Project name: d49f78ea63ace6b

Status: done

Started: 2025-02-21 06:45:47
Chain sequence(s) A: MSGSVSGCGSGGCSIVWFRRDLRVEDNPALAAAVRAGPVIALFVWAPEEEGHYHPGRVSRWWLKNSLAQLDSSLRSLGTCLITKRSTDSVASLLDVVKSTGASQIFFNHLYDPLSLVRDHRAKDVLTAQGIAVRSFNADLLYEPWEVTDELGRPFSMFAAFWERCLSMPYDPESPLLPPKKIISGDVSKCVADPLVFEDDSEKGSNALLARAWSPGWSNGDKALTTFINGPLLEYSKNRRKADSATTSFLSPHLHFGEVSVRKVFHLVRIKQVAWANEGNEAGEESVNLFLKSIGLREYSRYISFNHPYSHERPLLGHLKFFPWAVDENYFKAWRQGRTGYPLVDAGMRELWATGWLHDRIRVVVSSFFVKVLQLPWRWGMKYFWDTLLDADLESDALGWQYITGTLPDSREFDRIDNPQFEGYKFDPNGEYVRRWLPELSRLPTDWIHHPWNAPESVLQAAGIELGSNYPLPIVGLDEAKARLHEALSQMWQLEAASRAAIENGSEEGLGDSAEVEEAPIEFPRDITMEETEPTRLNPNRRYEDQMVPSITSSLIRPEEDEESSLNLRNSVGDSRAEVPRNMVNTNQAQQRRAEPASNQVTAMIPEFNIRIVAESTEDSTAESSSSGRRERSGGIVPEWSPGYSEQFPSEENGIGGGSTTSSYLQNHHEILNWRRLSQTG
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                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)
Show buried residues

Minimal score value
-4.5737
Maximal score value
2.3855
Average score
-0.7123
Total score value
-485.0835

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 0.8129
2 S A 0.2202
3 G A 0.0137
4 S A 0.3637
5 V A 1.3861
6 S A 0.4525
7 G A 0.0853
8 C A 0.3148
9 G A -0.5402
10 S A -0.5789
11 G A -0.9101
12 G A -0.6663
13 C A -0.4061
14 S A 0.0000
15 I A 0.0000
16 V A 0.0000
17 W A 0.0000
18 F A 0.0000
19 R A 0.0000
20 R A -0.3094
21 D A 0.0000
22 L A 0.0000
23 R A 0.0000
24 V A 0.0000
25 E A 0.2625
26 D A 0.0000
27 N A 0.0000
28 P A 0.0000
29 A A 0.0000
30 L A 0.0000
31 A A -0.0293
32 A A -0.6861
33 A A 0.0000
34 V A -0.5438
35 R A -1.7057
36 A A -0.9474
37 G A -0.3921
38 P A 0.0958
39 V A 0.0000
40 I A 0.0000
41 A A 0.0000
42 L A 0.0000
43 F A 0.0000
44 V A 0.0000
45 W A 0.0000
46 A A 0.0000
47 P A -1.3391
48 E A -1.8772
49 E A -1.5108
50 E A -1.3951
51 G A -1.5985
52 H A -1.6112
53 Y A 0.0000
54 H A -1.4718
55 P A -0.7139
56 G A 0.0000
57 R A -0.8603
58 V A 0.0000
59 S A 0.0000
60 R A -0.6391
61 W A 0.0000
62 W A 0.0000
63 L A 0.0000
64 K A -0.9438
65 N A -0.9936
66 S A 0.0000
67 L A 0.0000
68 A A -0.5946
69 Q A -0.8099
70 L A 0.0000
71 D A -0.9403
72 S A -1.0741
73 S A -0.9016
74 L A 0.0000
75 R A -2.3079
76 S A -1.6032
77 L A -1.4106
78 G A -1.0154
79 T A 0.0000
80 C A -0.6489
81 L A 0.0000
82 I A 0.0000
83 T A -0.2396
84 K A -0.6307
85 R A -1.0183
86 S A -0.9563
87 T A -0.8903
88 D A -0.8203
89 S A 0.0000
90 V A 0.0000
91 A A -0.4180
92 S A -1.0421
93 L A 0.0000
94 L A -1.1774
95 D A -2.3466
96 V A 0.0000
97 V A 0.0000
98 K A -2.6385
99 S A -1.9511
100 T A -1.8170
101 G A -1.5367
102 A A 0.0000
103 S A -0.7075
104 Q A -0.6076
105 I A 0.0000
106 F A 0.0000
107 F A 0.0000
108 N A 0.0000
109 H A -0.3139
110 L A 0.0000
111 Y A 0.0000
112 D A 0.0000
113 P A 0.9105
114 L A 0.8547
115 S A 0.0000
116 L A 0.7609
117 V A 1.2842
118 R A -0.3964
119 D A 0.0000
120 H A -1.8549
121 R A -2.0676
122 A A 0.0000
123 K A -3.2462
124 D A -3.0216
125 V A -1.4669
