Project name: query_structure

Status: done

Started: 2026-03-16 23:18:21
Settings
Chain sequence(s) A: NVRWCTISQPEWFKCRRWQWRMKKLGAPSITCVRRAFALECIRAIAEKKADAVTLDGGMVFEAGRDPYKLRPVAAEIYGTKESPQTHYYAVAVVKKGSNFQLDQLQGRKSCHTGLGRSAGWIIPMGILRPYLSWTESLEPLQGAVAKFFSASCVPCIDRQAYPNLCQLCKGEGENQCACSSREPYFGYSGAFKCLQDGAGDVAFVKETTVFENLPEKADRDQYELLCLNNSRAPVDAFKECHLAQVPSHAVVARSVDGKEDLIWKLLSKAQEKFGKNKSRSFQLFGSPPGQRDLLFKDSALGFLRIPSKVDSALYLGSRYLTTLKNLRETAEEVKARYTRVVWCAVGPEEQKKCQQWSQQSGQNVTCATASTTDDCIVLVLKGEADALNLDGGYIYTAGKCGLVPVLAENRKSSKHSSLDCVLRPTEGYLAVAVVKKANEGLTWNSLKDKKSCHTAVDRTAGWNIPMGLIVNQTGSCAFDEFFSQSCAPGADPKSRLCALCAGDDQGLDKCVPNSKEKYYGYTGAFRCLAEDVGDVAFVKNDTVWENTNGESTADWAKNLNREDFRLLCLDGTRKPVTEAQSCHLAVAPNHAVVSRSDRAAHVKQVLLHQQALFGKNGKNCPDKFCLFKSETKNLLFNDNTECLAKLGGRPTYEEYLGTEYVTAIANLKKCSTSPLLEACAFLTR
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                                          (00:23:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:23:41)
Show buried residues

Minimal score value
-3.9439
Maximal score value
1.4672
Average score
-0.9311
Total score value
-637.7934

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
5 N A -1.4697
6 V A 0.0000
7 R A -1.2432
8 W A 0.0000
9 C A 0.0000
10 T A 0.0000
11 I A -0.2737
12 S A 0.0000
13 Q A -0.6412
14 P A -0.4298
15 E A -0.6055
16 W A -0.5158
17 F A -0.0877
18 K A 0.0000
19 C A 0.0000
20 R A -2.0210
21 R A -1.8926
22 W A 0.0000
23 Q A -1.4101
24 W A -0.9143
25 R A -1.4045
26 M A 0.0000
27 K A -2.3917
28 K A -2.3202
29 L A -1.4091
30 G A -1.3618
31 A A -1.1742
32 P A 0.0000
33 S A -1.0846
34 I A 0.0000
35 T A -0.8021
36 C A -0.7891
37 V A -0.9313
38 R A -1.3004
39 R A -1.4086
40 A A -0.5073
41 F A 0.4463
42 A A 0.0119
43 L A -0.3355
44 E A -1.0714
45 C A 0.0000
46 I A 0.0000
47 R A -2.9027
48 A A 0.0000
49 I A 0.0000
50 A A -2.7479
51 E A -3.6843
52 K A -3.9439
53 K A -3.4091
54 A A 0.0000
55 D A 0.0000
56 A A 0.0000
57 V A 0.0000
58 T A -0.0600
59 L A 0.0000
60 D A -0.2692
61 G A 0.0000
62 G A 0.0000
63 M A -0.1622
64 V A 0.0000
65 F A 0.0000
66 E A -1.4751
67 A A 0.0000
68 G A -2.3998
69 R A -3.5081
70 D A -3.3938
71 P A -2.7691
72 Y A -2.7110
73 K A -2.7974
74 L A 0.0000
75 R A -1.0340
76 P A 0.0000
77 V A 0.0000
78 A A 0.0000
79 A A 0.0000
80 E A 0.0000
81 I A 0.0004
82 Y A 0.0000
83 G A -1.0830
84 T A -1.7081
85 K A -2.8196
86 E A -2.8989
87 S A -1.9028
88 P A -1.4533
