Project name: 6cb4f4932f9cd6a

Status: done

Started: 2025-02-21 07:02:10
Chain sequence(s) A: MDSKSVTPEPTNPFYASSGQSGKTYASVVAAAAAAAADKEDGGAVSSAKELDSSSEAVSGNSDKVGADDLSDSEKEKPNLVGDGKVSDEVDGSLKEDSTTPEATPKPEVVSGETIGVDDVSSLSPKPEAVSDGVGVVEENKKVKEDVEDIKDDGESKIENGSVDVDVKQASTDGESESKVKDVEEEDVGTKKDDEGESELGGKVDVDDKSDNVIEEEGVELTDKGDVIVNSSPVESVHVDVAKPGVVVVGDAEGSEELKINADAETLEVANKFDQIGDDDSGEFEPVSDKAIEEVEEKFTSESDSIADSSKLESVDTSAVEPEVVAAESGSEPKDVEKANGLEKGMTYAEVIKAASAVADNGTKEEESVLGGIVDDAEEGVKLNNKGDFVVDSSAIEAVNVDVAKPGVVVVGDVEVSEVLETDGNIPDVHNKFDPIGQGEGGEVELESDKATEEGGGKLVSEGDSMVDSSVVDSVDADINVAEPGVVVVGAAKEAVIKEDDKDDEVDKTISNIEEPDDLTAAYDGNFELAVKEISEAAKVEPDEPKVGVEVEELPVSESLKVGSVDAEEDSIPAAESQFEVRKVVEGDSAEEDENKLPVEDIVSSREFSFGGKEVDQEPSGEGVTRVDGSESEEETEEMIFGSSEAAKQFLAELEKASSGIEAHSDEANISNNMSDRIDGQIVTDSDEDVDTEDEGEEKMFDTAALAALLKAATGGGSSEGGNFTITSQDGTKLFSMDRPAGLSSSLRPLKPAAAPRANRSNIFSNSNVTMADETEINLSEEEKQKLEKLQSLRVKFLRLLQRLGHSAEDSIAAQVLYRLALLAGRQAGQLFSLDAAKKKAVESEAEGNEELIFSLNILVLGKAGVGKSATINSILGNQIASIDAFGLSTTSVREISGTVNGVKITFIDTPGLKSAAMDQSTNAKMLSSVKKVMKKCPPDIVLYVDRLDTQTRDLNNLPLLRTITASLGTSIWKNAIVTLTHAASAPPDGPSGTPLSYDVFVAQCSHIVQQSIGQAVGDLRLMNPSLMNPVSLVENHPLCRKNREGVKVLPNGQTWRSQLLLLCYSLKVLSETNSLLRPQEPLDHRKVFGFRVRSPPLPYLLSWLLQSRAHPKLPGDQGGDSVDSDIEIDDVSDSEQEDGEDDEYDQLPPFKPLRKTQLAKLSNEQRKAYFEEYDYRVKLLQKKQWREELKRMKEMKKNGKKLGESEFGYPGEEDDPENGAPAAVPVPLPDMVLPPSFDSDNSAYRYRYLEPTSQLLTRPVLDTHGWDHDCGYDGVNAEHSLALASRFPATATVQVTKDKKEFNIHLDSSVSAKHGENGSTMAGFDIQNVGKQLAYVVRGETKFKNLRKNKTTVGGSVTFLGENIATGVKLEDQIALGKRLVLVGSTGTMRSQGDSAYGANLEVRLREADFPIGQDQSSFGLSLVKWRGDLALGANLQSQVSVGRNSKIALRAGLNNKMSGQITVRTSSSDQLQIALTAILPIAMSIYKSIRPEATNDKYSMY
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage No
pH calculations No
alphaCutter usage No
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:26)
Show buried residues

Minimal score value
-4.7888
Maximal score value
3.8705
Average score
-0.7892
Total score value
-1186.1202

The table below lists A4D score for protein residues. Residues with A4D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan4D score mutation
1 M A -0.1854
2 D A -1.6868
3 S A -1.6283
4 K A -1.7679
5 S A -0.1678
6 V A 0.9099
7 T A 0.0802
8 P A -0.8169
9 E A -2.0710
10 P A -1.6614
11 T A -1.1676
12 N A -1.0562
13 P A 0.3586
14 F A 2.1755
15 Y A 2.0607
16 A A 0.9161
17 S A -0.2778
18 S A -0.7159
19 G A -1.3220
20 Q A -1.9798
21 S A -1.6937
22 G A -1.6524
23 K A -1.7876
24 T A 0.1606
25 Y A 1.7959
26 A A 1.4147
27 S A 1.2230
28 V A 2.5342
29 V A 2.8452
30 A A 1.5921
31 A A 1.3389
32 A A 1.2104
33 A A 0.6512
34 A A -0.0376
35 A A -0.5879
36 A A -1.1133
37 A A -1.8027
38 D A -3.2917
39 K A -3.9518
40 E A -4.1000
41 D A -3.7853
42 G A -1.9241
43 G A -0.8986
