Project name: lks3lk

Status: done

Started: 2026-03-17 16:34:08
Settings
Chain sequence(s) A: MGSSHHHHHHSSGLVPRGSHMASMSDSEVNQEAKPEVKPEVKPETHINLKVSDGSSEIFFKIKKTTPLRRLMEAFAKRQGKEMDSLRFLYDGIRIQADQTPEDLDMEDNDIIEAHREQIGGSSGYGGLVGYGAGAGAAAGAGAGAGGAGGYIGQGGYGAGAGAAAAAGAGAGATGGYGRGAGAGATNAGGYGGQGGYGAGARAFAGAGGGGGSHTTPWTNPGLAENFMNSFMQGLSSMPGFTASQLDDMSTIAQSMVQSIQSLAAQGRTSPNKLQALNMCFASSMAEIAASEEGGGSLSTKTSSIASAMSNAFLQTTGVVNQPFINEITQLVSMFAQALADQLTSTLASALTKTNTLKAVSASKPSANVAVAIVTSGLKKALGALRINAGVSSQLTSAVSQAVANVRPGSSPAVYAKAIAAPSVQILVSSGSVNNNNAKQVASTLSENLVREMANTARRYRVNVPEASVQADVSLVTSMTSTVGTTVASTTSRLSTAEASSRISTAASTLVSGGYLNTAALPSVIADLFAQVGASSPGVSDCEVLIQVLLEIVSSLIHILSSSSVGQVDFSSVGSSAAAVGQSMQVVMGGGGGSSGYGGLVGYGAGAGAAAGAGAGAGGAGGYIGQGGYGAGAGAAAAAGAGAGATGGYGRGAGAGATNAGGYGGQGGYGAGARAFAGAG
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                                          (00:03:57)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:02)
Show buried residues

Minimal score value
-3.9186
Maximal score value
2.7616
Average score
-0.6348
Total score value
-431.6596

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 0.7830
2 G A -0.1211
3 S A -0.6607
4 S A -1.1504
5 H A -1.8975
6 H A -2.3113
7 H A -2.4425
8 H A -2.4370
9 H A -2.2676
10 H A -1.8401
11 S A -1.1842
12 S A -0.4126
13 G A 0.5707
14 L A 2.0435
15 V A 1.8400
16 P A -0.0315
17 R A -1.8237
18 G A -1.7252
19 S A -1.1282
20 H A -0.6104
21 M A 0.4589
22 A A 0.4541
23 S A 0.5148
24 M A 0.4705
25 S A -0.7762
26 D A -2.1589
27 S A -1.6900
28 E A -1.6774
29 V A -0.0711
30 N A -1.8605
31 Q A -2.4330
32 E A -3.1291
33 A A -2.2312
34 K A -2.4205
35 P A -1.8847
36 E A -1.8860
37 V A -0.4954
38 K A -1.6866
39 P A -1.5208
40 E A -1.8093
41 V A -0.5300
42 K A -1.9769
43 P A -1.7924
44 E A -2.6367
45 T A -2.0306
46 H A -2.6567
47 I A 0.0000
48 N A -1.9643
49 L A 0.0000
50 K A -0.6308
51 V A 0.0000
52 S A -1.4030
53 D A -2.2562
54 G A -1.5669
55 S A -1.0953
56 S A -1.3902
57 E A -1.7045
58 I A 0.0617
59 F A 1.0370
60 F A -0.3307
61 K A -2.0486
62 I A 0.0000
63 K A -2.6448
64 K A -3.1843
65 T A -1.6285
66 T A -1.8450
67 P A -2.7070
68 L A 0.0000
69 R A -3.8467
70 R A -3.3793
71 L A 0.0000
72 M A 0.0000
73 E A -3.7497
74 A A -2.4534
75 F A 0.0000
76 A A 0.0000
77 K A -3.8247
78 R A -3.2552
79 Q A -2.7196
80 G A -2.6277
81 K A -3.5896
82 E A -3.5062
83 M A -3.1962
84 D A -2.8612
85 S A -2.4749
86 L A 0.0000
87 R A -2.6753
88 F A 0.0000
89 L A -0.9119
90 Y A -0.5565
91 D A -1.5226
92 G A -0.7634
93 I A 0.4701
94 R A -1.1701
95 I A 0.0000
96 Q A -2.3471
97 A A -2.9410
98 D A -3.2555
99 Q A -2.6578
100 T A -2.7837
101 P A 0.0000
102 E A -3.9186
103 D A -3.4545
104 L A -2.3948
105 D A -3.3972
106 M A 0.0000
107 E A -3.4309
108 D A -3.1403
109 N A -2.2545
110 D A -1.7229
111 I A -0.5861
112 I A 0.0000
113 E A -2.0004
114 A A 0.0000
115 H A -2.4589
116 R A -3.0525
117 E A -2.2392
118 Q A -1.3784
119 I A 0.4286
120 G A -0.2130
121 G A -0.4915
122 S A -0.4641
