Project name: e690d683601dbae

Status: done

Started: 2026-05-29 09:00:32
Settings
Chain sequence(s) A: EVQLVESGGGLVQAGGSLRLSCAASGRTFSNYIMGWFRQAPGKEREFVAAISQNGIRIYYADSVKGRFTISRDNAKNTVYLQMNSLKPEDTAVYYCAAASHSAWYTQGFEYDYWGQGTQVTVSSGGGGSGGGSGGDCLGPEVEVCDHGGGSGGGSGRSAGGGGSPLGLAGGGGSEVQLVESGGGLVQPGGSLKLSCAASGFTFNKYAMNWVRQAPGKGLEWVARIRSKYQNYATYYADSVKDRFTISRDDSKNTAYLQMNNLKTEDTAVYYCVRHGNFGNSYISYWAYWGQGTLVTVSSGGGSGGGSGGGSQTVVTQEPSLTVSPGGTVTLTCGSSTGAVTSGYYPNWVQQKPGQAPRGLIGGTKFLAPGTPARFSGSLLGGKAALTLSGVQPEDEAEYYCALWYSNRWVFGGGTKLTVLGGGGSQVQLQESGPGLVKPSETLSLTCTVSGGSVSSGDYYWTWIRQSPGKGLEWIGHIYYSGNTNYNPSLKSRLTISIDTSKTQFSLKLSSVTAADTAIYYCVRDRVTGAFDIWGQGTMVTVSSGGGGSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCQASQDISNYLNWYQQKPGKAPKLLIYDASNLETGVPSRFSGSGSGTDFTFTISSLQPEDIATYFCQHFDHLPLAFGGGTKVEIKSSGSGGSGGSHHHHHH
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:04)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:16)
Show buried residues

Minimal score value
-3.3404
Maximal score value
1.5551
Average score
-0.679
Total score value
-466.4719

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 -2.6934
2 V A 0.0000
3 Q A -1.8252
4 L A 0.0000
5 V A 0.9107
6 E A 0.0000
7 S A -0.4651
8 G A -0.9902
9 G A -0.7624
10 G A -0.1879
11 L A 0.1318
12 V A 0.0000
13 Q A -1.6079
14 A A -1.6999
15 G A -1.3813
16 G A -1.0090
17 S A -1.2946
18 L A -1.1917
19 R A -2.1600
20 L A 0.0000
21 S A -0.4253
22 C A 0.0000
23 A A -0.2851
24 A A 0.0000
25 S A -1.6023
26 G A -2.3386
27 R A -3.0322
28 T A -1.6732
29 F A 0.0000
30 S A -1.8086
31 N A -2.1404
32 Y A 0.0000
33 I 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 -1.9528
40 A A -1.7947
41 P A -1.3103
42 G A -1.7493
43 K A -2.8491
44 E A -3.3404
45 R A -2.7755
46 E A -1.7601
47 F A -0.7614
48 V A 0.0000
49 A A 0.0000
50 A A 0.0000
51 I A 0.0000
52 S A 0.0000
53 Q A -1.5751
54 N A -1.6029
55 G A -0.4665
56 I A 0.8247
57 R A -0.6510
58 I A 0.6925
59 Y A 0.1468
60 Y A -0.4620
61 A A -1.2366
62 D A -2.4474
63 S A -1.8042
64 V A 0.0000
65 K A -2.5910
66 G A -1.8100
67 R A -1.7127
68 F A 0.0000
69 T A -0.7252
70 I A 0.0000
71 S A -0.1293
72 R A -1.3508
73 D A -1.9711
74 N A -2.2243
75 A A -1.5140
76 K A -2.4350
77 N A -2.1896
78 T A 0.0000
79 V A 0.0000
80 Y A -0.6283
81 L A 0.0000
82 Q A -1.2926
83 M A 0.0000
84 N A -1.5016
85 S A -1.2055
86 L A 0.0000
87 K A -2.1179
88 P A -1.7976
89 E A -2.2228
90 D A 0.0000
91 T A -0.8982
92 A A 0.0000
93 V A -0.4332
94 Y A 0.0000
95 Y A -0.1756
96 C A 0.0000
97 A A 0.0000
98 A A 0.0000
99 A A 0.0000
100 S A -1.3494
101 H A -1.3742
102 S A 0.0000
103 A A 0.3076
104 W A 1.0783
105 Y A 0.0000
106 T A 0.3927
107 Q A 0.2514
108 G A 0.1705
109 F A 1.4055
110 E A 0.0950
111 Y A 0.0000
112 D A -1.5067
113 Y A -0.8731
114 W A -0.2750
115 G A -0.1881
116 Q A -0.9728
117 G A -0.4121
118 T A 0.0000
119 Q A -0.5229
120 V A 0.0000
121 T A -0.6561
122 V A 0.0000
123 S A -1.3296
124 S A -1.5677
125 G A -1.5704
126 G A -1.7893
127 G A -1.3588