126 L A 0.0000
127 T A -1.4545
128 A A -1.1808
129 Q A -1.5897
130 G A -0.8910
131 I A -0.9033
132 A A -0.7988
133 V A -1.3999
134 R A -1.9394
135 S A -0.9860
136 F A -0.1404
137 N A -0.2418
138 A A 0.0000
139 D A 0.0000
140 L A 0.0000
141 L A 0.0000
142 Y A 0.0000
143 E A 0.0000
144 P A 0.0000
145 W A -0.0323
146 E A -0.5314
147 V A 0.0000
148 T A -1.2403
149 D A -1.6557
150 E A -1.8158
151 L A -0.2555
152 G A -1.3123
153 R A -2.1954
154 P A -1.1970
155 F A -0.3902
156 S A -0.1029
157 M A 0.6352
158 F A 0.1593
159 A A -0.3257
160 A A -0.4942
161 F A 0.0000
162 W A 0.0000
163 E A -1.7457
164 R A -1.3364
165 C A 0.0000
166 L A 0.3657
167 S A -0.2754
168 M A -0.2721
169 P A -0.0423
170 Y A -0.0667
171 D A -1.6989
172 P A -1.5049
173 E A -2.2696
174 S A -1.1799
175 P A -0.1002
176 L A 0.9713
177 L A 1.4610
178 P A 0.0389
179 P A -1.1247
180 K A -2.2884
181 K A -2.2341
182 I A 0.0000
183 I A 1.3808
184 S A 0.1393
185 G A -0.4548
186 D A -1.8634
187 V A -0.7462
188 S A -1.0110
189 K A -1.7410
190 C A 0.0000
191 V A 1.2048
192 A A 0.2993
193 D A -0.2016
194 P A 0.0525
195 L A 0.4262
196 V A 1.1839
197 F A 0.0000
198 E A -1.3473
199 D A -2.4286
200 D A -3.1339
201 S A -1.9305
202 E A 0.0000
203 K A -2.7138
204 G A -1.6052
205 S A -0.8272
206 N A 0.0000
207 A A -0.6186
208 L A -0.2137
209 L A 0.0000
210 A A -0.7096
211 R A -1.5793
212 A A -0.6376
213 W A -0.3451
214 S A -0.5595
215 P A 0.0000
216 G A 0.0000
217 W A -0.3578
218 S A -0.7242
219 N A -1.0277
220 G A 0.0000
221 D A -1.2408
222 K A -1.9550
223 A A -0.9082
224 L A 0.0000
225 T A -1.0907
226 T A -1.0857
227 F A 0.0000
228 I A 0.0000
229 N A -1.3800
230 G A -1.0522
231 P A -0.8624
232 L A 0.0000
233 L A -1.0352
234 E A -2.2863
235 Y A 0.0000
236 S A -2.3237
237 K A -2.9826
238 N A -2.3466
239 R A -2.5024
240 R A -3.3257
241 K A -2.0869
242 A A -1.4859
243 D A 0.0000
244 S A -0.6397
245 A A -0.0497
246 T A 0.0000
247 T A -0.6621
248 S A 0.1571
249 F A 0.6059
250 L A 0.0000
251 S A 0.0474
252 P A 0.0000
253 H A 0.0000
254 L A 0.0000
255 H A -0.2116
256 F A 0.0000
257 G A 0.0000
258 E A 0.0000
259 V A 0.0000
260 S A 0.0000
261 V A 0.0000
262 R A 0.0000
263 K A -0.5941
264 V A 0.0000
265 F A -0.1031
266 H A -0.7455
267 L A 0.3628
268 V A 0.0000
269 R A -0.4333
270 I A 1.5828
271 K A 0.2588
272 Q A -0.7022
273 V A 0.7506
274 A A -0.2603
275 W A 0.0000
276 A A -1.7354
277 N A -2.2250
278 E A -2.8672
279 G A -2.3218
280 N A -2.4873
281 E A -3.1053
282 A A -2.3030
283 G A 0.0000
284 E A -2.4923
285 E A -3.2191
286 S A 0.0000
287 V A 0.0000
288 N A -2.3768
289 L A -1.3602
290 F A 0.0000
291 L A 0.0000
292 K A -1.2182
293 S A -0.4815
294 I A 0.0000
295 G A 0.0000
296 L A 0.4729
297 R A 0.0263
298 E A 0.0000
299 Y A 0.0000
300 S A 0.0000
301 R A 0.0000
302 Y A 0.0000
303 I A 0.0000
304 S A 0.0000
305 F A 0.4733
306 N A -0.0951
307 H A -0.1658
308 P A 0.3270
309 Y A 0.4131
310 S A 0.0000
311 H A 0.0000