89 Q A -1.0087
90 T A -0.4562
91 H A -0.5599
92 Y A 0.0000
93 Y A 0.0000
94 A A 0.0000
95 V A 0.0000
96 A A 0.0000
97 V A 0.0000
98 V A 0.0000
99 K A -2.6741
100 K A -3.2188
101 G A -1.9926
102 S A -1.8056
103 N A -1.9593
104 F A 0.0000
105 Q A -2.0859
106 L A 0.0000
107 D A -2.4495
108 Q A -2.7076
109 L A 0.0000
110 Q A -2.4429
111 G A -1.9351
112 R A -1.7186
113 K A -1.5483
114 S A 0.0000
115 C A 0.0000
116 H A 0.0000
117 T A 0.0000
118 G A 0.0000
119 L A -0.0378
120 G A -0.1605
121 R A -0.2721
122 S A 0.0000
123 A A 0.0000
124 G A 0.0000
125 W A 0.0000
126 I A 0.0000
127 I A 0.0000
128 P A 0.0000
129 M A 0.0000
130 G A -0.2566
131 I A 0.1369
132 L A 0.0000
133 R A -0.2045
134 P A -0.2995
135 Y A -0.3253
136 L A 0.0000
137 S A -0.3724
138 W A -0.2200
139 T A -0.2072
140 E A -0.8064
141 S A -0.0437
142 L A 0.7413
143 E A -0.6256
144 P A -0.8356
145 L A 0.0000
146 Q A -0.9044
147 G A 0.0000
148 A A -0.7644
149 V A 0.0000
150 A A 0.0000
151 K A -2.0627
152 F A 0.0000
153 F A 0.0000
154 S A -1.5129
155 A A -1.1536
156 S A 0.0000
157 C A 0.0000
158 V A 0.0000
159 P A 0.0000
160 C A -0.2383
161 I A 0.0000
162 D A -2.7447
163 R A -3.1935
164 Q A -2.4132
165 A A -1.5655
166 Y A -1.6421
167 P A -1.7433
168 N A -1.4431
169 L A 0.0000
170 C A 0.0000
171 Q A -1.8049
172 L A -1.0392
173 C A 0.0000
174 K A -2.7618
175 G A -2.6409
176 E A -3.1777
177 G A -2.5846
178 E A -2.8142
179 N A -2.3676
180 Q A -2.5844
181 C A 0.0000
182 A A -1.0903
183 C A 0.2654
184 S A 0.0000
185 S A -0.8153
186 R A -1.6572
187 E A 0.0000
188 P A -1.4406
189 Y A 0.0000
190 F A -0.3318
191 G A -0.3086
192 Y A 0.0000
193 S A -0.8336
194 G A 0.0000
195 A A 0.0000
196 F A 0.0000
197 K A -2.0879
198 C A 0.0000
199 L A 0.0000
200 Q A -2.2339
201 D A -2.7532
202 G A -1.9965
203 A A -1.5452
204 G A 0.0000
205 D A -1.2012
206 V A 0.0000
207 A A 0.0000
208 F A 0.0000
209 V A 0.0000
210 K A 0.0000
211 E A 0.0000
212 T A -0.3455
213 T A 0.0000
214 V A 0.0000
215 F A -0.9961
216 E A -1.0358
217 N A -1.1689
218 L A -1.7328
219 P A -1.9124
220 E A -3.4407
221 K A -3.6340
222 A A -2.8117
223 D A -3.1979
224 R A -3.5239
225 D A -3.7765
226 Q A -3.0125
227 Y A 0.0000
228 E A -1.8455
229 L A 0.0000
230 L A 0.0000
231 C A -0.5959
232 L A -0.3881
233 N A -1.3573
234 N A -1.5062
235 S A -1.0050
236 R A -1.0626
237 A A -0.9979
238 P A -1.4518
239 V A 0.0000
240 D A -2.2510
241 A A -1.8771
