYWGQGTLVTVSSGGGGSGGGGSGGGGSGGGGSGGGGSGGGGSGGGGSEVQLVESGGGVVQPGGSLRLSCAASGFTFNNYAMKWVRQAPGKGLEWVSSITTGGGSTDYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTALYYCANVPFGYYSEHFSGLSFDYRGQGTLVTVSSGGGGSGGGSEVQLVESGGGVVQPGGSLRLSCAASGSGFGVNILYWYRQAAGIERELIASITSGGITNYVDSVKGRFTISRDNSENTMYLQMNSLRAEDTGLYYCASRNIFDGTTEWGQGTLVTVSSGGGGSGGGSEVQLVESGGGVVQPGGSLRLSCAASGFTFRSFGMSWVRQAPGKGPEWVSSISGSGSDTLYADSVKGRFTISRDNSKNTLYLQMNSLRPEDTALYYCTIGGSLSRSSQGTLVTVSSGGGGSGGGSEVQLVESGGGVVQPGGSLRLSCAASGFTFADYDYDIGWFRQAPGKEREGVSCISNRDGSTYYADSVKGRFTISRDNSKNTVYLQMNSLRPEDTALYYCAVEIHCDDYGVENFDFDPWGQGTLVTVSSA
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]                                                (00:00:09)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:09)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:09)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:09)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:32)
Show buried residues

Minimal score value
-3.6339
Maximal score value
2.1375
Average score
-0.6234
Total score value
-418.285

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 D A -2.6615
2 V A 0.0000
3 Q A -1.3709
4 L A 0.0000
5 V A 0.1918
6 E A 0.0000
7 S A -0.4061
8 G A -1.0073
9 G A 0.0000
10 G A 0.0000
11 V A 0.0675
12 V A -0.6971
13 Q A -1.6339
14 P A -1.7223
15 G A -1.4083
16 G A -1.1066
17 S A -1.1504
18 L A 0.0000
19 R A -1.6430
20 L A 0.0000
21 S A -0.2919
22 C A 0.0000
23 A A -0.4583
24 A A -0.9360
25 S A -1.5613
26 G A -2.1749
27 R A -2.6368
28 T A -1.2627
29 F A 0.0000
30 S A -1.2475
31 S A -0.5772
32 Y A 0.0000
33 R A 0.0000
34 M A 0.0000
35 G A 0.0000
36 W A 0.0000
37 F A 0.0000
38 R A 0.0000
39 Q A -1.1756
40 A A -1.3646
41 P A -1.2330
42 G A -2.4110
43 K A -2.6891
44 E A -2.8926
45 R A 0.0000
46 E A -1.2942
47 F A -0.1627
48 V A 0.0000
49 A A 0.0000
50 A A 0.0000
51 L A 0.0000
52 S A 0.0000
53 G A 0.0000
54 D A -1.7431
55 G A -0.7464
56 Y A 0.5656
57 S A 0.3714
58 T A 0.8039
59 Y A 0.9592
60 T A -0.2432
61 A A -0.9602
62 N A -1.8287
63 S A -1.5005
64 V A 0.0000
65 K A -2.2612
66 G A -1.6171
67 R A 0.0000
68 F A 0.0000
69 T A -0.5962
70 I A 0.0000
71 S A -0.3043
72 R A -1.3248
73 D A -1.9130
74 N A -2.0841
75 S A -1.6685
76 K A -2.4208
77 N A -1.9865
78 T A 0.0000
79 V A 0.0000
80 Y A -0.4109
81 L A 0.0000
82 Q A -0.9177
83 M A 0.0000
84 N A -1.2853
85 S A -1.2128
86 L A 0.0000
87 R A -2.3345
88 P A -1.8376
89 E A -2.2115
90 D A 0.0000
91 T A -0.8120
92 A A 0.0000
93 L A 0.1994
94 Y A 0.0000
95 Y A 0.0000
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 K A 0.0000
100 L A 0.7511
101 Q A 0.5476
102 Y A 1.6409
103 V A 1.4198
104 S A 0.4952
105 G A 0.2175
106 W A 0.6245
107 S A 0.5216
108 Y A 0.9394
109 D A 0.2481
110 Y A 0.0000
111 P A -0.2839
112 Y A -0.5467
113 W A 0.0000
114 G A 0.0000
115 Q A 0.0000
116 G A 0.0000
117 T A 0.0000
118 L A 0.3336
119 V A 0.0000
120 T A 0.0000
121 V A 0.0000