44 A A 0.6180
45 V A 1.4759
46 S A 0.6977
47 S A -0.2137
48 A A -1.0833
49 K A -2.2738
50 E A -2.2279
51 L A -0.8460
52 D A -1.4758
53 S A -0.8868
54 S A -1.0631
55 S A -1.2609
56 E A -1.5598
57 A A -0.2920
58 V A 1.1844
59 S A 0.1477
60 G A -0.7543
61 N A -1.9983
62 S A -2.1962
63 D A -2.6604
64 K A -1.8908
65 V A 0.1613
66 G A -0.4078
67 A A -1.1676
68 D A -2.3405
69 D A -2.1000
70 L A -0.1272
71 S A -0.6358
72 D A -2.0302
73 S A -2.3895
74 E A -3.4775
75 K A -3.8857
76 E A -4.0730
77 K A -3.2563
78 P A -1.6910
79 N A -1.0962
80 L A 1.1944
81 V A 1.5135
82 G A -0.3048
83 D A -2.1187
84 G A -1.9175
85 K A -1.5986
86 V A 0.3350
87 S A -0.8603
88 D A -2.1371
89 E A -2.3423
90 V A -0.4058
91 D A -1.6176
92 G A -0.9345
93 S A -0.4752
94 L A 0.0140
95 K A -2.0996
96 E A -3.2329
97 D A -3.1445
98 S A -1.6721
99 T A -0.7224
100 T A -0.9243
101 P A -1.3015
102 E A -1.9643
103 A A -1.1421
104 T A -1.0666
105 P A -1.2552
106 K A -2.3392
107 P A -1.7027
108 E A -0.8854
109 V A 1.5922
110 V A 2.0836
111 S A 0.3426
112 G A -0.9206
113 E A -1.7191
114 T A -0.1172
115 I A 1.7521
116 G A 0.9403
117 V A 0.6086
118 D A -1.4521
119 D A -1.4198
120 V A 0.3753
121 S A 0.5038
122 S A 0.7589
123 L A 1.2444
124 S A 0.0241
125 P A -1.2228
126 K A -2.4542
127 P A -2.0514
128 E A -1.9604
129 A A -0.2327
130 V A 0.9062
131 S A -0.2232
132 D A -1.4146
133 G A -0.5159
134 V A 1.3717
135 G A 1.4704
136 V A 2.5328
137 V A 1.6171
138 E A -1.7547
139 E A -3.5397
140 N A -3.7820
141 K A -3.6407
142 K A -2.8937
143 V A -1.1414
144 K A -2.8276
145 E A -3.2638
146 D A -2.4663
147 V A -0.8785
148 E A -1.8465
149 D A -1.7813
150 I A -0.4526
151 K A -2.2878
152 D A -3.1869
153 D A -3.6824
154 G A -2.8105
155 E A -2.9426
156 S A -1.8291
157 K A -1.6946
158 I A -0.0819
159 E A -1.7881
160 N A -1.7796
161 G A -1.3034
162 S A -0.2534
163 V A 0.7671
164 D A -0.4021
165 V A 0.7583
166 D A -0.6887
167 V A 0.1615
168 K A -1.7861
169 Q A -1.7258
170 A A -0.9930
171 S A -0.8456
172 T A -1.2451
173 D A -2.5059
174 G A -2.3857
175 E A -2.8574
176 S A -2.0668
177 E A -2.7479
178 S A -1.7443
179 K A -1.7031
180 V A -0.2219
181 K A -1.8170
182 D A -1.8878
183 V A -0.6766
184 E A -2.5135
185 E A -3.6154
186 E A -3.6115
187 D A -2.1268
188 V A 0.1917
189 G A -0.3665
190 T A -1.2301
191 K A -2.9963
192 K A -3.9129
193 D A -4.3560
194 D A -4.0910
195 E A -3.6583
196 G A -2.8254
197 E A -2.9079
198 S A -1.8767
199 E A -1.6441
200 L A 0.1886
201 G A -0.6755
202 G A -1.0116
203 K A -1.5875
204 V A 0.2528
205 D A -0.7405
206 V A -0.0179
207 D A -2.6354
208 D A -3.2673
209 K A -3.4240
210 S A -2.6968
211 D A -2.5511
212 N A -0.9010
213 V A 1.4194
214 I A 1.4076
