Project name: a6b3966d5068a94

Status: done

Started: 2025-02-21 06:43:42
Chain sequence(s) A: MITAADFYHVMTAMVPLYVAMILAYGSVKWWKIFTPDQCSGINRFVALFAVPLLSFHFIAANNPYAMNLRFLAADSLQKVIVLSLLFLWCKLSRNGSLDWTITLFSLSTLPNTLVMGIPLLKGMYGNFSGDLMVQIVVLQCIIWYTLMLFLFEYRGAKLLISEQFPDTAGSIVSIHVDSDIMSLDGRQPLETEAEIKEDGKLHVTVRRSNASRSDIYSRRSQGLSATPRPSNLTNAEIYSLQSSRNPTPRGSSFNHTDFYSMMASGGGRNSNFGPGEAVFGSKGPTPRPSNYEEDGGPAKPTAAGTAAGAGRFHYQSGGSGGGGGAHYPAPNPGMFSPNTGGGGGTAAKGNAPVVGGKRQDGNGRDLHMFVWSSSASPVSDVFGGGGGNHHADYSTATNDHQKDVKISVPQGNSNDNQYVEREEFSFGNKDDDSKVLATDGGNNISNKTTQAKVMPPTSVMTRLILIMVWRKLIRNPNSYSSLFGITWSLISFKWNIEMPALIAKSISILSDAGLGMAMFSLGLFMALNPRIIACGNRRAAFAAAMRFVVGPAVMLVASYAVGLRGVLLHVAIIQAALPQGIVPFVFAKEYNVHPDILSTAVIFGMLIALPITLLYYILLGL
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
-4.1589
Maximal score value
3.5879
Average score
-0.2727
Total score value
-169.6119

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 2.2330
2 I A 1.8785
3 T A 0.7222
4 A A 0.8061
5 A A 0.5532
6 D A 0.3659
7 F A 1.5968
8 Y A 1.3738
9 H A -0.2760
10 V A 0.0000
11 M A 0.9277
12 T A 0.4350
13 A A 0.1072
14 M A 0.0000
15 V A 1.5321
16 P A 1.0085
17 L A 0.0000
18 Y A 2.0158
19 V A 2.6019
20 A A 1.9051
21 M A 0.0000
22 I A 3.1035
23 L A 2.5481
24 A A 0.0000
25 Y A 1.3364
26 G A 0.0000
27 S A 0.0000
28 V A 0.4643
29 K A -0.3051
30 W A 0.9949
31 W A 1.5182
32 K A 0.0281
33 I A 1.7309
34 F A 0.4220
35 T A -0.7017
36 P A -1.3479
37 D A -2.3558
38 Q A -1.6803
39 C A 0.0000
40 S A -0.9594
41 G A -0.9196
42 I A -0.0487
43 N A 0.0000
44 R A 0.3568
45 F A 1.5460
46 V A 0.0000
47 A A 0.9929
48 L A 1.5333
49 F A 2.5530
50 A A 0.0000
51 V A 1.0364
52 P A 0.0000
53 L A 1.2081
54 L A 0.0000
55 S A 0.0000
56 F A 1.2517
57 H A 0.0475
58 F A 0.2044
59 I A 0.0000
60 A A 0.0000
61 A A -0.1816
62 N A 0.0000
63 N A -0.0091
64 P A 0.6040
65 Y A 1.2060
66 A A 0.6981
67 M A 0.4261
68 N A 0.0638
69 L A 0.7029
70 R A -1.0348
71 F A 0.0000
72 L A 0.2435
73 A A 0.0696
74 A A 0.0000
75 D A 0.0000
76 S A 0.6089
77 L A 1.4246
78 Q A 0.0000
79 K A 0.0000
80 V A 1.9926
81 I A 2.1105
82 V A 0.0000
83 L A 2.1738
84 S A 2.4366
85 L A 2.9862
86 L A 0.0000
87 F A 3.2077
88 L A 2.9800
89 W A 1.8869
90 C A 0.9093
91 K A 0.0098
92 L A 0.9819
93 S A -0.7250
94 R A -2.3567
95 N A -2.1193
96 G A -0.7286
97 S A -0.5244
98 L A 0.2970
99 D A -0.4032
100 W A -0.0829
101 T A 0.7872
102 I A 0.0000
103 T A 0.0000
104 L A 0.0000
105 F A 0.0000
106 S A 0.0000
107 L A 0.0000
108 S A 0.0000
109 T A 0.0000
110 L A 0.0000
111 P A 0.0000
112 N A 0.0000
113 T A 0.0000
114 L A 0.2762
115 V A 0.0000
116 M A 0.0000
117 G A 0.0000