242 F A -1.7685
243 K A -2.8368
244 E A -2.6874
245 C A 0.0000
246 H A -0.9158
247 L A 0.0000
248 A A -0.3715
249 Q A -1.0759
250 V A 0.0000
251 P A -0.3393
252 S A 0.0000
253 H A -0.1911
254 A A 0.0000
255 V A 0.0000
256 V A 0.0000
257 A A 0.0000
258 R A 0.0000
259 S A -0.4372
260 V A 0.4403
261 D A -1.4284
262 G A 0.0000
263 K A -1.8243
264 E A -1.7815
265 D A -2.1725
266 L A -1.4379
267 I A 0.0000
268 W A -1.3064
269 K A -1.7039
270 L A 0.0000
271 L A 0.0000
272 S A -1.4788
273 K A -2.0223
274 A A 0.0000
275 Q A -2.1884
276 E A -3.2601
277 K A -2.8868
278 F A 0.0000
279 G A 0.0000
280 K A -2.5230
281 N A -3.0491
282 K A -3.5847
283 S A -2.7826
284 R A -2.5866
285 S A -1.4822
286 F A 0.0000
287 Q A -1.7686
288 L A 0.0000
289 F A 0.0000
290 G A -0.7983
291 S A -0.9046
292 P A -0.8503
293 P A -0.9575
294 G A -1.2315
295 Q A -1.4114
296 R A -1.4376
297 D A -1.0955
298 L A 0.0000
299 L A 0.0000
300 F A 0.0000
301 K A 0.0000
302 D A -0.8304
303 S A -0.7113
304 A A 0.0000
305 L A -0.5025
306 G A 0.0000
307 F A 0.0000
308 L A -0.1022
309 R A -0.9741
310 I A 0.0000
311 P A -1.0632
312 S A -1.4355
313 K A -1.8092
314 V A 0.0000
315 D A -1.2729
316 S A 0.0000
317 A A -0.5066
318 L A 0.0000
319 Y A -0.1325
320 L A 0.0000
321 G A -0.6990
322 S A -1.3067
323 R A -2.0242
324 Y A 0.0000
325 L A 0.0000
326 T A -1.3143
327 T A -0.9812
328 L A 0.0000
329 K A -1.4565
330 N A -1.6989
331 L A -1.3535
332 R A -2.5482
333 E A -2.5787
334 T A -2.1506
335 A A -2.1404
336 E A -3.0288
337 E A -2.9183
338 V A -2.2085
339 K A -2.6473
340 A A -1.8173
341 R A -1.2183
342 Y A -0.2293
343 T A -0.6588
344 R A -1.1194
345 V A 0.0000
346 V A 0.0000
347 W A 0.0000
348 C A 0.0000
349 A A 0.0000
350 V A 0.0000
351 G A 0.0000
352 P A -1.2325
353 E A -1.8948
354 E A -1.8104
355 Q A -2.0981
356 K A -2.8489
357 K A 0.0000
358 C A 0.0000
359 Q A -2.8292
360 Q A -2.4165
361 W A 0.0000
362 S A 0.0000
363 Q A -2.5618
364 Q A -2.0044
365 S A 0.0000
366 G A -2.0307
367 Q A -2.7214
368 N A -2.3232
369 V A 0.0000
370 T A -1.1530
371 C A -0.8431
372 A A -0.4050
373 T A -0.3637
374 A A -0.6948
375 S A -0.6987
376 T A -0.8844
377 T A 0.0000
378 D A -1.5083
379 D A -1.6623
380 C A 0.0000
381 I A 0.0000
382 V A -0.7073
383 L A -0.7027
384 V A 0.0000
385 L A -0.3689
386 K A -0.8514
387 G A -1.1449
388 E A -1.5004
389 A A 0.0000
390 D A 0.0000
391 A A 0.0000
392 L A 0.0000
