Project name: f9d58cfc7cf1150

Status: done

Started: 2025-02-21 07:20:41
Chain sequence(s) A: MASEQARRENKVTEREVQVEKDRVPKMTSHFESMAEKGKDSDTHRHQTEGGGTQFVSLSDKGSNMPVSDEGEGETKMKRTQMPHSVGKFVTSSDSGTGKKKDEKEEHEKASLEDIHGYRANAQQKSMDSIKAAEERYNKAKESLSHSGQEARGGRGEEMVGKGRDSGVRVSHVGAVGGGGGGEEKESGVHGFHGEKARHAELLAAGGEEMREREGKESAGGVGGRSVKDTVAEKGQQAKESVGEGAQKAGSATSEKAQRASEYATEKGKEAGNMTAEQAARAKDYALQKAVEAKETAAEKAQRASEYMKETGSTAAEQAARAKDYTLQKAVEAKDVAAEKAQRASEYMTETGKQAGNVAAQKGQEAASMTAKAKDYTVQKAGEAAGYIKETTVEGGKGAAHYAGVAAEKAAAVGWTAAHFTTEKVVQGTKAVAGTVEGAVGYAGHKAVEVGSKAVDLTKEKAAVAADTVVGYTARKKEEAQHRDQEMHQGGEEEKQPGFVSGARRDFGEEYGEERGSEKDVYGYGAKGIPGEGRGDVGEAEYGRGSEKDVFGYGPKGTVEEARRDVGEEYGGGRGSERYVEEEGVGAGGVLGAIGETIAEIAQTTKNIVIGDAPVRTHEHGTTDPDYMRREHGQR
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.                                          (00:00:06)
Show buried residues

Minimal score value
-5.1511
Maximal score value
2.6356
Average score
-1.5243
Total score value
-967.9444

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 0.8409
2 A A -0.1492
3 S A -1.0448
4 E A -2.5726
5 Q A -2.6980
6 A A -2.6423
7 R A -3.8594
8 R A -4.3377
9 E A -4.1129
10 N A -3.2106
11 K A -2.4853
12 V A -0.3905
13 T A -1.4412
14 E A -2.7674
15 R A -3.0565
16 E A -2.4628
17 V A -0.1800
18 Q A -1.0485
19 V A -0.1876
20 E A -2.7730
21 K A -3.2573
22 D A -3.3491
23 R A -2.9210
24 V A -0.3159
25 P A -0.6439
26 K A -1.1203
27 M A 0.3231
28 T A -0.3799
29 S A -0.6539
30 H A -0.3615
31 F A 0.8618
32 E A -1.2765
33 S A -0.9100
34 M A -0.1263
35 A A -1.0343
36 E A -3.0819
37 K A -3.3000
38 G A -2.9110
39 K A -3.6424
40 D A -3.4853
41 S A -2.5058
42 D A -2.7100
43 T A -2.1242
44 H A -2.5457
45 R A -3.2217
46 H A -2.6814
47 Q A -2.4951
48 T A -1.9546
49 E A -2.5139
50 G A -1.6894
51 G A -1.4614
52 G A -1.1564
53 T A -0.3021
54 Q A -0.0095
55 F A 2.2591
56 V A 2.6356
57 S A 1.3666
58 L A 1.2961
59 S A -0.6056
60 D A -2.5041
61 K A -2.8116
62 G A -2.0541
63 S A -1.4747
64 N A -1.0483
65 M A 0.5444
66 P A 0.5295
67 V A 1.1778
68 S A -0.5944
69 D A -2.6204
70 E A -3.3585
71 G A -2.7109
72 E A -3.2243
73 G A -2.3454
74 E A -2.7177
75 T A -1.9074
76 K A -2.2996
77 M A -1.2748
78 K A -2.6968
79 R A -2.8139
80 T A -1.6422
81 Q A -1.5758
82 M A -0.1632
83 P A -0.3817
84 H A -0.6525
85 S A -0.1140
86 V A 0.9523
87 G A 0.1301
88 K A -0.0855
89 F A 2.0212
90 V A 2.0655
91 T A 0.7011
92 S A -0.1971
93 S A -1.0940
94 D A -2.2067
95 S A -1.4678
96 G A -1.4368
97 T A -1.3431
98 G A -2.0199
99 K A -3.4206
100 K A -4.1873
101 K A -4.5989
102 D A -4.8183
103 E A -4.9564
104 K A -4.8241
105 E A -4.8255
106 E A -4.7154
107 H A -4.0328
108 E A -3.9437
109 K A -3.0429
110 A A -1.3967
111 S A -0.8991
112 L A 0.3990
113 E A -1.4957
114 D A -1.1672
115 I A 0.4994
116 H A -1.2887