122 S A -1.0982
123 S A -1.1398
124 G A -0.9829
125 G A -0.9856
126 G A -1.1672
127 G A -1.1472
128 S A -1.0575
129 G A -1.4414
130 G A -1.4158
131 G A -1.3224
132 G A -1.2476
133 S A -0.8679
134 G A -1.0523
135 G A -0.7873
136 G A -0.8533
137 G A -0.6103
138 S A -0.7608
139 G A -0.6428
140 G A -0.8920
141 G A -1.1198
142 G A -0.9842
143 S A -0.8491
144 G A -1.0381
145 G A -1.1597
146 G A -0.9356
147 G A -1.0500
148 S A -0.6622
149 G A -0.8697
150 G A -1.2323
151 G A -1.0126
152 G A -0.6607
153 S A -0.7408
154 G A -0.6234
155 G A -0.8115
156 G A -1.0601
157 G A -0.9509
158 S A -0.8433
159 E A -0.7768
160 V A -0.1995
161 Q A 0.0000
162 L A 0.0000
163 V A 0.0000
164 E A 0.0000
165 S A 0.0000
166 G A 0.0000
167 G A 0.0000
168 G A 0.0000
169 V A 0.0000
170 V A 0.0000
171 Q A -1.2118
172 P A -1.4680
173 G A -1.2745
174 G A -1.0392
175 S A -1.0153
176 L A 0.0000
177 R A -1.1058
178 L A 0.0000
179 S A 0.0000
180 C A 0.0000
181 A A -0.7913
182 A A 0.0000
183 S A -0.5391
184 G A -0.3190
185 F A -0.2877
186 T A -0.8005
187 F A 0.0000
188 N A -2.4994
189 N A -1.6016
190 Y A -0.4475
191 A A 0.0000
192 M A 0.0000
193 K A 0.0000
194 W A 0.0000
195 V A 0.0000
196 R A 0.0000
197 Q A 0.0000
198 A A -1.0298
199 P A -0.6915
200 G A -1.5387
201 K A -2.3276
202 G A -1.3929
203 L A -0.5181
204 E A -0.7372
205 W A -0.1974
206 V A 0.0000
207 S A 0.0000
208 S A 0.0000
209 I A 0.0000
210 T A -0.4053
211 T A -0.9132
212 G A -1.3639
213 G A -1.0831
214 G A -0.8230
215 S A -0.6755
216 T A -0.5159
217 D A -0.9955
218 Y A -1.1618
219 A A 0.0000
220 D A -2.4276
221 S A -1.6309
222 V A 0.0000
223 K A -2.4819
224 G A -1.5882
225 R A 0.0000
226 F A 0.0000
227 T A -0.6887
228 I A 0.0000
229 S A -0.5385
230 R A -1.2684
231 D A -1.9151
232 N A -2.3563
233 S A -1.8377
234 K A -2.6027
235 N A -2.0154
236 T A 0.0000
237 L A 0.0000
238 Y A -0.3041
239 L A 0.0000
240 Q A -0.7513
241 M A 0.0000
242 N A -1.2099
243 S A -1.0841
244 L A 0.0000
245 R A -2.1700
246 P A -1.8583
247 E A -2.3221
248 D A 0.0000
249 T A -0.8290
250 A A 0.0000
251 L A 0.0000
252 Y A 0.0000
253 Y A 0.0000
254 C A 0.0000
255 A A 0.0000
256 N A 0.0000
257 V A 0.0000
258 P A 0.6245
259 F A 2.1375
260 G A 1.6767
261 Y A 2.1002
262 Y A 1.7273
263 S A 0.3452
264 E A -0.6435
265 H A 0.3432
266 F A 0.4069
267 S A -0.2972
268 G A 0.0000
269 L A 0.1228
270 S A -0.1523
271 F A 0.0022
272 D A -0.2156
273 Y A 0.0134
274 R A 0.0000
275 G A 0.0000
276 Q A 0.0000
277 G A 0.0000
278 T A 0.0000
279 L A 0.2976
280 V A 0.0000
281 T A -0.4615
282 V A 0.0000
283 S A -1.0314
284 S A -0.9688
285 G A -0.8726
286 G A -0.8325
287 G A -0.9135
288 G A -0.7809
289 S A -1.0521
290 G A -1.4089
291 G A -1.3414
292 G A -1.2991
293 S A -1.3103
294 E A -1.4158
295 V A 0.0000
296 Q A 0.0000
297 L A 0.0000
298 V A -0.0528
299 E A 0.0000
300 S A 0.0000
301 G A 0.0000
302 G A 0.0000
303 G A 0.0000
304 V A 0.0000
305 V A 0.0000
306 Q A -0.8871
