Project name: ph8

Status: done

Started: 2026-05-25 08:07:47
Settings
Chain sequence(s) A: MKWVTFISLLFLFSSAYSRGVFRRDAKSEVARFKDLGEENFKALVLIAFAQYLQQCPFEDVKLVNEVTEFAKTVADESAENDKSLTLFGDKLTVATLRETYGEMADAKQEPERNEFLQDDNPNLPRLVRPEVDVMTAFDNEETFLKKYLYEIARRPYFYAPELLFFAKRYKAAFTEQAADKAALLPKLDELRDEGKASSAKQRLASLQKFGERAFKAWAVARLSQRFPKAEFAEVSKLVTDLTKVTGDLLEADDRADLAKYIENQDSISSKLKEEKPLLEKSIAEVENDEMPADLPSLAADFVESKDVKNYAEAKDVFLGMFLYEYARRPDYSVVLLLRLAKTYETTLEKAAADPEYAKVFDEFKPLVEEPQNLIKQNELFEQLGEYKFQNALLVRYTKKVPQVSTPTLVEVSRNLGKVGSKKPEAKRMPAEDYLSVVLNQLVLEKTPVSDRVTKTESLVNRRPFSALEVDETYVPKEFNAETFTFADITLSEKERQIKKQTALVELVKKPKATKEQLKAVMDDFAAFVEKKADDKETFAEEGKKLVAASQAALGLGGGGSGFLGGGGGSMIEIICNDRLGKKIRIKCNTDDTIGDLKKLIAAQTGTRWNKIILKKWYTIFKDISLGDYEIDGMNLELYYQ
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                                          (00:30:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:30:32)
Show buried residues

Minimal score value
-4.109
Maximal score value
3.1034
Average score
-1.1911
Total score value
-763.4747

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 0.9733
2 K A -0.3033
3 W A 1.1707
4 V A 2.1409
5 T A 1.1090
6 F A 1.4381
7 I A 1.7252
8 S A 1.9957
9 L A 2.5057
10 L A 2.4734
11 F A 2.7113
12 L A 3.1034
13 F A 2.3869
14 S A 1.6435
15 S A 0.9258
16 A A 0.8838
17 Y A 0.9398
18 S A -0.3368
19 R A -1.7258
20 G A -0.9325
21 V A 0.1239
22 F A -1.0245
23 R A -2.9689
24 R A -3.4941
25 D A -3.3426
26 A A -2.3066
28 K A -3.1408
29 S A -2.8256
30 E A -2.3279
31 V A 0.0000
32 A A -2.0544
34 R A -1.9790
35 F A 0.0000
36 K A -2.8469
37 D A -2.8635
38 L A -2.2264
39 G A -2.3992
40 E A -2.9484
41 E A -2.7280
42 N A -2.0183
43 F A 0.0000
44 K A -1.7685
45 A A -1.0502
46 L A 0.0000
47 V A 0.0000
48 L A 0.0000
49 I A 0.0000
50 A A 0.0000
51 F A 0.0000
52 A A 0.0000
53 Q A -0.3620
54 Y A -0.1642
55 L A 0.0000
56 Q A 0.0000
57 Q A -0.8757
58 C A 0.0000
59 P A -1.2755
60 F A -1.7120
61 E A -2.8508
62 D A -2.6800
64 V A -2.2095
65 K A -3.2068
66 L A -2.1366
67 V A 0.0000
68 N A -3.0226
69 E A -3.1740
70 V A 0.0000
71 T A 0.0000
72 E A -2.9018
73 F A -1.6645
74 A A 0.0000
75 K A -2.2527
76 T A -1.6602
78 V A -1.3476
79 A A -1.1232
80 D A -2.5316
81 E A -3.3944
82 S A -2.4715
83 A A -2.1830
84 E A -2.8415
85 N A -2.2943
87 D A -3.5677
88 K A -2.1984
89 S A -1.0860
90 L A -0.9539
92 T A -0.9445
93 L A 0.0000
94 F A -0.3464
95 G A -1.0407
96 D A -1.2070
97 K A -0.9903
98 L A 0.0000
100 T A -0.2860
101 V A -0.3787
102 A A -0.4331
103 T A -1.0607
104 L A -1.6788
105 R A -3.2817
106 E A -2.8738
107 T A -1.6911
108 Y A -1.6691
109 G A -2.4444
110 E A -2.8891
111 M A -1.8043
112 A A -2.2632
113 D A -2.7768
116 A A -1.5516
117 K A -3.0749
118 Q A -2.8028
119 E A -2.7523
120 P A -2.6372
121 E A -3.5963
122 R A -3.2060
123 N A -2.4957
124 E A -3.0187
126 F A -1.0604