128 G A -1.4270
129 S A -1.1881
130 G A -1.1958
131 G A -1.1746
132 G A -1.4106
133 S A -1.3064
134 G A -1.5044
135 G A -1.4426
136 D A -1.3684
137 C A -0.0717
138 L A 0.5648
139 G A 0.0000
140 P A 0.0000
141 E A 0.0000
142 V A 0.7351
143 E A 0.0000
144 V A 0.2591
145 C A -0.3566
146 D A -2.2854
147 H A -2.2713
148 G A -2.1915
149 G A -1.8478
150 G A -1.6085
151 S A -1.1676
152 G A -1.1849
153 G A -1.1674
154 G A -1.3627
155 S A -1.4097
156 G A -1.7141
157 R A -2.3536
158 S A -1.4841
159 A A -1.1435
160 G A -1.2094
161 G A -1.1181
162 G A -1.1586
163 G A -0.8383
164 S A -0.2923
165 P A 0.2648
166 L A 1.4457
167 G A 0.9583
168 L A 1.5551
169 A A 0.4010
170 G A -0.7281
171 G A -1.0762
172 G A -1.3738
173 G A -1.4944
174 S A -1.6230
175 E A -2.2358
176 V A -0.8594
177 Q A -0.7815
178 L A 0.0000
179 V A -0.0668
180 E A 0.0000
181 S A -0.5229
182 G A -0.9356
183 G A -0.4548
184 G A 0.0447
185 L A 0.7724
186 V A -0.1716
187 Q A -1.4984
188 P A -1.9412
189 G A -1.8244
190 G A 0.0000
191 S A -1.4644
192 L A -1.1050
193 K A -1.9444
194 L A 0.0000
195 S A -0.5522
196 C A 0.0000
197 A A -0.4569
198 A A 0.0000
199 S A -0.8530
200 G A -1.0182
201 F A -0.5141
202 T A -0.3981
203 F A 0.0000
204 N A -1.2204
205 K A -0.8892
206 Y A -0.2647
207 A A 0.0000
208 M A 0.0000
209 N A 0.0000
210 W A 0.0000
211 V A 0.0000
212 R A 0.0000
213 Q A -0.8908
214 A A -1.2574
215 P A -1.0985
216 G A -1.6845
217 K A -2.2338
218 G A -1.5570
219 L A 0.0000
220 E A -0.8924
221 W A 0.0000
222 V A 0.0000
223 A A 0.0000
224 R A 0.0000
225 I A 0.0000
226 R A -0.4481
227 S A 0.0000
228 K A -1.3104
229 Y A 0.1959
230 Q A -0.4579
231 N A -1.2503
232 Y A -0.4160
233 A A -0.2506
234 T A -0.1169
235 Y A -0.3365
236 Y A -1.0934
237 A A -1.6706
238 D A -2.8577
239 S A -2.1203
240 V A 0.0000
241 K A -2.8787
242 D A -3.0441
243 R A -2.3512
244 F A 0.0000
245 T A -0.9628
246 I A 0.0000
247 S A -0.2146
248 R A -0.9054
249 D A -1.3724
250 D A -1.7700
251 S A -1.5088
252 K A -2.4066
253 N A -1.6668
254 T A 0.0000
255 A A 0.0000
256 Y A -0.4386
257 L A 0.0000
258 Q A -1.0944
259 M A 0.0000
260 N A -2.0911
261 N A -2.4620
262 L A 0.0000
263 K A -2.5227
264 T A -1.9361
265 E A -2.3955
266 D A 0.0000
267 T A -0.6902
268 A A 0.0000
269 V A 0.0000
270 Y A 0.0000
271 Y A 0.0000
272 C A 0.0000
273 V A 0.0000
274 R A 0.0000
275 H A 0.0000
276 G A 0.0000
277 N A -0.1677
278 F A 0.3437
279 G A 0.0678
280 N A -0.8346
281 S A 0.0545
282 Y A 1.0724
283 I A 0.0000
284 S A 0.0000
285 Y A 0.0000
286 W A 0.0000
287 A A 0.0229
288 Y A 0.3262
289 W A 0.1599
290 G A 0.0000
291 Q A -0.5440
292 G A 0.0000
293 T A 0.0000
294 L A 0.0324
295 V A 0.0000
296 T A 0.0000
297 V A 0.0000
298 S A -0.6467
299 S A -1.2965
300 G A -1.1692
301 G A -1.2954
302 G A -1.1566
303 S A -1.0595
304 G A -1.5679
305 G A -1.3721
306 G A -1.6119
307 S A -1.0926
308 G A -1.5645
309 G A -1.3413
310 G A -1.5671
311 S A -0.9718
312 Q A -1.4147
313 T A 0.1379
314 V A 1.2692
315 V A 0.0000
316 T A -0.0212