117 G A -1.2472
118 Y A -0.5573
119 R A -2.2777
120 A A -2.1278
121 N A -2.2422
122 A A -2.4257
123 Q A -2.9447
124 Q A -3.0107
125 K A -3.2006
126 S A -1.7471
127 M A -1.0809
128 D A -2.6882
129 S A -1.5659
130 I A -0.4540
131 K A -2.6206
132 A A -2.1981
133 A A -1.9109
134 E A -3.6187
135 E A -4.3439
136 R A -3.7960
137 Y A -2.4671
138 N A -3.8932
139 K A -4.2088
140 A A -2.5166
141 K A -3.3068
142 E A -3.4526
143 S A -1.8450
144 L A -0.8032
145 S A -1.8863
146 H A -2.4421
147 S A -1.9336
148 G A -2.0038
149 Q A -3.1500
150 E A -3.6379
151 A A -2.8196
152 R A -3.5851
153 G A -2.8426
154 G A -2.7581
155 R A -3.3819
156 G A -2.9808
157 E A -2.9398
158 E A -2.0869
159 M A 0.1394
160 V A 0.7391
161 G A -0.6807
162 K A -1.9183
163 G A -2.5328
164 R A -3.4783
165 D A -3.0014
166 S A -1.3501
167 G A -0.6836
168 V A 0.9703
169 R A -0.2754
170 V A 0.9629
171 S A 0.1250
172 H A 0.0587
173 V A 1.0136
174 G A 0.5906
175 A A 1.0315
176 V A 1.3311
177 G A 0.0263
178 G A -0.6797
179 G A -0.9826
180 G A -1.3402
181 G A -1.6501
182 G A -2.2687
183 E A -3.4699
184 E A -4.1245
185 K A -4.0545
186 E A -3.3953
187 S A -1.8136
188 G A -0.6940
189 V A 0.9099
190 H A -0.2104
191 G A 0.0440
192 F A 0.9018
193 H A -1.0695
194 G A -1.9159
195 E A -3.3293
196 K A -3.1823
197 A A -2.2967
198 R A -3.1369
199 H A -2.3573
200 A A -1.3087
201 E A -1.2454
202 L A 1.2575
203 L A 1.8734
204 A A 0.7817
205 A A 0.0583
206 G A -0.8087
207 G A -1.9842
208 E A -3.0297
209 E A -2.9881
210 M A -1.8550
211 R A -3.4737
212 E A -4.0200
213 R A -4.2353
214 E A -4.2450
215 G A -3.3392
216 K A -3.5982
217 E A -3.0898
218 S A -1.6040
219 A A -0.7975
220 G A -0.3567
221 G A 0.0106
222 V A 1.1022
223 G A -0.3967
224 G A -1.2559
225 R A -1.9128
226 S A -0.7800
227 V A -0.0120
228 K A -1.7070
229 D A -1.8882
230 T A -0.3965
231 V A 1.0421
232 A A -0.3800
233 E A -2.5256
234 K A -3.2517
235 G A -2.8245
236 Q A -2.8245
237 Q A -2.7305
238 A A -2.1413
239 K A -2.8846
240 E A -2.5776
241 S A -0.9683
242 V A 0.4322
243 G A -1.1678
244 E A -2.4986
245 G A -1.8313
246 A A -1.7375
247 Q A -2.8402
248 K A -2.8004
249 A A -1.4726
250 G A -1.6700
251 S A -1.8115
252 A A -1.7247
253 T A -1.5965
254 S A -2.0068
255 E A -3.1519
256 K A -3.5466
257 A A -2.5177
258 Q A -3.4327
259 R A -3.8519
260 A A -2.2466
261 S A -2.4118
262 E A -3.2224
263 Y A -1.5608
264 A A -1.8551
265 T A -2.5895
266 E A -3.8374
267 K A -3.4368
268 G A -3.1230
269 K A -3.7389
270 E A -3.3734
271 A A -2.1789
272 G A -2.4580
273 N A -2.6083
274 M A -1.0902
275 T A -1.4678
276 A A -1.6714
277 E A -2.8338
278 Q A -2.9448
279 A A -2.1755
280 A A -2.5707
281 R A -3.3678
282 A A -2.3178
283 K A -3.0070
284 D A -2.8983
285 Y A -0.8167
286 A A -0.8605
287 L A -0.7180
288 Q A -1.4499
289 K A -1.4733
290 A A -0.5756