215 E A -1.9485
216 E A -3.3808
217 E A -2.9355
218 G A -1.6047
219 V A 0.6024
220 E A -0.3174
221 L A 0.6538
222 T A -0.9313
223 D A -2.4168
224 K A -3.1811
225 G A -2.1555
226 D A -1.1557
227 V A 2.1630
228 I A 3.1192
229 V A 2.4518
230 N A 0.0118
231 S A -0.3923
232 S A -0.2371
233 P A -0.1551
234 V A 0.5280
235 E A -0.6086
236 S A 0.2191
237 V A 1.1788
238 H A 0.4070
239 V A 1.0453
240 D A -0.2694
241 V A 0.9483
242 A A -0.3292
243 K A -1.5896
244 P A -1.1083
245 G A 0.2608
246 V A 2.8054
247 V A 3.7976
248 V A 3.6992
249 V A 2.2800
250 G A 0.1410
251 D A -1.9927
252 A A -2.0400
253 E A -2.4446
254 G A -2.0845
255 S A -2.1973
256 E A -2.8634
257 E A -2.5716
258 L A -0.2448
259 K A -0.8094
260 I A 0.8595
261 N A -0.9065
262 A A -1.0248
263 D A -2.3564
264 A A -1.7796
265 E A -1.8519
266 T A -0.6170
267 L A 0.6015
268 E A -0.3125
269 V A 0.9082
270 A A -0.3886
271 N A -1.7118
272 K A -1.7347
273 F A -0.4888
274 D A -1.4369
275 Q A -0.8051
276 I A 0.3865
277 G A -1.0365
278 D A -2.8659
279 D A -3.7081
280 D A -3.2225
281 S A -2.1161
282 G A -1.4471
283 E A -1.3997
284 F A -0.1048
285 E A -1.0721
286 P A 0.1284
287 V A 0.8197
288 S A -0.8091
289 D A -2.3314
290 K A -2.1464
291 A A -0.3816
292 I A 0.4692
293 E A -1.4056
294 E A -1.8293
295 V A -0.7378
296 E A -2.4542
297 E A -2.8181
298 K A -2.0057
299 F A 0.2322
300 T A -0.2945
301 S A -1.2882
302 E A -2.3023
303 S A -2.0439
304 D A -1.9511
305 S A -0.2542
306 I A 1.0889
307 A A -0.1776
308 D A -1.6934
309 S A -1.4991
310 S A -1.2628
311 K A -1.6712
312 L A -0.2680
313 E A -1.1978
314 S A -0.5508
315 V A 0.3239
316 D A -0.9474
317 T A -0.5404
318 S A -0.2578
319 A A 0.2084
320 V A 0.8122
321 E A -1.5032
322 P A -1.2945
323 E A -1.1504
324 V A 1.7290
325 V A 2.1252
326 A A 0.9744
327 A A -0.6665
328 E A -1.8283
329 S A -1.3816
330 G A -1.5455
331 S A -1.7564
332 E A -2.4849
333 P A -2.3121
334 K A -2.7128
335 D A -2.1845
336 V A -0.6077
337 E A -2.1324
338 K A -2.5260
339 A A -1.9464
340 N A -1.6896
341 G A -1.1935
342 L A -0.2204
343 E A -2.1574
344 K A -2.3107
345 G A -1.1266
346 M A 0.4059
347 T A 0.9832
348 Y A 1.1308
349 A A 0.4873
350 E A -0.2645
351 V A 1.5629
352 I A 1.7423
353 K A -0.3281
354 A A -0.3406
355 A A -0.3828
356 S A 0.2677
357 A A 0.7619
358 V A 1.3599
359 A A -0.2202
360 D A -2.0315
361 N A -2.3484
362 G A -1.8297
363 T A -2.2503
364 K A -3.2803
365 E A -3.9549
366 E A -4.0191
367 E A -2.7816
368 S A -0.3267
369 V A 1.9259
370 L A 2.0425
371 G A 1.0600
372 G A 0.8581
373 I A 2.0374
374 V A 1.3690
375 D A -1.4988
376 D A -2.6409
377 A A -2.6380
378 E A -3.3487
379 E A -2.8416
380 G A -1.5290
381 V A 0.4740
382 K A -0.4844
383 L A -0.0059