307 P A -1.3765
308 G A -1.3640
309 G A 0.0000
310 S A -1.3736
311 L A 0.0000
312 R A -1.2473
313 L A 0.0000
314 S A -0.3086
315 C A 0.0000
316 A A -0.5185
317 A A 0.0000
318 S A -0.7744
319 G A -0.8694
320 S A -0.6384
321 G A -0.8193
322 F A 0.0000
323 G A -0.6174
324 V A 1.1969
325 N A 0.0000
326 I A 0.6933
327 L A 0.0000
328 Y A 0.0000
329 W A 0.0000
330 Y A -0.5001
331 R A -0.8195
332 Q A -1.1065
333 A A -1.2514
334 A A -1.1862
335 G A -1.4539
336 I A -0.8029
337 E A -2.1063
338 R A -2.0280
339 E A -1.8425
340 L A -0.4295
341 I A 0.0000
342 A A 0.0000
343 S A 0.1584
344 I A 0.0000
345 T A 0.3216
346 S A 0.2256
347 G A -0.0077
348 G A 0.1900
349 I A 1.4159
350 T A 0.2335
351 N A -1.0416
352 Y A -1.0577
353 V A -0.9943
354 D A -2.2921
355 S A -1.6036
356 V A 0.0000
357 K A -2.5952
358 G A -1.8236
359 R A -1.4907
360 F A 0.0000
361 T A -0.9365
362 I A 0.0000
363 S A -0.2786
364 R A -1.2960
365 D A -2.0100
366 N A -1.9667
367 S A -1.8772
368 E A -2.6441
369 N A -1.9302
370 T A 0.0000
371 M A 0.0000
372 Y A -0.2586
373 L A 0.0000
374 Q A -0.9744
375 M A 0.0000
376 N A -1.9044
377 S A -1.4181
378 L A 0.0000
379 R A -2.1320
380 A A -2.0619
381 E A -2.7820
382 D A 0.0000
383 T A 0.0000
384 G A 0.0000
385 L A 0.1092
386 Y A 0.0000
387 Y A 0.0408
388 C A 0.0000
389 A A 0.0000
390 S A 0.0000
391 R A -0.2786
392 N A 0.3701
393 I A 2.1192
394 F A 1.7837
395 D A -0.8321
396 G A -0.4449
397 T A -0.6222
398 T A -0.5133
399 E A 0.0000
400 W A 0.2130
401 G A 0.0000
402 Q A -0.2945
403 G A 0.0000
404 T A 0.0000
405 L A 0.3254
406 V A 0.0000
407 T A -0.3488
408 V A 0.0000
409 S A -0.6140
410 S A -0.4681
411 G A -0.1303
412 G A 0.0000
413 G A 0.0000
414 G A 0.0000
415 S A -0.3609
416 G A -0.2785
417 G A 0.0000
418 G A 0.0000
419 S A -0.7314
420 E A -1.3851
421 V A 0.0000
422 Q A -0.6763
423 L A 0.0000
424 V A -0.1520
425 E A 0.0000
426 S A -0.5398
427 G A -0.7986
428 G A -0.1521
429 G A 0.5644
430 V A 1.4865
431 V A 0.0966
432 Q A -1.3040
433 P A -1.5540
434 G A -1.3614
435 G A -0.8295
436 S A -0.8648
437 L A -0.5822
438 R A -1.5987
439 L A 0.0000
440 S A -0.4971
441 C A 0.0000
442 A A -0.5744
443 A A 0.0000
444 S A 0.0000
445 G A 0.0000
446 F A -0.0194
447 T A 0.0000
448 F A 0.0000
449 R A -1.1092
450 S A -0.9775
451 F A -0.4457
452 G A -0.6443
453 M A 0.0000
454 S A 0.0000
455 W A 0.0000
456 V A 0.0000
457 R A 0.0000
458 Q A 0.0000
459 A A -1.1919
460 P A -1.0881
461 G A -1.9189
462 K A -2.9478
463 G A -2.4985
464 P A -1.6153
465 E A -1.0593
466 W A -0.1192
467 V A 0.0000
468 S A 0.0000
469 S A 0.0907
470 I A 0.0000
471 S A -0.8791
472 G A -1.0833
473 S A -0.9947
474 G A -1.2650
475 S A -1.3140
476 D A -1.7376
477 T A -0.2768
478 L A 0.7658
479 Y A -0.0591
480 A A -0.9920
481 D A -2.2173
482 S A -1.6361
483 V A 0.0000
484 K A -2.2030
485 G A -1.5742
486 R A 0.0000
487 F A 0.0000
488 T A -0.5471
489 I A 0.0000
490 S A -0.6974