291 V A -0.4341
292 E A -1.8740
293 A A -1.6103
294 K A -2.9010
295 E A -3.2363
296 T A -2.4640
297 A A -2.3928
298 A A -2.8884
299 E A -3.7747
300 K A -3.9766
301 A A -2.6467
302 Q A -3.3122
303 R A -3.5318
304 A A -2.0686
305 S A -2.2867
306 E A -2.8455
307 Y A -0.6687
308 M A -1.1984
309 K A -2.4375
310 E A -2.4286
311 T A -1.6844
312 G A -2.1840
313 S A -1.7758
314 T A -1.9141
315 A A -2.0041
316 A A -1.9718
317 E A -3.1511
318 Q A -3.2966
319 A A -2.3389
320 A A -2.6054
321 R A -3.2070
322 A A -2.0191
323 K A -2.4779
324 D A -2.4488
325 Y A -0.4582
326 T A -0.4341
327 L A 0.2219
328 Q A -0.9891
329 K A -1.3053
330 A A -0.4649
331 V A 0.1385
332 E A -1.2349
333 A A -0.8826
334 K A -2.1267
335 D A -2.3711
336 V A -0.7671
337 A A -1.4593
338 A A -2.5629
339 E A -3.2973
340 K A -3.4075
341 A A -2.4795
342 Q A -3.2089
343 R A -3.5937
344 A A -1.9542
345 S A -2.1630
346 E A -2.7315
347 Y A -0.6671
348 M A -0.9034
349 T A -2.2153
350 E A -2.5647
351 T A -1.6325
352 G A 0.0000
353 K A -3.1437
354 Q A -2.6595
355 A A -1.4696
356 G A -1.3787
357 N A -1.5938
358 V A 0.2556
359 A A -0.8388
360 A A -2.2430
361 Q A -2.6736
362 K A -3.0103
363 G A -2.1316
364 Q A -2.8750
365 E A -3.0547
366 A A -1.4703
367 A A -1.6246
368 S A -1.2786
369 M A -0.3249
370 T A -1.0066
371 A A -1.2273
372 K A -1.6918
373 A A -0.8917
374 K A -1.5870
375 D A -2.0341
376 Y A -0.4908
377 T A -0.7904
378 V A -0.3279
379 Q A -1.5109
380 K A -1.6126
381 A A -0.6546
382 G A -0.9799
383 E A -1.1346
384 A A -0.2545
385 A A -0.1698
386 G A -0.5148
387 Y A 0.8103
388 I A 1.0843
389 K A -1.1469
390 E A -1.6185
391 T A -0.5531
392 T A -0.2499
393 V A 0.3555
394 E A -1.2821
395 G A -1.7117
396 G A -2.2691
397 K A -2.5269
398 G A -1.6509
399 A A -0.6962
400 A A -0.3498
401 H A -0.2761
402 Y A 1.1245
403 A A 0.2608
404 G A -0.3236
405 V A 0.2761
406 A A -0.2875
407 A A -0.7237
408 E A -2.0317
409 K A -1.7008
410 A A -0.6141
411 A A -0.4226
412 A A 0.0018
413 V A 1.2491
414 G A 0.2379
415 W A 1.0510
416 T A 1.0257
417 A A 0.9671
418 A A 0.4141
419 H A -0.3847
420 F A 0.8596
421 T A -0.0183
422 T A -0.4137
423 E A -0.8194
424 K A -1.2060
425 V A 0.3175
426 V A 0.3070
427 Q A -0.9480
428 G A -0.4583
429 T A -0.1456
430 K A -1.0100
431 A A 0.2149
432 V A 1.3120
433 A A 0.1908
434 G A -0.4514
435 T A 0.5015
436 V A 1.2299
437 E A -0.5816
438 G A -0.4507
439 A A 0.7153
440 V A 1.7983
441 G A 0.6163
442 Y A 1.5404
443 A A 0.2640
444 G A -0.7221
445 H A -1.8057
446 K A -1.9054
447 A A -0.1114
448 V A 0.5561
449 E A -1.1530
450 V A 0.5777
451 G A 0.0244
452 S A -0.6632
453 K A -1.4471
454 A A -0.6397
455 V A -0.9205
456 D A -2.7260
457 L A -1.2585
458 T A -1.8702
459 K A -2.8396
460 E A -2.8850
461 K A -2.4909
462 A A -1.3895
463 A A -0.9126
464 V A 0.2678
