Project name: LCGH38

Status: done

Started: 2026-04-15 18:11:36
Settings
Chain sequence(s) A: MVKAYLVNHTHWDREWYFTTQDAQVLSDQLFTQVLDELESHPEANFTLDGQMSIIDEYVEIHPEAKERIHDLVERGQLFIGPWYTQTDANIPAAESLLRNLVIGINDARKYYGRAMMLGYLPDTFGFNANLPMILNQVGIHDFLSWRGTNFKRQAGSVYFKWRALGNSVVFAANFPLGYYTGQIDLASKKNLKDFVKNRLDKGIEFEAKNGNNDEVLIPSGIDQMNIVHNISDTVKKINQYSKNDVQISTYPEFMKRLRSKKLNTYQGELRYPTYSRVHRTIASVRSRNKRKNFKLEQDILRRVEPLMLIAKKSGIQVSNGLLIKLWKQLFDSQPHDTLGGSVTDNVAVDIDHRFKQAFEIADGLENYIKKRIAQRLNLTDKDVIVFNTDPYDFDGYKLITFMSASKKIKFPDKYEATLVKEKYTPTRPNIMQLTPNGFEFKDEPGYYKLYVLIKLRMNGLGYKVIHFEDADQELTSLQELDNNSIANDQLTVVYQDGKFTLRDKNQEYYDVISVYDQANDGDTYDFSPLRKDHEIRLNWNGKLTKKETSTYKELILEGKWLLPYSLDDRLKEDGQKKEVPFKLTVSLTNGEKVLSCRLHINNTVLAHRLRLRMRSRMQTEYAHTQIQGGFRKTKNEPIDDNWNDEFVEKPVNIYIFDRAVGQNDGKNGLYFFGKGEKEYELVDDSIYVTLMATTGQLGKSNLLWRPGRASGDTTSVGHVMTPTPMAEELGNNDFEFGITPFTGEELSEKNIATRLDKWLSPNVSYQIQKYNLFVNRLDNKIWDIEFPDNLPKITDEESYLDLNLLDGIEVSALYPAYTIKDTMVLRLSNMTSETIDLSFLKKKGYIKTNALEEVDRSDYKVGPYDMNTFIRKM
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                                          (00:16:42)
[INFO]       Main:     Simulation completed successfully.                                          (00:16:52)
Show buried residues

Minimal score value
-4.0595
Maximal score value
1.9968
Average score
-0.8032
Total score value
-701.9979

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 M A 0.1135
2 V A -1.1068
3 K A -1.2537
4 A A 0.0000
5 Y A 0.0000
6 L A 0.0000
7 V A 0.0000
8 N A 0.0000
9 H A 0.0000
10 T A 0.0000
11 H A 0.0000
12 W A 0.0000
13 D A 0.0000
14 R A 0.0000
15 E A 0.0000
16 W A 0.5427
17 Y A 0.8443
18 F A 0.2073
19 T A -0.8353
20 T A -0.6720
21 Q A -1.2538
22 D A -0.7409
23 A A 0.0000
24 Q A -0.1082
25 V A 0.8399
26 L A 0.4561
27 S A 0.0000
28 D A -0.3310
29 Q A -1.1026
30 L A 0.0000
31 F A 0.0000
32 T A -1.3156
33 Q A -2.0931
34 V A 0.0000
35 L A 0.0000
36 D A -2.2519
37 E A -1.9071
38 L A 0.0000
39 E A -2.5885
40 S A -1.6264
41 H A -1.6813
42 P A -1.6996
43 E A -1.7836
44 A A 0.0000
45 N A 0.0000
46 F A 0.0000
47 T A 0.0000
48 L A 0.0000
49 D A 0.0000
50 G A 0.0000
51 Q A 0.0000
52 M A 0.0000
53 S A 0.0000
54 I A 0.0000
55 I A 0.0000
56 D A -0.8501
57 E A -1.0109
58 Y A 0.0000
59 V A -1.3422
60 E A -1.6232
61 I A 0.0269
62 H A -0.9065
63 P A -1.8301
64 E A -2.6570
65 A A 0.0000
66 K A -2.7035
67 E A -3.2991
68 R A -3.1371
69 I A 0.0000
70 H A -3.4686
71 D A -3.9910
72 L A 0.0000
73 V A 0.0000
74 E A -3.8949
75 R A -3.3405
76 G A -2.2187
77 Q A 0.0000
78 L A 0.0000