312 E A -1.4795
313 R A -2.0610
314 P A -0.9888
315 L A -0.0254
316 L A -0.1481
317 G A -1.0882
318 H A -0.7223
319 L A 0.0000
320 K A -1.7794
321 F A -0.2632
322 F A 0.0000
323 P A -0.0910
324 W A 0.7026
325 A A 0.5476
326 V A 1.0731
327 D A -1.0971
328 E A -2.5898
329 N A -2.5863
330 Y A -1.4676
331 F A 0.0000
332 K A -2.8796
333 A A -1.8893
334 W A 0.0000
335 R A -1.5989
336 Q A -1.5448
337 G A 0.0000
338 R A -1.5435
339 T A 0.0000
340 G A 0.0000
341 Y A 0.0000
342 P A 0.0000
343 L A 0.0000
344 V A 0.0000
345 D A 0.0000
346 A A 0.0000
347 G A 0.0000
348 M A 0.0000
349 R A -0.3702
350 E A 0.0000
351 L A 0.0000
352 W A 0.0916
353 A A 0.0000
354 T A -0.0390
355 G A 0.0000
356 W A 0.0023
357 L A 0.0000
358 H A 0.0000
359 D A -2.3658
360 R A -2.0102
361 I A 0.0000
362 R A -1.0688
363 V A 0.0000
364 V A 0.0000
365 V A 0.0000
366 S A 0.0000
367 S A 0.0000
368 F A 0.0000
369 F A 0.0000
370 V A 0.0000
371 K A 0.0000
372 V A 0.0000
373 L A 0.0000
374 Q A 0.0000
375 L A 0.0000
376 P A 0.0000
377 W A -0.0217
378 R A -0.4628
379 W A 0.0000
380 G A 0.0000
381 M A 0.0000
382 K A -0.1481
383 Y A 0.0484
384 F A 0.0000
385 W A 0.0000
386 D A -0.1513
387 T A 0.0000
388 L A 0.0000
389 L A 0.0000
390 D A 0.0000
391 A A 0.0000
392 D A 0.0000
393 L A 0.0000
394 E A 0.0000
395 S A -0.0925
396 D A -0.2359
397 A A 0.0000
398 L A 0.1970
399 G A -0.2443
400 W A 0.0000
401 Q A 0.0000
402 Y A -0.1452
403 I A 0.0000
404 T A 0.0000
405 G A -0.9647
406 T A 0.0000
407 L A 0.0000
408 P A -0.2101
409 D A -0.8737
410 S A -0.9043
411 R A -1.8347
412 E A -2.8232
413 F A 0.0000
414 D A -2.9578
415 R A -2.6990
416 I A -1.5443
417 D A -0.4838
418 N A 0.0347
419 P A 0.0000
420 Q A 0.5462
421 F A 1.4361
422 E A 0.1248
423 G A 0.0000
424 Y A -0.1283
425 K A -1.6775
426 F A 0.0000
427 D A 0.0000
428 P A -1.2643
429 N A -2.1489
430 G A 0.0000
431 E A -2.2780
432 Y A 0.0000
433 V A 0.0000
434 R A -2.0253
435 R A -1.7089
436 W A 0.0000
437 L A 0.0000
438 P A -1.1324
439 E A -1.5378
440 L A 0.0000
441 S A -1.8383
442 R A -2.1472
443 L A 0.0000
444 P A -1.2175
445 T A -1.6505
446 D A -1.8259
447 W A -0.8441
448 I A 0.0000
449 H A 0.0000
450 H A 0.0000
451 P A 0.0000
452 W A -0.1664
453 N A -1.3718
454 A A 0.0000
455 P A -1.3875
456 E A -2.5490
457 S A -1.4141
458 V A -0.9843
459 L A 0.0000
460 Q A -2.1707
461 A A -1.1622
462 A A 0.0000
463 G A -1.7815
464 I A 0.0000
465 E A -2.5549
466 L A -0.9156
467 G A -0.5821
468 S A -1.0846
469 N A -1.4732
470 Y A 0.0000
471 P A -0.1535
472 L A 1.1001
473 P A 0.7570
474 I A 0.7453
475 V A 0.0000
476 G A -1.1565
477 L A -1.7051
478 D A -3.1643
479 E A -3.2858
480 A A 0.0000
481 K A -3.6158
482 A A -2.7015
483 R A -2.6312
484 L A 0.0000
485 H A -2.6885
486 E A -2.6816
487 A A 0.0000
488 L A 0.0000
489 S A -1.1567
490 Q A -1.1299
491 M A 0.0000
492 W A 0.4227
493 Q A -0.6326
494 L A 0.1093
495 E A -0.5536
496 A A -0.5697
497 A A -0.3482
498 S A -0.7771
499 R A -1.9102