123 S A -0.4503
124 G A -0.1190
125 Y A 0.7022
126 G A 0.2444
127 G A 0.6867
128 L A 1.9584
129 V A 2.3779
130 G A 1.4055
131 Y A 1.2098
132 G A 0.2957
133 A A -0.0983
134 G A -0.5959
135 A A -0.3777
136 G A -0.4953
137 A A -0.1613
138 A A -0.0959
139 A A -0.2013
140 G A -0.4952
141 A A -0.4535
142 G A -0.6187
143 A A -0.4543
144 G A -0.6082
145 A A -0.5217
146 G A -0.7458
147 G A -0.7507
148 A A -0.6039
149 G A -0.5137
150 G A 0.3530
151 Y A 1.9170
152 I A 2.1019
153 G A 0.0415
154 Q A -1.3434
155 G A -1.1295
156 G A -0.4538
157 Y A 0.7762
158 G A 0.0112
159 A A -0.1080
160 G A -0.6179
161 A A -0.4430
162 G A -0.4957
163 A A -0.1516
164 A A 0.0327
165 A A 0.1449
166 A A 0.0370
167 A A -0.1071
168 G A -0.4989
169 A A -0.3835
170 G A -0.6068
171 A A -0.3687
172 G A -0.5128
173 A A -0.3174
174 T A -0.4857
175 G A -0.5270
176 G A -0.2329
177 Y A 0.3232
178 G A -0.8454
179 R A -2.0809
180 G A -1.6984
181 A A -0.8576
182 G A -0.7888
183 A A -0.3860
184 G A -0.5171
185 A A -0.4830
186 T A -0.8296
187 N A -1.3656
188 A A -0.9040
189 G A -0.6805
190 G A -0.1785
191 Y A 0.6566
192 G A -0.4230
193 G A -1.1072
194 Q A -1.8628
195 G A -1.1427
196 G A -0.4918
197 Y A 0.7121
198 G A -0.0842
199 A A -0.3678
200 G A -0.8808
201 A A -0.8641
202 R A -1.3720
203 A A 0.0153
204 F A 1.3843
205 A A 0.5354
206 G A -0.0138
207 A A -0.3335
208 G A -0.9421
209 G A -1.1350
210 G A -1.1820
211 G A -1.3082
212 G A -1.2504
213 S A -0.9620
214 H A -1.1696
215 T A -0.3409
216 T A -0.3765
217 P A 0.0000
218 W A 0.0000
219 T A -0.8564
220 N A -1.5425
221 P A -1.5253
222 G A -1.3829
223 L A -1.2933
224 A A 0.0000
225 E A -2.5591
226 N A -2.3372
227 F A 0.0000
228 M A 0.0000
229 N A -2.4230
230 S A -1.8976
231 F A 0.0000
232 M A -1.1494
233 Q A -1.7255
234 G A -1.1582
235 L A 0.0000
236 S A -0.7367
237 S A -0.5031
238 M A -0.2173
239 P A -0.3452
240 G A -0.4405
241 F A -0.5930
242 T A -0.8106
243 A A -0.7357
244 S A -1.4625
245 Q A 0.0000
246 L A -1.2540
247 D A -2.5123
248 D A -2.5331
249 M A 0.0000
250 S A -1.7617
251 T A -1.3827
252 I A -0.7734
253 A A 0.0000
254 Q A -2.0164
255 S A -1.1700
256 M A 0.0000
257 V A 0.0000
258 Q A -1.9881
259 S A -1.0710
260 I A 0.0000
261 Q A -1.8244
262 S A -1.3519
263 L A -1.5490
264 A A -1.6005
265 A A -1.1869
266 Q A -2.0654
267 G A -1.9633
268 R A -2.3778
269 T A -1.9105
270 S A -1.5239
271 P A -1.4024
272 N A -1.9253
273 K A -1.9832
274 L A -1.2396
275 Q A -1.5739
276 A A -0.6574
277 L A -0.0814
278 N A 0.0000
279 M A 0.4727
280 C A 0.9923
281 F A 0.0000
282 A A 0.0000
283 S A -0.0463
284 S A -0.2713
285 M A 0.0000
286 A A 0.0000
287 E A -1.2543
288 I A -1.1070
289 A A 0.0000
290 A A 0.0000
291 S A -1.5629
292 E A -2.3179
293 E A -2.7640
294 G A -1.6125
295 G A -1.1545
296 G A -0.7617
297 S A -0.4436
298 L A -0.2261
299 S A -0.3333
300 T A -0.3144
301 K A 0.0000
302 T A -0.3141
303 S A -0.2505
304 S A 0.0000
305 I A 0.0000
306 A A -0.6124
307 S A -0.4621
308 A A 0.0000
309 M A 0.0000