317 Q A -0.5532
318 E A -0.7769
319 P A -0.9266
320 S A -0.7548
321 L A -0.1066
322 T A 0.0674
323 V A 0.0000
324 S A -0.1962
325 P A -0.7433
326 G A -0.8438
327 G A -0.4776
328 T A -0.3447
329 V A 0.0142
330 T A 0.1560
331 L A 0.0000
332 T A -0.0933
333 C A 0.0000
334 G A 0.0000
335 S A 0.0951
336 S A 0.0237
337 T A -0.1645
338 G A -0.5868
339 A A -0.2749
340 V A 0.0000
341 T A -0.0984
342 S A -0.3015
343 G A -0.2428
344 Y A 0.0375
345 Y A 0.1195
346 P A 0.0000
347 N A 0.0000
348 W A 0.0000
349 V A 0.0000
350 Q A 0.0000
351 Q A -1.6083
352 K A -2.1394
353 P A -1.7013
354 G A -1.5263
355 Q A -1.8752
356 A A -0.9986
357 P A 0.0000
358 R A -0.9056
359 G A 0.0000
360 L A 0.0000
361 I A 0.0000
362 G A 0.0000
363 G A 0.0000
364 T A 0.0000
365 K A -0.6894
366 F A 0.0992
367 L A 0.4113
368 A A 0.0000
369 P A -0.0236
370 G A -0.4922
371 T A -0.2867
372 P A -0.3082
373 A A -0.1558
374 R A -0.5667
375 F A 0.0000
376 S A -0.5090
377 G A -0.1795
378 S A 0.0782
379 L A 0.7702
380 L A 1.1308
381 G A 0.0578
382 G A -0.1971
383 K A -0.3284
384 A A 0.0000
385 A A 0.0000
386 L A 0.0000
387 T A -0.1833
388 L A 0.0000
389 S A -0.5555
390 G A -0.6963
391 V A 0.0000
392 Q A -1.4158
393 P A -1.6326
394 E A -2.4272
395 D A 0.0000
396 E A -1.9523
397 A A 0.0000
398 E A -1.9062
399 Y A 0.0000
400 Y A 0.0000
401 C A 0.0000
402 A A 0.0000
403 L A 0.0000
404 W A 0.0000
405 Y A -0.3383
406 S A -0.5749
407 N A -1.0683
408 R A -0.9119
409 W A 0.0000
410 V A 0.2328
411 F A 0.0000
412 G A 0.0000
413 G A -0.9783
414 G A 0.0000
415 T A 0.0000
416 K A -1.7263
417 L A 0.0000
418 T A -0.5833
419 V A 0.0000
420 L A 0.4976
421 G A -0.2557
422 G A 0.0000
423 G A -0.9602
424 G A -1.6308
425 S A -1.5880
426 Q A -1.7879
427 V A -1.0591
428 Q A -1.3032
429 L A 0.0000
430 Q A -1.3220
431 E A 0.0000
432 S A -0.7728
433 G A -0.6326
434 P A -0.3131
435 G A -0.1232
436 L A 0.0152
437 V A 0.0000
438 K A -2.1019
439 P A -1.4251
440 S A -1.2107
441 E A -1.5442
442 T A -1.2746
443 L A 0.0000
444 S A -1.0068
445 L A 0.0000
446 T A -0.6317
447 C A 0.0000
448 T A -0.9456
449 V A 0.0000
450 S A -1.1888
451 G A -1.2672
452 G A -0.9091
453 S A -0.6839
454 V A 0.0000
455 S A -0.3407
456 S A -0.6494
457 G A -0.8142
458 D A -1.5906
459 Y A -0.3560
460 Y A 0.0890
461 W A 0.0000
462 T A 0.0000
463 W A 0.0000
464 I A 0.0000
465 R A 0.0000
466 Q A -0.7628
467 S A -0.8572
468 P A -0.6428
469 G A -1.2449
470 K A -2.2227
471 G A -1.4183
472 L A 0.0000
473 E A -0.9269
474 W A 0.0000
475 I A 0.0000
476 G A 0.0000
477 H A 0.0000
478 I A 0.0000
479 Y A -0.0570
480 Y A 0.1057
481 S A -0.3308
482 G A -0.7041
483 N A -1.3417
484 T A -0.8095
485 N A -0.9298
486 Y A -0.6906
487 N A -0.7324
488 P A -1.1561
489 S A -0.8992
490 L A 0.0000
491 K A -2.0848
492 S A -1.3081
493 R A -1.3878
494 L A 0.0000
495 T A -1.0435
496 I A 0.0000
497 S A -0.4947
498 I A -0.4309
499 D A -1.1067
500 T A -0.9560
501 S A -1.2887
502 K A -2.0901
503 T A -1.3612
504 Q A -1.1821
505 F A 0.0000