118 I A 0.0000
119 P A -0.6189
120 L A 0.0000
121 L A 0.0000
122 K A -1.8849
123 G A -0.9412
124 M A 0.0000
125 Y A -0.3077
126 G A -1.2758
127 N A -1.5322
128 F A -0.2000
129 S A 0.0000
130 G A 0.0000
131 D A -1.5564
132 L A 0.0000
133 M A 0.0000
134 V A 0.0000
135 Q A 0.0000
136 I A 0.0000
137 V A 0.0000
138 V A 1.1499
139 L A 1.1515
140 Q A 0.0000
141 C A 1.3294
142 I A 2.2550
143 I A 2.0274
144 W A 0.0000
145 Y A 1.1775
146 T A 1.3975
147 L A 1.2136
148 M A 0.0000
149 L A 0.0000
150 F A 1.3206
151 L A 0.6550
152 F A 0.0000
153 E A 0.0000
154 Y A 0.6173
155 R A 0.0208
156 G A 0.0000
157 A A 0.0000
158 K A -0.3398
159 L A -0.1055
160 L A -0.5680
161 I A 0.0000
162 S A -1.0836
163 E A -2.0399
164 Q A -1.6362
165 F A -0.9717
166 P A -1.4762
167 D A -2.1740
168 T A -0.8059
169 A A 0.0000
170 G A 0.1828
171 S A -0.1953
172 I A 0.0000
173 V A 0.5885
174 S A -0.2747
175 I A 0.0000
176 H A -1.5328
177 V A 0.0000
178 D A -1.7091
179 S A -1.6311
180 D A -2.3962
181 I A 0.0000
182 M A -0.6104
183 S A 0.0000
184 L A 0.0000
185 D A -1.1386
186 G A -1.4748
187 R A -2.1568
188 Q A -1.8190
189 P A -1.7956
190 L A -2.0000
191 E A -2.4451
192 T A -2.1304
193 E A -2.8930
194 A A -1.6737
195 E A -2.0985
196 I A -0.6269
197 K A -2.7351
198 E A -3.2694
199 D A -2.8739
200 G A -2.2397
201 K A -1.9573
202 L A 0.0000
203 H A -1.1751
204 V A 0.0000
205 T A -1.7762
206 V A 0.0000
207 R A -2.9619
208 R A -3.1041
209 S A 0.0000
210 N A -2.5975
211 A A -1.9389
212 S A -1.9377
213 R A -2.2108
214 S A -1.5128
215 D A -1.7499
216 I A 0.5763
217 Y A 0.3198
218 S A -1.3708
219 R A -2.7361
220 R A -2.8776
221 S A -1.9993
222 Q A -1.8334
223 G A -0.6815
224 L A 0.9039
225 S A 0.4336
226 A A -0.0826
227 T A -0.5507
228 P A -1.3364
229 R A -2.1588
230 P A -1.5795
231 S A -1.0955
232 N A -0.7128
233 L A 0.5802
234 T A -0.3008
235 N A -1.4259
236 A A -1.0749
237 E A -0.9010
238 I A 1.9634
239 Y A 2.1402
240 S A 1.1267
241 L A 1.3172
242 Q A -0.6922
243 S A -1.0014
244 S A -1.6736
245 R A -2.8090
246 N A -2.4123
247 P A -1.5314
248 T A -1.3041
249 P A -1.4761
250 R A -2.2506
251 G A -1.3247
252 S A -0.6062
253 S A 0.0078
254 F A 0.8016
255 N A -1.0529
256 H A -0.8965
257 T A -0.4646
258 D A -0.5035
259 F A 1.9193
260 Y A 2.0073
261 S A 1.0448
262 M A 1.9123
263 M A 2.0097
264 A A 1.1299
265 S A 0.0844
266 G A -0.5924
267 G A -1.3385
268 G A -2.0251
269 R A -3.0895
270 N A -2.6053
271 S A -1.5400
272 N A -1.0051
273 F A 0.8188
274 G A -0.0538
275 P A -0.8017
276 G A -1.5524
277 E A -1.6714
278 A A 0.1712
279 V A 2.2385
280 F A 2.5461
281 G A 0.3982
282 S A -0.9595