79 F A -0.3823
80 I A 0.0000
81 G A 0.0000
82 P A 0.0000
83 W A 0.0000
84 Y A 0.0000
85 T A 0.0000
86 Q A 0.0000
87 T A 0.0000
88 D A 0.0000
89 A A 0.0000
90 N A 0.0000
91 I A 0.0000
92 P A 0.0000
93 A A -0.0433
94 A A 0.0000
95 E A 0.0000
96 S A 0.0000
97 L A 0.0000
98 L A 0.0000
99 R A 0.0000
100 N A 0.0000
101 L A 0.0000
102 V A 0.0000
103 I A 0.0000
104 G A 0.0000
105 I A 0.0000
106 N A -1.4666
107 D A 0.0000
108 A A 0.0000
109 R A -3.0608
110 K A -2.6452
111 Y A -1.6090
112 Y A 0.0000
113 G A -3.0947
114 R A -2.9810
115 A A -1.3523
116 M A 0.0000
117 M A -0.1450
118 L A 0.0000
119 G A 0.0000
120 Y A 0.0000
121 L A 0.0000
122 P A 0.0000
123 D A 0.0000
124 T A 0.0000
125 F A 0.0000
126 G A 0.0000
127 F A 0.0000
128 N A 0.0000
129 A A 0.0000
130 N A 0.0000
131 L A 0.0000
132 P A 0.0000
133 M A 0.0000
134 I A 0.0000
135 L A 0.0000
136 N A -0.6562
137 Q A -0.5521
138 V A 0.0000
139 G A -0.8137
140 I A 0.0000
141 H A -0.8921
142 D A 0.0000
143 F A 0.0000
144 L A 0.0000
145 S A 0.0000
146 W A 0.0000
147 R A 0.0000
148 G A 0.0000
149 T A 0.0000
150 N A 0.0000
151 F A 0.0000
152 K A -2.4146
153 R A -2.0125
154 Q A -1.5667
155 A A 0.0000
156 G A -1.5820
157 S A -1.2678
158 V A 0.0000
159 Y A 0.0000
160 F A 0.0000
161 K A -1.3800
162 W A 0.0000
163 R A -1.2699
164 A A 0.0000
165 L A -0.5298
166 G A 0.0000
167 N A -1.4705
168 S A -0.8616
169 V A -0.6857
170 V A 0.0000
171 F A -0.7082
172 A A 0.0000
173 A A 0.0000
174 N A 0.0000
175 F A 0.0000
176 P A 0.0000
177 L A 0.7151
178 G A 0.0000
179 Y A 0.0000
180 Y A 0.3581
181 T A 0.0000
182 G A 0.0000
183 Q A -0.1096
184 I A 0.0000
185 D A -0.6881
186 L A 0.2404
187 A A -0.5083
188 S A -1.7065
189 K A -1.9965
190 K A -2.7002
191 N A -3.1837
192 L A 0.0000
193 K A -3.9183
194 D A -4.0595
195 F A 0.0000
196 V A 0.0000
197 K A -3.7460
198 N A -3.1203
199 R A -2.6293
200 L A 0.0000
201 D A 0.0000
202 K A -2.8372
203 G A 0.0000
204 I A 0.0000
205 E A -2.8260
206 F A -1.2850
207 E A 0.0000
208 A A -2.4418
209 K A -2.7838
210 N A -1.9016
211 G A -1.8214
212 N A -2.6383
213 N A 0.0000
214 D A -2.5288
215 E A -1.5859
216 V A 0.0000
217 L A 0.0000
218 I A 0.0000
219 P A 0.0000
220 S A 0.0000
221 G A 0.0000
222 I A -0.4302
223 D A -1.4036
224 Q A -0.7932
225 M A -0.6914
226 N A -1.1808
227 I A 0.0000
228 V A 0.0000
229 H A -1.4469
230 N A -1.4219
231 I A 0.0000
232 S A -1.6271
233 D A -2.0227
234 T A 0.0000
235 V A 0.0000
236 K A -2.9259
237 K A -2.8748
238 I A 0.0000
239 N A -2.4221
240 Q A -2.3373
241 Y A -1.7338