127 L A -0.8577
128 Q A -1.4694
131 D A -2.7868
132 D A -2.0740
133 N A -2.3832
134 P A -2.0776
135 N A -2.2446
136 L A -1.2458
137 P A -0.8652
138 R A -1.3104
139 L A 0.6371
140 V A 0.7839
141 R A -0.7822
142 P A -0.9938
143 E A -2.0000
144 V A -1.4893
145 D A -1.7615
146 V A -0.1062
147 M A 0.0000
149 T A -0.5753
150 A A -0.5724
151 F A -0.8767
153 D A -2.4007
154 N A -2.3217
155 E A -2.2324
156 E A -2.6854
157 T A -1.6378
158 F A -1.2870
159 L A -1.2889
160 K A -1.1883
161 K A -1.3097
162 Y A -0.2247
163 L A 0.0000
164 Y A 0.0000
165 E A 0.0000
166 I A -0.0899
167 A A 0.0000
168 R A -0.7425
169 R A -1.3872
171 P A -0.5194
172 Y A -0.1295
173 F A 0.0000
174 Y A -0.0521
175 A A 0.0000
176 P A 0.0000
177 E A -0.4545
178 L A 0.0000
179 L A 0.0000
180 F A -0.6899
181 F A 0.0000
182 A A -0.9293
183 K A -2.0723
184 R A -1.4933
185 Y A -1.0302
186 K A -1.6026
187 A A -1.3794
188 A A 0.0000
189 F A -0.9928
190 T A -1.2305
191 E A -2.3143
194 Q A -2.1741
195 A A -1.8767
196 A A -1.3969
197 D A -2.4918
198 K A -2.6917
199 A A -1.5110
200 A A -0.8473
202 L A -0.9187
203 L A -0.6844
204 P A -1.3987
205 K A -2.0065
206 L A -2.1483
207 D A -3.1954
208 E A -3.8069
209 L A 0.0000
210 R A -3.9473
211 D A -4.1090
212 E A -3.1458
213 G A -2.7405
214 K A -3.2409
215 A A -2.0850
216 S A -1.7362
217 S A -1.2308
218 A A -1.2486
219 K A -1.6084
220 Q A -1.2384
221 R A -0.6841
222 L A -0.5694
225 A A -0.5804
226 S A -0.8099
227 L A -1.2206
228 Q A -1.6206
229 K A -1.4989
230 F A -1.1414
231 G A -1.6859
232 E A -2.6938
233 R A -2.7784
234 A A -1.3470
235 F A -1.0271
236 K A -1.7061
237 A A -1.1859
238 W A -0.6106
239 A A 0.0000
240 V A 0.0000
241 A A 0.0000
242 R A -0.8907
243 L A 0.0000
244 S A 0.0000
245 Q A 0.0000
246 R A -1.7536
247 F A 0.0000
248 P A 0.0000
249 K A -2.6117
250 A A 0.0000
251 E A -2.2595
252 F A -0.9930
253 A A -0.6255
254 E A -0.9450
255 V A 0.0000
256 S A -0.5442
257 K A -0.1978
258 L A 0.0000
259 V A 0.0000
260 T A -0.5896
261 D A 0.0000
262 L A -0.2276
263 T A 0.0000
264 K A -1.6364
265 V A -0.7329
267 T A -1.0078
272 G A -1.3290
273 D A -2.1308
274 L A -1.0711
275 L A 0.0000
276 E A -2.0286
278 A A -0.9919
279 D A -1.2656
280 D A -1.2174
281 R A 0.0000
282 A A -1.0767
283 D A -1.3931
284 L A 0.0000
285 A A 0.0000
286 K A -2.4343
287 Y A -1.5814
288 I A 0.0000
290 E A -2.7776
291 N A -2.1888
292 Q A -2.7065
293 D A -3.0092
294 S A -2.2167
295 I A 0.0000
296 S A 0.0000
297 S A -2.1829
298 K A -2.6012
299 L A -2.4335
300 K A -3.5889
301 E A -3.5248
304 E A -3.3901
305 K A -2.7699
306 P A -1.1643
307 L A -0.4312
308 L A -0.5253
309 E A -1.7016
310 K A -1.7104
311 S A -0.8671
314 I A -1.0781
315 A A -1.0158
316 E A -2.0984
317 V A -1.8896
318 E A -2.7514
319 N A -2.2777
320 D A 0.0000
321 E A -2.4829
322 M A -1.3149
323 P A -1.1595