393 N A -0.1425
394 L A 0.0000
395 D A 0.0000
396 G A 0.0000
397 G A 0.0000
398 Y A -0.2657
399 I A 0.0000
400 Y A 0.0000
401 T A -0.5375
402 A A 0.0000
403 G A -0.7779
404 K A -1.3004
405 C A -0.5959
406 G A -0.6895
407 L A 0.0000
408 V A -0.4743
409 P A 0.0000
410 V A 0.0000
411 L A 0.0000
412 A A 0.0000
413 E A 0.0000
414 N A 0.0000
415 R A -1.7965
416 K A -2.6250
417 S A -2.1476
418 S A -1.7468
419 K A -2.2195
420 H A -1.7703
421 S A -1.3169
422 S A -0.8276
423 L A -0.3350
424 D A -1.0803
425 C A 0.0000
426 V A 0.1851
427 L A 0.8421
428 R A 0.0000
429 P A -0.7246
430 T A -1.2614
431 E A -1.9817
432 G A -0.5386
433 Y A 0.0000
434 L A 0.3350
435 A A 0.0000
436 V A 0.0000
437 A A 0.0000
438 V A 0.0000
439 V A 0.0000
440 K A -2.4872
441 K A -3.0532
442 A A -2.0596
443 N A -2.8816
444 E A -2.9891
445 G A -1.9596
446 L A 0.0000
447 T A -1.2417
448 W A 0.0000
449 N A -1.7800
450 S A -1.5576
451 L A 0.0000
452 K A -3.0202
453 D A -3.2591
454 K A -2.2372
455 K A -1.8032
456 S A 0.0000
457 C A 0.0000
458 H A 0.0000
459 T A 0.0000
460 A A 0.0000
461 V A -0.0918
462 D A -0.4238
463 R A 0.0000
464 T A 0.0000
465 A A 0.0000
466 G A 0.0000
467 W A 0.0000
468 N A 0.0000
469 I A 0.4535
470 P A 0.0000
471 M A 0.0000
472 G A -0.3172
473 L A -0.2632
474 I A 0.0000
475 V A -0.7790
476 N A -1.8975
477 Q A -1.8730
478 T A -1.0437
479 G A -1.1914
480 S A -0.4462
481 C A -0.3390
482 A A -0.5073
483 F A -0.6134
484 D A -2.1092
485 E A -2.7990
486 F A -2.0587
487 F A 0.0000
488 S A -2.3673
489 Q A -1.8868
490 S A 0.0000
491 C A 0.0000
492 A A 0.0000
493 P A 0.0000
494 G A -0.9051
495 A A -1.5783
496 D A -2.8125
497 P A -2.6588
498 K A -2.8592
499 S A -2.5859
500 R A -2.5886
501 L A 0.0000
502 C A 0.0000
503 A A -1.3492
504 L A -0.3965
505 C A 0.0000
506 A A -1.1679
507 G A 0.0000
508 D A -2.1588
509 D A -2.5014
510 Q A -2.1277
511 G A -1.5799
512 L A -0.6166
513 D A -1.7036
514 K A -2.3636
515 C A 0.0000
516 V A -1.0738
517 P A -0.5803
518 N A 0.0000
519 S A -0.8708
520 K A -1.5217
521 E A 0.0000
522 K A -1.6020
523 Y A 0.0000
524 Y A -0.4172
525 G A 0.0000
526 Y A 0.0000
527 T A -0.5439
528 G A 0.0000
529 A A 0.0000
530 F A 0.0000
531 R A -0.9211
532 C A 0.0000
533 L A 0.0000
534 A A -1.3030
535 E A -1.7212
536 D A -2.2927
537 V A -1.0597
538 G A 0.0000
539 D A -1.6890
540 V A 0.0000
541 A A 0.0000
542 F A 0.0000
543 V A 0.0000
544 K A 0.0000