242 S A 0.0000
243 K A -2.0980
244 N A -1.2476
245 D A -1.1810
246 V A 0.0000
247 Q A -0.7682
248 I A -0.1047
249 S A 0.0000
250 T A 0.0000
251 Y A 0.0000
252 P A 0.0000
253 E A -2.5182
254 F A 0.0000
255 M A 0.0000
256 K A -3.3703
257 R A -3.1050
258 L A 0.0000
259 R A -2.9046
260 S A -2.2567
261 K A -2.5555
262 K A -2.5449
263 L A -1.7520
264 N A -1.6881
265 T A -1.2605
266 Y A -1.1223
267 Q A -1.3994
268 G A -0.7696
269 E A -0.5544
270 L A 0.0000
271 R A -0.2560
272 Y A -0.1249
273 P A 0.0000
274 T A -0.3506
275 Y A 0.5425
276 S A 0.0000
277 R A -0.0680
278 V A 0.0000
279 H A 0.0000
280 R A -0.2888
281 T A 0.0000
282 I A 0.0000
283 A A 0.0000
284 S A 0.0000
285 V A 0.0000
286 R A 0.0000
287 S A 0.0000
288 R A -1.4188
289 N A -1.1811
290 K A 0.0000
291 R A -1.4329
292 K A -1.8236
293 N A 0.0000
294 F A 0.0000
295 K A -1.6541
296 L A 0.0000
297 E A 0.0000
298 Q A -0.8028
299 D A 0.0000
300 I A 0.0000
301 L A -0.1887
302 R A -0.2990
303 R A -0.6863
304 V A 0.0000
305 E A 0.0000
306 P A 0.0000
307 L A 0.0000
308 M A 0.0000
309 L A 0.0000
310 I A 0.0000
311 A A 0.0000
312 K A -1.4537
313 K A -1.3279
314 S A 0.0000
315 G A -1.1364
316 I A 0.0000
317 Q A -1.4428
318 V A -0.5055
319 S A -0.3980
320 N A -0.5352
321 G A -0.5060
322 L A -0.1083
323 L A 0.0000
324 I A -0.3954
325 K A -1.3376
326 L A 0.0000
327 W A 0.0000
328 K A -0.7627
329 Q A -1.0311
330 L A 0.0000
331 F A 0.0000
332 D A -0.3744
333 S A 0.0000
334 Q A 0.0000
335 P A 0.0000
336 H A 0.0000
337 D A 0.0000
338 T A 0.0000
339 L A 0.0000
340 G A 0.0000
341 G A 0.0000
342 S A 0.0000
343 V A 0.0000
344 T A 0.0000
345 D A -0.5343
346 N A -1.0105
347 V A 0.0000
348 A A 0.0000
349 V A -0.7269
350 D A -2.0059
351 I A 0.0000
352 D A -2.7795
353 H A -2.7352
354 R A -2.2240
355 F A 0.0000
356 K A -3.1034
357 Q A -2.3417
358 A A 0.0000
359 F A -1.5928
360 E A -1.8601
361 I A -1.0872
362 A A 0.0000
363 D A -2.1597
364 G A 0.0000
365 L A 0.0000
366 E A 0.0000
367 N A 0.0000
368 Y A -0.3307
369 I A 0.0000
370 K A 0.0000
371 K A 0.0000
372 R A -0.4579
373 I A 0.0000
374 A A 0.0000
375 Q A -0.8830
376 R A -1.1144
377 L A -1.1017
378 N A -1.4036
379 L A -0.8028
380 T A -0.7494
381 D A -0.7827
382 K A -1.1488
383 D A -0.9450
384 V A 0.0000
385 I A 0.0000
386 V A 0.0000
387 F A 0.0000
388 N A 0.0000
389 T A 0.0000
390 D A 0.0000
391 P A 0.0000
392 Y A -1.8393
393 D A -3.3944
394 F A -2.6134
395 D A -3.3733
396 G A -2.1198
397 Y A -1.0855
398 K A 0.0000
399 L A 0.0400
400 I A 0.0000
401 T A -0.4221