491 R A -1.1087
492 D A -1.6548
493 N A -1.7068
494 S A -1.7151
495 K A -2.4398
496 N A -1.6605
497 T A 0.0000
498 L A 0.0000
499 Y A -0.5294
500 L A 0.0000
501 Q A -1.1164
502 M A 0.0000
503 N A -1.1567
504 S A -1.1067
505 L A 0.0000
506 R A -2.2547
507 P A -1.9340
508 E A -2.3229
509 D A 0.0000
510 T A -0.6399
511 A A 0.0000
512 L A 0.0000
513 Y A 0.0000
514 Y A 0.0000
515 C A 0.0000
516 T A 0.0000
517 I A 0.0255
518 G A -0.3562
519 G A -0.3524
520 S A -0.0534
521 L A -0.3180
522 S A -0.9115
523 R A -2.0966
524 S A -1.1198
525 S A 0.0000
526 Q A -0.4181
527 G A 0.0000
528 T A 0.0000
529 L A 0.3516
530 V A 0.0000
531 T A 0.0000
532 V A 0.0000
533 S A -0.7450
534 S A -0.8052
535 G A -0.8873
536 G A -0.9528
537 G A -1.2498
538 G A -1.1391
539 S A -1.0536
540 G A -1.1544
541 G A -1.1558
542 G A -1.2507
543 S A -1.5486
544 E A -1.9866
545 V A -0.6157
546 Q A -0.3117
547 L A 0.0000
548 V A 0.7481
549 E A 0.0000
550 S A -0.3812
551 G A -0.8241
552 G A -0.4029
553 G A -0.0014
554 V A 0.3582
555 V A -0.3928
556 Q A -1.3440
557 P A -1.6807
558 G A -1.5213
559 G A -1.1229
560 S A -1.2611
561 L A -0.8646
562 R A -1.6366
563 L A 0.0000
564 S A -0.3829
565 C A 0.0000
566 A A -0.2259
567 A A 0.0000
568 S A -0.7508
569 G A -1.0359
570 F A 0.0000
571 T A -0.8030
572 F A 0.0000
573 A A -1.4610
574 D A -1.6253
575 Y A -1.0165
576 D A -1.7730
577 Y A -0.8273
578 D A 0.0000
579 I A 0.0000
580 G A 0.0000
581 W A 0.0000
582 F A 0.0000
583 R A 0.0000
584 Q A 0.0000
585 A A -1.6525
586 P A -1.3393
587 G A -1.8969
588 K A -3.3063
589 E A -3.6339
590 R A -2.2160
591 E A -1.8483
592 G A 0.0000
593 V A 0.0000
594 S A 0.0000
595 C A 0.0000
596 I A 0.0000
597 S A 0.0000
598 N A -2.2374
599 R A -3.3057
600 D A -3.0687
601 G A -2.0704
602 S A -1.6763
603 T A -0.3494
604 Y A 0.0413
605 Y A -0.6817
606 A A -1.5541
607 D A -2.3493
608 S A -1.8057
609 V A 0.0000
610 K A -2.4551
611 G A -1.8256
612 R A -1.5127
613 F A 0.0000
614 T A -0.7841
615 I A 0.0000
616 S A -0.4927
617 R A -1.0899
618 D A -1.6308
619 N A -1.8927
620 S A -1.6077
621 K A -2.3544
622 N A -1.6666
623 T A 0.0000
624 V A 0.0000
625 Y A -0.5119
626 L A 0.0000
627 Q A -1.2207
628 M A 0.0000
629 N A -1.9913
630 S A -1.5056
631 L A 0.0000
632 R A -2.3786
633 P A -2.1834
634 E A -2.5561
635 D A 0.0000
636 T A -1.0187
637 A A 0.0000
638 L A 0.0000
639 Y A 0.0000
640 Y A 0.0000
641 C A 0.0000
642 A A 0.0000
643 V A 0.0000
644 E A -0.9361
645 I A -1.1397
646 H A -1.8273
647 C A 0.0000
648 D A -2.9374
649 D A -2.2321
650 Y A -0.5304
651 G A 0.0000
652 V A 0.0000
653 E A -1.5194
654 N A -1.0371
655 F A -0.4511
656 D A -1.8617
657 F A 0.0000
658 D A -1.9236
659 P A -1.1835
660 W A -0.4986
661 G A 0.0000
662 Q A 0.0899
663 G A 0.0000
664 T A 0.0085
665 L A 0.1389
666 V A 0.0000
667 T A -0.3926
668 V A 0.0000
669 S A -1.3566
670 S A -1.0870
671 A A -0.8143
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018