324 A A -1.1004
325 D A -1.6680
326 L A -0.7442
327 P A -0.8624
328 S A -0.6803
329 L A -0.6525
330 A A -0.9221
331 A A -1.6803
332 D A -2.6161
333 F A 0.0000
334 V A -1.9210
335 E A -2.8970
336 S A -2.7012
337 K A -3.5074
338 D A -3.2942
339 V A 0.0000
341 K A -3.1123
342 N A -2.3532
343 Y A 0.0000
344 A A -2.2447
345 E A -2.5274
346 A A -1.7683
347 K A -2.5688
348 D A -2.4234
349 V A -0.9982
350 F A 0.0000
351 L A -0.9335
352 G A -0.5431
353 M A -0.1315
354 F A 0.0000
355 L A 0.0000
356 Y A 0.0000
357 E A -0.3955
358 Y A -0.0373
359 A A 0.0000
360 R A 0.0000
361 R A -0.6405
363 P A -1.2664
364 D A -2.0006
365 Y A -0.7525
366 S A 0.0000
367 V A 0.0000
368 V A 0.0000
369 L A 0.0000
370 L A 0.0000
371 L A 0.0000
372 R A 0.0000
373 L A 0.0000
374 A A -0.8114
375 K A -1.5982
376 T A -1.2564
377 Y A 0.0000
378 E A -2.1730
379 T A -1.6696
380 T A -1.7497
381 L A -1.5597
382 E A -2.4400
383 K A -2.3991
386 A A -0.9994
387 A A -1.2560
388 A A -1.0512
389 D A -2.3680
390 P A -2.2797
392 E A -2.9532
394 Y A -1.3564
395 A A -1.7639
396 K A -2.6549
397 V A 0.0000
398 F A -1.7282
399 D A -3.4335
400 E A -3.3085
401 F A 0.0000
402 K A -3.1037
403 P A -2.3952
404 L A -1.5479
405 V A -1.8234
406 E A -3.0259
407 E A -2.4386
408 P A 0.0000
409 Q A -2.7088
410 N A -2.9019
411 L A -1.7879
412 I A 0.0000
413 K A -3.0352
414 Q A -2.6385
415 N A -1.9890
417 E A -3.2322
418 L A -2.1634
419 F A -2.2562
420 E A -3.1231
421 Q A -2.5541
422 L A -1.6482
423 G A -1.5730
424 E A -1.7223
425 Y A -1.0964
426 K A -1.8741
427 F A 0.0000
428 Q A 0.0000
429 N A -1.1613
430 A A -0.9911
431 L A 0.0000
432 L A 0.0000
433 V A 0.0000
434 R A -0.9153
435 Y A -0.4225
436 T A 0.0000
437 K A -1.1467
438 K A -0.8821
439 V A 0.0000
440 P A 0.0000
441 Q A -0.2827
442 V A 0.0000
443 S A -0.3589
444 T A 0.0000
445 P A -0.6898
446 T A -0.8186
447 L A 0.0000
448 V A 0.0000
449 E A -1.9517
450 V A 0.0000
451 S A 0.0000
452 R A -1.1226
453 N A -1.0703
454 L A 0.0000
455 G A 0.0000
456 K A -1.4187
457 V A -1.2157
458 G A -1.8467
459 S A -1.9141
460 K A -2.3522
463 K A -2.9374
465 P A -2.2224
466 E A -3.3538
467 A A -2.3779
468 K A -3.2303
469 R A -3.1460
470 M A 0.0000
471 P A -1.3054
473 A A -0.8533
474 E A 0.0000
475 D A -0.6427
476 Y A -0.4293
477 L A -0.0813
478 S A 0.0000
479 V A 0.0000
480 V A 0.0000
481 L A 0.0000
482 N A 0.0000
483 Q A -0.8014
484 L A 0.0000
486 V A -0.9044
487 L A -0.9278
489 E A -2.2769
490 K A -2.3161
491 T A -0.9212
492 P A -0.8593
493 V A -0.0194
494 S A 0.0000
495 D A -2.2356
496 R A -1.6002
497 V A -1.1469
498 T A -2.0593
499 K A -2.8423
502 T A -1.9307
503 E A -2.5540
504 S A -1.6626
505 L A 0.0000
506 V A 0.0000
507 N A -1.4798
508 R A -1.2515
509 R A 0.0000
510 P A -0.4977
512 F A -0.3616
513 S A -0.2658
514 A A -0.2740
515 L A -0.4955
516 E A -1.7509