402 F A 0.0000
403 M A 0.0000
404 S A 0.0000
405 A A -0.2575
406 S A -1.0144
407 K A -2.4419
408 K A -3.8197
409 I A 0.0000
410 K A -3.4214
411 F A 0.0000
412 P A -2.1675
413 D A -3.1853
414 K A -3.0095
415 Y A 0.0000
416 E A -2.2349
417 A A -1.2661
418 T A 0.0000
419 L A 0.0000
420 V A -0.9972
421 K A -2.5960
422 E A -2.8298
423 K A -2.2149
424 Y A 0.0662
425 T A -0.1406
426 P A -0.5738
427 T A -1.5112
428 R A -2.6131
429 P A -2.2984
430 N A -2.1389
431 I A -0.6501
432 M A 1.0404
433 Q A 0.8262
434 L A 1.7878
435 T A 0.4418
436 P A -0.5160
437 N A -1.0230
438 G A 0.2005
439 F A 1.9968
440 E A 0.1498
441 F A 0.4337
442 K A -2.5808
443 D A -3.1795
444 E A -2.1462
445 P A -1.5561
446 G A -0.5896
447 Y A 0.0000
448 Y A -0.4022
449 K A -1.1781
450 L A 0.0000
451 Y A -0.9669
452 V A 0.0000
453 L A 0.0000
454 I A 0.0000
455 K A -2.2300
456 L A 0.0000
457 R A -3.3088
458 M A 0.0000
459 N A -3.1774
460 G A 0.0000
461 L A 0.0000
462 G A 0.0000
463 Y A 0.0000
464 K A -1.9269
465 V A -1.1446
466 I A 0.0000
467 H A -1.3040
468 F A 0.0000
469 E A -2.9464
470 D A -3.7549
471 A A -3.5163
472 D A -3.7269
473 Q A -3.7802
474 E A -3.7515
475 L A -2.1093
476 T A -1.1674
477 S A -1.3419
478 L A -1.3652
479 Q A -2.2333
480 E A -2.9459
481 L A -2.1174
482 D A -2.5314
483 N A -2.1111
484 N A -1.4055
485 S A -0.8208
486 I A 0.0000
487 A A -0.8631
488 N A -1.5988
489 D A -2.6839
490 Q A -2.4282
491 L A 0.0000
492 T A -1.4222
493 V A 0.0000
494 V A -0.3527
495 Y A -1.0477
496 Q A -2.1714
497 D A -2.8121
498 G A 0.0000
499 K A -1.4575
500 F A 0.0000
501 T A -0.5017
502 L A 0.0000
503 R A -3.0748
504 D A -3.1646
505 K A -3.3551
506 N A -2.8112
507 Q A -2.9907
508 E A -3.3137
509 Y A 0.0000
510 Y A -0.2099
511 D A 0.0000
512 V A 0.0000
513 I A 0.0000
514 S A 0.0000
515 V A 0.0000
516 Y A -0.5243
517 D A 0.0000
518 Q A -0.6594
519 A A 0.0000
520 N A 0.0000
521 D A 0.0000
522 G A 0.0000
523 D A 0.0000
524 T A 0.0000
525 Y A 0.0000
526 D A 0.0000
527 F A 0.0000
528 S A 0.0000
529 P A -0.6542
530 L A -1.1920
531 R A -2.2213
532 K A -2.6104
533 D A -1.9329
534 H A -1.9390
535 E A -1.1201
536 I A -0.7600
537 R A -1.3074
538 L A 0.0000
539 N A -2.3776
540 W A 0.0000
541 N A -3.0698
542 G A -2.8287
543 K A -2.6700
544 L A -1.5078
545 T A -1.3997
546 K A 0.0000
547 K A -2.0043
548 E A -1.4456
549 T A 0.0000
550 S A -0.5875
551 T A 0.0000
552 Y A -0.2274
553 K A -0.7166
554 E A -0.6507
555 L A 0.0000
556 I A -0.7549
557 L A 0.0000
558 E A -2.7935
559 G A -2.9685
560 K A -3.0156