384 N A -1.9626
385 N A -2.4793
386 K A -2.7971
387 G A -1.9126
388 D A -0.6797
389 F A 1.8848
390 V A 2.5104
391 V A 2.0073
392 D A -0.3778
393 S A -0.3333
394 S A -0.3384
395 A A 0.2604
396 I A 1.0943
397 E A -0.5991
398 A A 0.3355
399 V A 1.0133
400 N A -0.0452
401 V A 1.1473
402 D A -0.3974
403 V A 0.7980
404 A A -0.3297
405 K A -1.6925
406 P A -0.6875
407 G A 0.2343
408 V A 2.7293
409 V A 3.7284
410 V A 3.7197
411 V A 2.2512
412 G A 0.0873
413 D A -1.2189
414 V A 0.2349
415 E A -0.7245
416 V A 0.7292
417 S A -0.1092
418 E A -0.7101
419 V A 1.1271
420 L A 0.7701
421 E A -1.1323
422 T A -1.6958
423 D A -2.5697
424 G A -1.5249
425 N A -0.9720
426 I A 0.9274
427 P A -0.0463
428 D A -0.7890
429 V A 0.3202
430 H A -1.5003
431 N A -1.8015
432 K A -1.7837
433 F A 0.0330
434 D A -0.8351
435 P A 0.1225
436 I A 1.0210
437 G A -0.5860
438 Q A -1.6977
439 G A -2.1669
440 E A -2.7626
441 G A -2.3692
442 G A -1.6298
443 E A -1.6897
444 V A 0.2241
445 E A -1.0507
446 L A 0.0216
447 E A -1.8790
448 S A -2.0598
449 D A -3.1305
450 K A -2.6399
451 A A -1.5316
452 T A -1.5952
453 E A -2.8208
454 E A -3.0592
455 G A -2.1394
456 G A -1.6522
457 G A -1.4187
458 K A -0.9780
459 L A 1.5741
460 V A 1.8116
461 S A -0.3384
462 E A -2.2473
463 G A -2.5410
464 D A -2.1950
465 S A -0.3036
466 M A 1.0719
467 V A 1.0037
468 D A -0.7596
469 S A -0.5020
470 S A 0.6413
471 V A 2.1771
472 V A 1.7579
473 D A -0.2697
474 S A -0.2677
475 V A 0.4699
476 D A -1.2974
477 A A -0.9400
478 D A -1.3211
479 I A 0.8216
480 N A 0.2219
481 V A 1.2027
482 A A -0.3260
483 E A -1.5229
484 P A -0.9137
485 G A 0.0625
486 V A 2.5546
487 V A 3.7091
488 V A 3.7724
489 V A 2.7953
490 G A 1.0298
491 A A -0.2624
492 A A -1.1918
493 K A -2.5840
494 E A -2.2358
495 A A 0.1261
496 V A 2.0080
497 I A 1.6687
498 K A -1.6531
499 E A -3.5713
500 D A -4.3321
501 D A -4.3253
502 K A -4.2899
503 D A -4.3220
504 D A -3.5943
505 E A -2.9214
506 V A -0.8727
507 D A -1.9070
508 K A -1.9566
509 T A -0.3383
510 I A 1.1241
511 S A 0.5097
512 N A -0.2138
513 I A 0.1509
514 E A -1.9547
515 E A -2.7779
516 P A -2.8427
517 D A -2.8690
518 D A -1.9203
519 L A 0.1187
520 T A 0.3357
521 A A 0.4524
522 A A 0.2487
523 Y A 0.3794
524 D A -1.4653
525 G A -1.5168
526 N A -1.2448
527 F A 0.5565
528 E A -0.3018
529 L A 1.3356
530 A A 0.9855
531 V A 1.0170
532 K A -1.0753
533 E A -1.5403
534 I A 0.4469
535 S A -0.5301
536 E A -1.8021
537 A A -0.9959
538 A A -0.8031
539 K A -1.3428
540 V A -0.0653
541 E A -1.9032
542 P A -2.3387
543 D A -3.2227
544 E A -3.0833
545 P A -2.1346
546 K A -1.3022
547 V A 0.5986
548 G A 0.4839
549 V A 1.2555
550 E A -0.6337
551 V A 0.1696
552 E A -1.9414