500 A A -1.4157
501 A A -1.3971
502 I A -1.0943
503 E A -2.6342
504 N A -2.5368
505 G A -2.1606
506 S A -1.8185
507 E A -2.4487
508 E A -2.6715
509 G A -1.6395
510 L A -0.4899
511 G A -1.3507
512 D A -2.1643
513 S A -1.1121
514 A A -0.9417
515 E A -2.1032
516 V A -0.4092
517 E A -2.2625
518 E A -2.2675
519 A A -1.3899
520 P A -1.1538
521 I A -0.0573
522 E A -1.5842
523 F A -1.0129
524 P A -1.3721
525 R A -2.4848
526 D A -1.8120
527 I A 0.6176
528 T A -0.3915
529 M A -0.2243
530 E A -2.5021
531 E A -2.9805
532 T A -2.3391
533 E A -2.8993
534 P A -1.6943
535 T A -1.3325
536 R A -1.7483
537 L A -0.4442
538 N A -2.0669
539 P A -2.1012
540 N A -2.9697
541 R A -3.9343
542 R A -3.6551
543 Y A -1.7982
544 E A -3.1743
545 D A -3.0420
546 Q A -1.5269
547 M A 0.1758
548 V A 0.2611
549 P A 0.1039
550 S A 0.2464
551 I A 0.2527
552 T A 0.0655
553 S A 0.4327
554 S A 0.8723
555 L A 1.8212
556 I A 1.4452
557 R A -1.2914
558 P A -2.0395
559 E A -3.7318
560 E A -4.5178
561 D A -4.5737
562 E A -4.3069
563 E A -3.3650
564 S A -1.5816
565 S A -0.3317
566 L A 0.9264
567 N A -0.2505
568 L A 0.1040
569 R A -2.0518
570 N A -1.5975
571 S A -0.5201
572 V A 0.7449
573 G A -0.5656
574 D A -2.1048
575 S A -2.0743
576 R A -2.7476
577 A A -1.3707
578 E A -1.4500
579 V A 0.4360
580 P A -0.9059
581 R A -1.9959
582 N A -1.3222
583 M A 0.5329
584 V A 1.3830
585 N A -0.4692
586 T A -1.1491
587 N A -2.2288
588 Q A -2.1321
589 A A -1.6165
590 Q A -2.4252
591 Q A -3.1207
592 R A -3.6324
593 R A -3.3238
594 A A -2.2042
595 E A -2.2937
596 P A -1.2295
597 A A -0.7815
598 S A -1.1496
599 N A -1.5728
600 Q A -1.0125
601 V A 0.9082
602 T A 0.7643
603 A A 1.3023
604 M A 1.9663
605 I A 1.9801
606 P A 0.5594
607 E A -0.8316
608 F A 0.8159
609 N A -0.1608
610 I A 1.3439
611 R A 0.2208
612 I A 2.3855
613 V A 2.0059
614 A A 0.4033
615 E A -1.5608
616 S A -1.5170
617 T A -1.7813
618 E A -2.8214
619 D A -2.8211
620 S A -1.4849
621 T A -0.8882
622 A A -0.9434
623 E A -1.9545
624 S A -1.2502
625 S A -0.8493
626 S A -0.5675
627 S A -1.0334
628 G A -1.8677
629 R A -3.4367
630 R A -4.0972
631 E A -4.1322
632 R A -3.3226
633 S A -1.8759
634 G A -0.7291
635 G A 0.6381
636 I A 2.2609
637 V A 2.1172
638 P A 0.4779
639 E A -0.7503
640 W A 0.2276
641 S A -0.2357
642 P A -0.1986
643 G A 0.1118
644 Y A 0.3936
645 S A -0.7096
646 E A -1.8020
647 Q A -1.1459
648 F A 0.5255
649 P A -0.6102
650 S A -1.6192
651 E A -3.0859
652 E A -3.3480
653 N A -2.4980
654 G A -0.8726
655 I A 0.9562
656 G A -0.0121
657 G A -0.5646
658 G A -0.9222
659 S A -0.6244
660 T A -0.4020
661 T A -0.2179
662 S A 0.1352
663 S A 0.5794
664 Y A 1.4695
665 L A 1.0296
666 Q A -1.1725
667 N A -2.2007
668 H A -2.4776
669 H A -2.0682
670 E A -1.4821
671 I A 1.2751
672 L A 1.3387
673 N A -0.7038
674 W A 0.1061
675 R A -2.0236
676 R A -2.0720
677 L A -0.0031
678 S A -0.8079
679 Q A -1.3117
680 T A -0.7157
681 G A -0.8050
Download PDB file
View in 3Dmol