561 W A 0.0000
562 L A -0.1539
563 L A 0.0000
564 P A -1.4239
565 Y A -0.8847
566 S A -0.7009
567 L A -0.7086
568 D A -2.0942
569 D A -2.5986
570 R A -2.2137
571 L A -2.0610
572 K A -3.4957
573 E A -3.5563
574 D A -3.6727
575 G A -3.2934
576 Q A -2.9202
577 K A -2.2278
578 K A -1.8761
579 E A -2.2466
580 V A 0.0000
581 P A -1.8646
582 F A 0.0000
583 K A -1.8814
584 L A 0.0000
585 T A -0.6828
586 V A 0.0000
587 S A 0.0000
588 L A 0.0000
589 T A -0.9317
590 N A -1.5435
591 G A -1.8242
592 E A -1.7189
593 K A -1.1626
594 V A 0.0000
595 L A 0.0000
596 S A -0.4873
597 C A 0.0000
598 R A -1.4827
599 L A 0.0000
600 H A -1.5877
601 I A 0.0000
602 N A -1.4370
603 N A 0.0000
604 T A -0.4613
605 V A 0.0000
606 L A 0.5282
607 A A 0.0000
608 H A 0.0000
609 R A 0.0000
610 L A 0.0000
611 R A -0.3600
612 L A 0.0000
613 R A 0.0000
614 M A 0.0000
615 R A -0.9863
616 S A 0.0000
617 R A -2.5971
618 M A 0.0000
619 Q A -2.7071
620 T A -2.5606
621 E A -3.2435
622 Y A -2.5369
623 A A 0.0000
624 H A 0.0000
625 T A 0.0000
626 Q A 0.0000
627 I A 0.0000
628 Q A 0.0000
629 G A 0.0000
630 G A 0.0000
631 F A 0.0000
632 R A -1.2319
633 K A -2.3971
634 T A 0.0000
635 K A -3.1351
636 N A -2.1328
637 E A -1.8003
638 P A -1.3337
639 I A -1.4182
640 D A -3.3460
641 D A -3.5225
642 N A -3.6189
643 W A -2.8642
644 N A -2.9832
645 D A -3.2316
646 E A -1.9326
647 F A 0.0000
648 V A -0.3335
649 E A 0.0000
650 K A -0.6320
651 P A 0.0000
652 V A 0.0000
653 N A -0.7556
654 I A 0.0000
655 Y A -0.2271
656 I A 0.1488
657 F A 0.0000
658 D A 0.0000
659 R A -0.3340
660 A A 0.0000
661 V A 0.0000
662 G A 0.0000
663 Q A 0.0000
664 N A 0.0000
665 D A -2.8964
666 G A -2.3883
667 K A -3.0455
668 N A 0.0000
669 G A 0.0000
670 L A 0.0000
671 Y A 0.0000
672 F A 0.0000
673 F A 0.0000
674 G A 0.0000
675 K A -1.0533
676 G A 0.0000
677 E A 0.0000
678 K A 0.0000
679 E A 0.0000
680 Y A 0.0000
681 E A -0.3397
682 L A 0.0000
683 V A -0.2388
684 D A -2.2283
685 D A 0.0000
686 S A 0.0000
687 I A 0.0000
688 Y A 0.0000
689 V A 0.0000
690 T A 0.0000
691 L A 0.0000
692 M A 0.0000
693 A A 0.0000
694 T A 0.0000
695 T A 0.0000
696 G A -0.3108
697 Q A -0.5130
698 L A 0.0000
699 G A 0.0000
700 K A -1.0294
701 S A -1.4953
702 N A -1.8058
703 L A 0.0000
704 L A 0.0991
705 W A 0.0857
706 R A 0.0000
707 P A -1.1329
708 G A -1.5754
709 R A -2.6287
710 A A 0.0000
711 S A -1.0917
712 G A -1.0470
713 D A -1.6165
714 T A -0.3937
715 T A -0.5730
716 S A -0.1028
717 V A 1.3517
718 G A 0.3344
719 H A 0.3004
720 V A 1.6095