506 S A -0.5913
507 L A 0.0000
508 K A -1.5989
509 L A 0.0000
510 S A -1.0335
511 S A -0.9768
512 V A 0.0000
513 T A -0.5906
514 A A -0.2657
515 A A 0.0544
516 D A 0.0000
517 T A 0.1139
518 A A 0.0000
519 I A 0.1508
520 Y A 0.0000
521 Y A 0.0000
522 C A 0.0000
523 V A 0.0000
524 R A -0.2554
525 D A 0.0000
526 R A -0.5548
527 V A 0.3095
528 T A 0.0069
529 G A 0.0000
530 A A 0.0000
531 F A 0.0000
532 D A 0.0000
533 I A 0.0000
534 W A -0.5819
535 G A 0.0000
536 Q A -1.1890
537 G A -0.5781
538 T A -0.4365
539 M A 0.0628
540 V A 0.0000
541 T A -0.1699
542 V A 0.0000
543 S A -0.9418
544 S A -1.2151
545 G A -1.5206
546 G A -1.2293
547 G A -1.2365
548 G A -1.1775
549 S A -1.0328
550 G A -1.2143
551 G A -1.2134
552 G A -1.2078
553 G A -1.2357
554 S A -1.0736
555 G A -1.2209
556 G A -1.2332
557 G A -1.2145
558 G A -1.2322
559 S A -1.0827
560 G A -1.2895
561 G A -1.3359
562 G A -1.4036
563 G A -1.3356
564 S A -1.6828
565 D A -2.1374
566 I A 0.0000
567 Q A -2.0389
568 M A 0.0000
569 T A -1.1667
570 Q A -0.7771
571 S A -0.8427
572 P A -0.7181
573 S A -0.9595
574 S A -1.3342
575 L A -1.0907
576 S A -1.5586
577 A A 0.0000
578 S A -0.9905
579 V A -0.1873
580 G A -0.8716
581 D A -1.7544
582 R A -2.3484
583 V A 0.0000
584 T A -0.6289
585 I A 0.0000
586 T A -0.7935
587 C A 0.0000
588 Q A -2.3398
589 A A 0.0000
590 S A -2.1255
591 Q A -2.9419
592 D A -2.9019
593 I A 0.0000
594 S A -1.3115
595 N A -1.0815
596 Y A -0.2217
597 L A 0.0000
598 N A 0.0000
599 W A 0.0000
600 Y A 0.0000
601 Q A -0.8188
602 Q A -0.9027
603 K A -1.0068
604 P A -0.4507
605 G A -0.4369
606 K A -0.9702
607 A A -0.7699
608 P A 0.0000
609 K A -1.1869
610 L A 0.0000
611 L A 0.0000
612 I A 0.0000
613 Y A -0.4293
614 D A -1.0928
615 A A 0.0000
616 S A -1.0046
617 N A -1.2088
618 L A -0.2512
619 E A 0.0000
620 T A -0.2427
621 G A -0.3679
622 V A -0.1777
623 P A -0.2816
624 S A -0.3756
625 R A -0.7041
626 F A 0.0000
627 S A -0.4455
628 G A 0.0000
629 S A -1.0039
630 G A -1.2470
631 S A -1.4382
632 G A -1.8221
633 T A -2.3101
634 D A -2.5448
635 F A 0.0000
636 T A -0.7463
637 F A 0.0000
638 T A -0.5815
639 I A 0.0000
640 S A -1.3086
641 S A -1.2120
642 L A 0.0000
643 Q A -0.5339
644 P A -0.5663
645 E A -1.0036
646 D A 0.0000
647 I A -1.0060
648 A A 0.0000
649 T A -1.2190
650 Y A 0.0000
651 F A 0.0000
652 C A 0.0000
653 Q A 0.0000
654 H A 0.0000
655 F A 0.0157
656 D A -0.9603
657 H A -0.5922
658 L A -0.0120
659 P A -0.2856
660 L A 0.0000
661 A A -0.6410
662 F A 0.0000
663 G A 0.0000
664 G A -1.3442
665 G A 0.0000
666 T A 0.0000
667 K A -2.3240
668 V A 0.0000
669 E A -2.1850
670 I A -1.2780
671 K A -2.0130
672 S A -1.5084
673 S A -1.1390
674 G A -1.4170
675 S A -0.9287
676 G A -1.1121
677 G A -1.1533
678 S A -1.0242
679 G A -1.2218
680 G A -1.3796
681 S A -1.5413
682 H A -2.2391
683 H A -2.5395
684 H A -2.7420
685 H A -2.6965
686 H A -2.4141
687 H A -1.9063
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Laboratory of Theory of Biopolymers 2018