545 N A -0.6242
546 D A -0.4877
547 T A 0.0000
548 V A 0.0000
549 W A -1.0136
550 E A -1.9584
551 N A 0.0000
552 T A 0.0000
553 N A -3.0643
554 G A -2.8514
555 E A -2.9665
556 S A 0.0000
557 T A -2.2701
558 A A -2.0676
559 D A -2.5384
560 W A -1.6341
561 A A 0.0000
562 K A -3.6432
563 N A -2.8487
564 L A -2.7507
565 N A -2.8888
566 R A -2.7758
567 E A -3.4335
568 D A -3.4277
569 F A 0.0000
570 R A -2.0966
571 L A 0.0000
572 L A 0.0000
573 C A 0.0000
574 L A -0.2500
575 D A -1.6369
576 G A -1.1783
577 T A -0.9414
578 R A -1.1735
579 K A -1.1513
580 P A -1.5764
581 V A 0.0000
582 T A -1.1687
583 E A -1.7865
584 A A 0.0000
585 Q A -1.5172
586 S A -1.2408
587 C A 0.0000
588 H A -0.2364
589 L A 0.0000
590 A A 0.8099
591 V A 1.4672
592 A A 0.0000
593 P A 0.0590
594 N A 0.0000
595 H A 0.0000
596 A A 0.0000
597 V A 0.0000
598 V A 0.0000
599 S A 0.0000
600 R A -0.9130
601 S A -1.2157
602 D A -1.9682
603 R A 0.0000
604 A A -1.0144
605 A A -1.0421
606 H A -1.0126
607 V A 0.0000
608 K A -1.5495
609 Q A -1.5296
610 V A -1.1266
611 L A 0.0000
612 L A -0.7477
613 H A -1.0273
614 Q A 0.0000
615 Q A 0.0000
616 A A -0.9643
617 L A -1.0946
618 F A 0.0000
619 G A 0.0000
620 K A -2.8264
621 N A -2.5104
622 G A 0.0000
623 K A -2.6839
624 N A -2.4799
625 C A -2.5442
626 P A -2.4948
627 D A -2.9780
628 K A -2.8509
629 F A 0.0000
630 C A -1.8756
631 L A 0.0000
632 F A 0.0000
633 K A -2.7021
634 S A 0.0000
635 E A -2.6324
636 T A -2.1650
637 K A -1.9319
638 N A -1.4817
639 L A 0.0000
640 L A 0.0000
641 F A 0.0000
642 N A 0.0000
643 D A -1.6822
644 N A -1.5033
645 T A 0.0000
646 E A -1.5962
647 C A 0.0000
648 L A 0.0000
649 A A 0.0000
650 K A -0.8174
651 L A -0.6317
652 G A -1.3136
653 G A -1.6660
654 R A -2.3374
655 P A -1.7998
656 T A -1.3867
657 Y A -1.2434
658 E A -2.1430
659 E A -2.5468
660 Y A -1.1836
661 L A 0.0000
662 G A -1.4849
663 T A -1.5347
664 E A -1.9443
665 Y A 0.0000
666 V A -0.9917
667 T A -0.9673
668 A A -0.6816
669 I A 0.0000
670 A A -1.0317
671 N A -1.5606
672 L A 0.0000
673 K A -1.4394
674 K A -2.0616
675 C A -0.8776
676 S A -0.7198
677 T A -0.8831
678 S A -0.8960
679 P A -1.1300
680 L A 0.0000
681 L A -0.8729
682 E A -1.7020
683 A A 0.0000
684 C A 0.0000
685 A A -0.8150
686 F A -0.5142
687 L A -0.2332
688 T A -0.7855
689 R A -1.5886
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Laboratory of Theory of Biopolymers 2018