310 S A -0.2733
311 N A -1.0826
312 A A 0.0000
313 F A 0.0000
314 L A 0.7920
315 Q A -0.9031
316 T A -0.5949
317 T A 0.2283
318 G A 0.4306
319 V A 1.3151
320 V A 0.7982
321 N A 0.0000
322 Q A -1.3998
323 P A -1.6229
324 F A 0.0000
325 I A 0.0000
326 N A -2.6625
327 E A -2.8143
328 I A 0.0000
329 T A -1.5074
330 Q A -1.9119
331 L A -1.0693
332 V A 0.0000
333 S A -0.8151
334 M A -0.1840
335 F A -0.3969
336 A A 0.0000
337 Q A -1.6017
338 A A -0.9597
339 L A 0.0000
340 A A 0.0000
341 D A -2.3970
342 Q A -1.5312
343 L A 0.0000
344 T A -1.3368
345 S A -1.1143
346 T A -0.4966
347 L A 0.0000
348 A A -0.7202
349 S A -0.6968
350 A A 0.0000
351 L A 0.0000
352 T A -1.1237
353 K A -1.7282
354 T A 0.0000
355 N A -1.4567
356 T A 0.0000
357 L A 0.0000
358 K A -1.5924
359 A A -1.2223
360 V A 0.0000
361 S A 0.0000
362 A A -0.9839
363 S A -1.4867
364 K A -2.2192
365 P A 0.0000
366 S A -1.1767
367 A A -1.4486
368 N A -1.0430
369 V A -0.2491
370 A A 0.0000
371 V A -0.4269
372 A A -0.0146
373 I A 0.0000
374 V A 0.0000
375 T A 0.0000
376 S A -1.0566
377 G A 0.0000
378 L A 0.0000
379 K A -2.4017
380 K A -2.5494
381 A A 0.0000
382 L A 0.0000
383 G A -1.7666
384 A A -1.0597
385 L A -1.2842
386 R A -2.1087
387 I A -1.4392
388 N A -1.7112
389 A A -1.1571
390 G A -1.0543
391 V A -0.7903
392 S A -1.3520
393 S A -1.2558
394 Q A -1.2674
395 L A 0.0000
396 T A -1.0123
397 S A -0.9161
398 A A -0.7921
399 V A 0.0000
400 S A -1.0541
401 Q A -1.5311
402 A A -1.0684
403 V A 0.0000
404 A A -1.5197
405 N A -2.0092
406 V A 0.0000
407 R A -2.4596
408 P A -2.0418
409 G A -1.6007
410 S A -0.8827
411 S A -0.4878
412 P A -0.6725
413 A A -0.2802
414 V A 0.2883
415 Y A 0.0000
416 A A 0.0000
417 K A -1.2407
418 A A -0.7987
419 I A 0.0000
420 A A 0.0000
421 A A -1.0521
422 P A -0.8773
423 S A 0.0000
424 V A 0.0000
425 Q A -1.5519
426 I A -0.5803
427 L A 0.0000
428 V A 0.0000
429 S A -0.6936
430 S A -0.5030
431 G A -0.8230
432 S A -0.7534
433 V A 0.0000
434 N A 0.0000
435 N A -1.4905
436 N A -2.4319
437 N A -1.9538
438 A A 0.0000
439 K A -1.6965
440 Q A -1.7838
441 V A 0.0000
442 A A 0.0000
443 S A -0.8092
444 T A -0.5714
445 L A 0.0000
446 S A 0.0000
447 E A -0.9477
448 N A -1.4154
449 L A 0.0000
450 V A 0.0000
451 R A -2.3923
452 E A -1.9119
453 M A 0.0000
454 A A 0.0000
455 N A -1.9529
456 T A 0.0000
457 A A 0.0000
458 R A -2.3762
459 R A -2.5885
460 Y A -1.3678
461 R A -2.5817
462 V A 0.0000
463 N A -2.2329
464 V A 0.0000
465 P A -1.6682
466 E A -2.5088
467 A A -1.2210
468 S A -1.1440
469 V A -1.7198
470 Q A -1.8003
471 A A -0.7803
472 D A 0.0000
473 V A 0.0000
474 S A -0.3188
475 L A -0.0664
476 V A 0.0000
477 T A -0.3131
478 S A -0.0425
479 M A 0.0575
480 T A 0.0000
481 S A -0.5095
482 T A -0.2398
483 V A 0.0000
484 G A -0.5278
485 T A 0.0329
486 T A 0.8020
487 V A 1.5914
488 A A 0.5258
489 S A 0.2827
490 T A 0.0000
491 T A 0.3914
492 S A -0.1213
493 R A -0.4684
494 L A -0.2084
495 S A -0.5319
496 T A -0.8121
497 A A -0.9804