553 E A -1.4481
554 L A 0.7742
555 P A 0.3694
556 V A 1.2715
557 S A -0.0091
558 E A -1.4143
559 S A -0.6234
560 L A 0.4581
561 K A -0.4240
562 V A 0.9974
563 G A 0.3927
564 S A 0.4470
565 V A 0.4486
566 D A -1.4576
567 A A -2.1208
568 E A -3.3473
569 E A -3.9251
570 D A -2.8642
571 S A -0.5187
572 I A 1.4397
573 P A 0.8450
574 A A 0.0265
575 A A -1.0028
576 E A -2.1282
577 S A -1.3177
578 Q A -1.1574
579 F A 0.6962
580 E A -0.5045
581 V A -0.0520
582 R A -1.8148
583 K A -1.0432
584 V A 1.2086
585 V A 1.4209
586 E A -1.1975
587 G A -1.8331
588 D A -2.4724
589 S A -1.5183
590 A A -1.7682
591 E A -3.0469
592 E A -4.1519
593 D A -4.5803
594 E A -4.0744
595 N A -3.4113
596 K A -2.4344
597 L A 0.4673
598 P A 0.6995
599 V A 0.6905
600 E A -1.5901
601 D A -1.0611
602 I A 1.6569
603 V A 2.2871
604 S A 0.5224
605 S A -1.1515
606 R A -2.4996
607 E A -1.6426
608 F A 1.0047
609 S A 0.9280
610 F A 1.6599
611 G A 0.0590
612 G A -1.5624
613 K A -2.3176
614 E A -2.4281
615 V A -0.6246
616 D A -2.4247
617 Q A -2.8676
618 E A -2.9893
619 P A -1.6893
620 S A -1.3592
621 G A -1.6034
622 E A -1.9678
623 G A -0.7791
624 V A 0.7396
625 T A 0.1992
626 R A -1.0460
627 V A -0.0739
628 D A -1.6222
629 G A -1.5024
630 S A -1.8007
631 E A -2.5110
632 S A -2.4470
633 E A -3.7104
634 E A -3.7610
635 E A -3.5395
636 T A -2.6104
637 E A -2.9165
638 E A -1.4999
639 M A 1.0761
640 I A 2.8866
641 F A 2.6825
642 G A 0.7313
643 S A -0.5384
644 S A -1.5153
645 E A -2.6149
646 A A -1.2097
647 A A -0.7365
648 K A -2.0179
649 Q A -1.2737
650 F A 0.9165
651 L A 0.8513
652 A A -0.8499
653 E A -1.5852
654 L A 0.0681
655 E A -1.8770
656 K A -2.6014
657 A A -1.2376
658 S A -1.0037
659 S A -1.0110
660 G A -0.3093
661 I A 0.7314
662 E A -1.1802
663 A A -1.2363
664 H A -1.8700
665 S A -2.0506
666 D A -3.3052
667 E A -3.2436
668 A A -1.4783
669 N A -0.7991
670 I A 0.9543
671 S A -0.5226
672 N A -1.3533
673 N A -1.4289
674 M A -0.3155
675 S A -1.2036
676 D A -2.2031
677 R A -2.1169
678 I A -0.2221
679 D A -1.7174
680 G A -1.0817
681 Q A -0.5094
682 I A 2.1701
683 V A 2.0850
684 T A 0.1839
685 D A -1.9246
686 S A -2.3722
687 D A -3.4936
688 E A -3.2633
689 D A -2.4560
690 V A -0.3732
691 D A -1.9036
692 T A -1.9602
693 E A -3.6450
694 D A -3.9694
695 E A -3.6927
696 G A -2.9871
697 E A -3.6270
698 E A -3.1029
699 K A -2.1736
700 M A -0.0744
701 F A 1.0631
702 D A -0.5400
703 T A 0.5434
704 A A 0.4417
705 A A 0.6902
706 L A 1.5856
707 A A 0.8089
708 A A 0.8136
709 L A 2.0922
710 L A 1.7188
711 K A -0.4161
712 A A 0.2395
713 A A 0.3554
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1500 Y A 0.1541
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