517 V A -1.0714
518 D A -1.0664
519 E A -1.9169
520 T A -0.4092
521 Y A 0.0819
522 V A 0.7013
523 P A -0.7669
524 K A -2.3663
525 E A -2.2863
526 F A -1.0706
527 N A -1.6300
528 A A -1.2869
529 E A -1.8086
530 T A -0.8303
531 F A -0.4060
532 T A -0.6457
533 F A -0.5272
535 A A -1.7623
536 D A -2.0623
537 I A 0.0000
539 T A -0.8125
540 L A -1.2352
541 S A -1.5558
542 E A -2.9035
543 K A -2.8597
544 E A -1.8953
545 R A -2.0750
546 Q A -1.5844
547 I A -1.0131
548 K A -1.2343
549 K A -0.7637
550 Q A 0.0000
551 T A -0.5176
552 A A 0.0000
553 L A 0.0000
554 V A 0.0000
555 E A -0.6842
556 L A -0.1906
557 V A 0.0000
558 K A 0.0000
560 K A -1.5335
561 P A 0.0000
562 K A -2.2959
563 A A 0.0000
564 T A -2.1537
565 K A -2.9928
566 E A -3.2348
567 Q A -2.5893
568 L A 0.0000
569 K A -3.5254
570 A A -2.6121
571 V A 0.0000
572 M A -2.1334
573 D A -3.0444
574 D A -2.9336
575 F A 0.0000
576 A A -1.8098
577 A A -2.0750
578 F A 0.0000
579 V A -1.8867
580 E A -3.1328
581 K A -3.2673
584 K A -3.4901
585 A A -3.4178
586 D A -3.5133
587 D A -3.8240
588 K A -3.8141
589 E A -3.3633
590 T A -2.5217
592 F A -2.2540
593 A A -2.2148
594 E A -3.4409
595 E A -3.1730
596 G A -2.1352
597 K A -3.1612
598 K A -3.1437
599 L A -1.8990
600 V A -0.8913
601 A A -0.8115
602 A A -0.6523
603 S A -0.5294
604 Q A -0.0378
605 A A 0.1011
606 A A -0.0334
607 L A 0.0000
608 G A -0.2118
609 L A 0.6556
610 G A -0.3739
611 G A -0.7754
612 G A -0.9282
613 G A -0.8574
614 S A -0.2034
615 G A 0.4680
616 F A 2.1912
617 L A 2.0115
618 G A 0.4046
619 G A -0.5003
620 G A -0.9004
621 G A -1.2451
622 G A -1.1605
623 S A -0.7161
624 M A -0.4466
625 I A 0.0000
626 E A -2.3148
627 I A 0.0000
628 I A -1.5834
629 C A 0.0000
630 N A 0.0000
631 D A 0.0000
632 R A -1.1467
633 L A 0.2281
634 G A -1.0310
635 K A -1.8971
636 K A -2.6839
637 I A 0.0000
638 R A -2.7917
639 I A 0.0000
640 K A -2.2871
641 C A 0.0000
642 N A -1.5785
643 T A -2.1671
644 D A -2.3983
645 D A -1.5702
646 T A -1.4163
647 I A 0.0000
648 G A 0.0000
649 D A -1.2009
650 L A 0.0000
651 K A 0.0000
652 K A -1.7931
653 L A -0.7805
654 I A 0.0000
655 A A -1.6243
656 A A -1.0128
657 Q A -1.5566
658 T A -1.1980
659 G A -1.3378
660 T A -1.8164
661 R A -2.8156
662 W A -2.0282
663 N A -2.5853
664 K A -2.2761
665 I A 0.0000
666 I A -0.0256
667 L A 0.0000
668 K A 0.8092
669 K A 0.7135
670 W A 1.8296
671 Y A 1.9933
672 T A 1.3084
673 I A 1.8161
674 F A 0.0000
675 K A -1.3543
676 D A -1.4986
678 I A -0.4978
679 S A -1.6033
680 L A 0.0000
681 G A -2.5791
682 D A -2.4469
683 Y A -1.5502
684 E A -2.7047
685 I A 0.0000
687 D A -2.4814
688 G A -1.6878
689 M A -1.2845
690 N A -1.2285
691 L A 0.0000
692 E A 0.0000
693 L A 0.0000
694 Y A 0.4044
695 Y A -0.2789
696 Q A -1.4809
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Laboratory of Theory of Biopolymers 2018