498 E A -2.0808
499 A A 0.0000
500 S A -0.9168
501 S A -0.9795
502 R A 0.0000
503 I A 0.0000
504 S A -0.7404
505 T A -0.2666
506 A A 0.0000
507 A A 0.4586
508 S A -0.1345
509 T A -0.0239
510 L A 0.0000
511 V A 0.8540
512 S A 0.1961
513 G A -0.1582
514 G A 0.1597
515 Y A 1.4063
516 L A 1.5389
517 N A 0.2842
518 T A 0.3118
519 A A 0.0676
520 A A -0.0359
521 L A 0.0000
522 P A -0.1903
523 S A -0.4533
524 V A 0.0000
525 I A 0.0000
526 A A -0.5368
527 D A -1.9701
528 L A 0.0000
529 F A -0.6079
530 A A -0.8777
531 Q A -1.5006
532 V A 0.0000
533 G A -0.9803
534 A A -0.4352
535 S A -0.7458
536 S A -0.4673
537 P A -0.4505
538 G A -0.6643
539 V A -0.3559
540 S A -0.7912
541 D A -1.2528
542 C A 0.0909
543 E A 0.1376
544 V A 0.0000
545 L A 0.5967
546 I A 1.1640
547 Q A 0.0000
548 V A 0.0000
549 L A 1.7159
550 L A 1.8033
551 E A 0.0000
552 I A 1.7740
553 V A 2.7616
554 S A 1.8234
555 S A 0.0000
556 L A 2.2246
557 I A 2.5260
558 H A 0.5614
559 I A 0.0000
560 L A 1.8760
561 S A 0.6855
562 S A 0.2129
563 S A 0.5640
564 S A 0.4431
565 V A 1.2934
566 G A -0.3871
567 Q A -0.7670
568 V A 0.2694
569 D A -0.6476
570 F A 1.1362
571 S A 0.4424
572 S A 0.4557
573 V A 1.3585
574 G A 0.3248
575 S A 0.0651
576 S A 0.5784
577 A A 0.3230
578 A A 0.0281
579 A A 0.0977
580 V A 0.4226
581 G A -0.3240
582 Q A -0.8919
583 S A 0.0000
584 M A 0.2700
585 Q A -0.3407
586 V A 1.1295
587 V A 0.7033
588 M A 0.7568
589 G A -0.0873
590 G A -0.5156
591 G A -0.9029
592 G A -1.1574
593 G A -1.0095
594 S A -0.7441
595 S A -0.3536
596 G A -0.1371
597 Y A 0.7203
598 G A 0.1794
599 G A 0.6115
600 L A 1.9862
601 V A 2.4934
602 G A 1.1839
603 Y A 1.2871
604 G A -0.0203
605 A A -0.0643
606 G A -0.6196
607 A A -0.3663
608 G A -0.5005
609 A A -0.1112
610 A A -0.0936
611 A A -0.1118
612 G A -0.5003
613 A A -0.3668
614 G A -0.6165
615 A A -0.3670
616 G A -0.6070
617 A A -0.4861
618 G A -0.7882
619 G A -0.7839
620 A A -0.6112
621 G A -0.5093
622 G A 0.3109
623 Y A 1.8943
624 I A 2.0428
625 G A 0.1229
626 Q A -1.3104
627 G A -1.1758
628 G A -0.5340
629 Y A 0.7345
630 G A 0.0681
631 A A -0.1284
632 G A -0.6005
633 A A -0.3868
634 G A -0.4890
635 A A -0.1363
636 A A 0.0171
637 A A 0.1401
638 A A 0.0285
639 A A -0.1082
640 G A -0.5060
641 A A -0.4234
642 G A -0.6187
643 A A -0.4009
644 G A -0.5215
645 A A -0.2887
646 T A -0.4680
647 G A -0.4767
648 G A -0.2138
649 Y A 0.3567
650 G A -1.0026
651 R A -2.0100
652 G A -1.5663
653 A A -0.8393
654 G A -0.6221
655 A A -0.4067
656 G A -0.5328
657 A A -0.4803
658 T A -0.7630
659 N A -1.4075
660 A A -1.0002
661 G A -0.6913
662 G A -0.3747
663 Y A 0.6176
664 G A -0.3527
665 G A -1.1303
666 Q A -1.8640
667 G A -1.1012
668 G A -0.4300
669 Y A 0.6883
670 G A 0.0905
671 A A -0.0991
672 G A -0.8328
673 A A -1.0375
674 R A -1.4190
675 A A 0.1251
676 F A 1.4400
677 A A 0.6184
678 G A -0.0627
679 A A -0.3904
680 G A -0.5305
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Laboratory of Theory of Biopolymers 2018