465 A A 0.0542
466 A A 0.3480
467 D A -0.1476
468 T A 1.0462
469 V A 2.2039
470 V A 1.9947
471 G A 0.3431
472 Y A 0.5116
473 T A -0.4051
474 A A -1.4140
475 R A -3.3921
476 K A -3.7640
477 K A -4.3117
478 E A -5.1511
479 E A -4.6964
480 A A -4.2844
481 Q A -5.0695
482 H A -5.0594
483 R A -5.0955
484 D A -4.8858
485 Q A -4.5774
486 E A -4.4458
487 M A -2.6338
488 H A -3.3406
489 Q A -3.4743
490 G A -2.6573
491 G A -2.7991
492 E A -4.0471
493 E A -4.4914
494 E A -4.3722
495 K A -4.1454
496 Q A -2.7616
497 P A -1.1226
498 G A 0.3393
499 F A 2.3218
500 V A 2.3561
501 S A 0.7128
502 G A -0.5331
503 A A -1.5397
504 R A -3.0899
505 R A -3.3194
506 D A -2.3010
507 F A -0.1309
508 G A -1.0695
509 E A -2.2489
510 E A -2.2698
511 Y A -0.5750
512 G A -1.7266
513 E A -3.1239
514 E A -3.8359
515 R A -3.4721
516 G A -2.4501
517 S A -2.0919
518 E A -3.2585
519 K A -3.1171
520 D A -1.8314
521 V A 1.0561
522 Y A 1.8133
523 G A 1.0771
524 Y A 1.1853
525 G A -0.2713
526 A A -0.7924
527 K A -1.5929
528 G A -0.5123
529 I A 1.2023
530 P A -0.0129
531 G A -1.3078
532 E A -2.7461
533 G A -2.7076
534 R A -3.0087
535 G A -2.2219
536 D A -1.7744
537 V A -0.0493
538 G A -0.9184
539 E A -2.0311
540 A A -1.6508
541 E A -1.6526
542 Y A -0.1689
543 G A -1.3354
544 R A -2.0850
545 G A -1.9805
546 S A -2.1727
547 E A -3.2491
548 K A -3.2471
549 D A -1.9147
550 V A 1.3914
551 F A 2.4255
552 G A 1.6137
553 Y A 1.1995
554 G A -0.0338
555 P A -1.0930
556 K A -1.9973
557 G A -1.2886
558 T A -0.3267
559 V A 0.1847
560 E A -1.8879
561 E A -2.7326
562 A A -2.8993
563 R A -3.5452
564 R A -3.3478
565 D A -2.6684
566 V A -0.3625
567 G A -1.4289
568 E A -2.4977
569 E A -2.1672
570 Y A -0.3847
571 G A -0.8935
572 G A -1.2900
573 G A -1.6990
574 R A -2.5031
575 G A -2.2401
576 S A -2.2529
577 E A -2.5166
578 R A -2.0927
579 Y A 0.1258
580 V A -0.0824
581 E A -2.2239
582 E A -2.7490
583 E A -2.7285
584 G A -1.4180
585 V A 0.5391
586 G A -0.0962
587 A A -0.0641
588 G A 0.0059
589 G A 0.7099
590 V A 2.4242
591 L A 2.1560
592 G A 0.7152
593 A A 0.8797
594 I A 1.9130
595 G A 0.4490
596 E A -0.9613
597 T A 0.3711
598 I A 1.6598
599 A A -0.0724
600 E A -1.2135
601 I A 0.8205
602 A A -0.2495
603 Q A -1.4316
604 T A -0.7069
605 T A 0.0951
606 K A -1.2027
607 N A -0.7717
608 I A 1.5760
609 V A 2.1475
610 I A 1.7874
611 G A 0.1909
612 D A -1.0682
613 A A -0.5083
614 P A -0.4198
615 V A 0.3311
616 R A -1.6569
617 T A -1.6651
618 H A -2.6314
619 E A -3.2196
620 H A -2.4286
621 G A -1.9055
622 T A -1.3220
623 T A -1.3510
624 D A -2.1012
625 P A -1.6227
626 D A -2.2076
627 Y A -0.6339
628 M A -0.7865
629 R A -3.0508
630 R A -3.6086
631 E A -3.6941
632 H A -3.3539
633 G A -3.0409
634 Q A -2.8580
635 R A -2.6763
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