721 M A 0.7772
722 T A 0.4629
723 P A -0.1682
724 T A 0.0000
725 P A 0.0325
726 M A 0.5768
727 A A 0.0000
728 E A 0.0000
729 E A 0.0000
730 L A 0.9107
731 G A -0.3223
732 N A -1.5557
733 N A 0.0000
734 D A -1.8025
735 F A 0.0000
736 E A -1.3754
737 F A 0.0000
738 G A 0.0000
739 I A 0.0000
740 T A 0.0000
741 P A 0.0000
742 F A 0.0000
743 T A -2.2100
744 G A -2.4126
745 E A -2.8803
746 E A -2.4846
747 L A -1.9552
748 S A -1.3152
749 E A -1.2552
750 K A -1.9509
751 N A -1.7273
752 I A 0.0000
753 A A 0.0000
754 T A -1.3270
755 R A 0.0000
756 L A 0.0000
757 D A -1.0493
758 K A -1.9754
759 W A -0.8742
760 L A 0.0000
761 S A -0.8906
762 P A 0.0000
763 N A -0.8488
764 V A 0.0000
765 S A -0.2034
766 Y A 0.0000
767 Q A 0.0000
768 I A -0.3397
769 Q A -0.5075
770 K A -1.5585
771 Y A -0.4333
772 N A 0.2046
773 L A 0.3224
774 F A 1.3752
775 V A 0.9496
776 N A -0.2594
777 R A -1.4786
778 L A -1.0424
779 D A 0.0000
780 N A -1.4393
781 K A -2.0046
782 I A 0.0000
783 W A -0.4267
784 D A -1.3940
785 I A -0.5664
786 E A -1.7761
787 F A -1.2484
788 P A -1.6103
789 D A -2.7970
790 N A -2.3011
791 L A -1.4372
792 P A -1.6254
793 K A -2.1770
794 I A 0.0000
795 T A -1.9480
796 D A -2.8946
797 E A -3.0847
798 E A -1.9462
799 S A -1.4340
800 Y A -0.3936
801 L A 0.0000
802 D A -2.1322
803 L A 0.0000
804 N A -1.7349
805 L A -0.8985
806 L A -0.8463
807 D A -2.0191
808 G A 0.0000
809 I A 0.0000
810 E A -0.4322
811 V A 0.0989
812 S A 0.0121
813 A A 0.0000
814 L A 0.0000
815 Y A 0.0000
816 P A 0.0000
817 A A 0.0000
818 Y A -0.2751
819 T A -0.4853
820 I A -0.9697
821 K A -2.3437
822 D A -2.7597
823 T A 0.0000
824 M A 0.0000
825 V A 0.0000
826 L A 0.0000
827 R A 0.0000
828 L A 0.0000
829 S A 0.0000
830 N A 0.0000
831 M A 0.0000
832 T A 0.0000
833 S A -1.2837
834 E A -2.1090
835 T A -1.5896
836 I A -1.6109
837 D A -2.2479
838 L A 0.0000
839 S A -1.8655
840 F A -1.3495
841 L A 0.0000
842 K A -2.8505
843 K A -2.8606
844 K A -2.4093
845 G A -2.0228
846 Y A 0.0000
847 I A -0.1375
848 K A 0.0000
849 T A 0.0000
850 N A -0.6152
851 A A 0.0000
852 L A 0.0000
853 E A -0.0220
854 E A -0.3194
855 V A 0.7623
856 D A -1.0701
857 R A -2.1632
858 S A -2.0671
859 D A -3.1384
860 Y A 0.0000
861 K A -2.3362
862 V A 0.0000
863 G A -1.3635
864 P A -1.1800
865 Y A -0.5858
866 D A -0.8291
867 M A 0.0000
868 N A 0.0000
869 T A 0.0000
870 F A 0.0000
871 I A -0.0658
872 R A -1.6865
873 K A -2.3803
874 M A -1.4716
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Laboratory of Theory of Biopolymers 2018