283 K A -2.1837
284 G A -1.5146
285 P A -0.9939
286 T A -0.8496
287 P A -1.3662
288 R A -2.1520
289 P A -1.5694
290 S A -1.2690
291 N A -1.4471
292 Y A -0.6951
293 E A -2.7961
294 E A -3.4964
295 D A -3.3864
296 G A -2.1663
297 G A -1.2063
298 P A -0.9357
299 A A -1.0162
300 K A -1.8647
301 P A -1.0736
302 T A -0.5199
303 A A -0.1261
304 A A -0.2048
305 G A -0.4471
306 T A -0.2783
307 A A -0.1506
308 A A -0.1640
309 G A -0.4994
310 A A -0.7703
311 G A -1.0416
312 R A -1.3040
313 F A 0.7232
314 H A -0.0033
315 Y A 0.5385
316 Q A -0.9133
317 S A -0.8252
318 G A -1.0839
319 G A -0.9382
320 S A -0.8629
321 G A -0.9833
322 G A -1.0560
323 G A -1.1082
324 G A -0.9979
325 G A -0.9883
326 A A -0.4818
327 H A -0.4865
328 Y A 0.7125
329 P A -0.0485
330 A A -0.3157
331 P A -0.8122
332 N A -1.5272
333 P A -0.9042
334 G A 0.1476
335 M A 1.4446
336 F A 2.0178
337 S A 0.5329
338 P A -0.3803
339 N A -1.3524
340 T A -1.0590
341 G A -1.0825
342 G A -1.0262
343 G A -1.1056
344 G A -1.0260
345 G A -0.8082
346 T A -0.3540
347 A A -0.4031
348 A A -0.8273
349 K A -2.1507
350 G A -1.8668
351 N A -1.8806
352 A A -0.1795
353 P A 0.7261
354 V A 2.3865
355 V A 2.0996
356 G A -0.1420
357 G A -1.5568
358 K A -3.3078
359 R A -4.0017
360 Q A -3.7803
361 D A -3.7747
362 G A -2.9309
363 N A -3.2983
364 G A -2.6531
365 R A -3.1605
366 D A -2.5059
367 L A -0.2184
368 H A -1.0808
369 M A -0.6820
370 F A 0.2173
371 V A 0.1299
372 W A 0.4455
373 S A -0.1183
374 S A -0.6172
375 S A -0.6029
376 A A 0.0659
377 S A 0.1012
378 P A 0.3028
379 V A 1.2841
380 S A 0.5981
381 D A -0.2492
382 V A 1.8006
383 F A 1.8636
384 G A 0.1082
385 G A -0.3000
386 G A -1.0724
387 G A -1.4020
388 G A -1.6329
389 N A -2.3652
390 H A -2.2254
391 H A -2.1756
392 A A -1.4739
393 D A -1.3879
394 Y A 0.3479
395 S A 0.0435
396 T A 0.1203
397 A A -0.5370
398 T A -1.0732
399 N A -2.5369
400 D A -3.1703
401 H A -3.3233
402 Q A -3.2718
403 K A -3.1509
404 D A -2.4076
405 V A 0.0843
406 K A -0.6298
407 I A 1.8266
408 S A 1.1338
409 V A 1.5531
410 P A -0.0998
411 Q A -1.5359
412 G A -1.6902
413 N A -2.4389
414 S A -2.3884
415 N A -3.0533
416 D A -3.3459
417 N A -2.8024
418 Q A -1.6727
419 Y A 0.3780
420 V A 0.2660
421 E A -2.3243
422 R A -3.1123
423 E A -3.4060
424 E A -2.6104
425 F A 0.3232
426 S A 0.5524
427 F A 1.4552
428 G A -0.5881
429 N A -2.4273
430 K A -3.5480
431 D A -4.1589
432 D A -3.9690
433 D A -3.5433
434 S A -2.0088
435 K A -0.9913
436 V A 1.7082
437 L A 2.1099
438 A A 0.6495
439 T A -0.4561
440 D A -2.1398
441 G A -1.8641
442 G A -1.7349
443 N A -1.8008
444 N A -1.1256
445 I A 0.4689
446 S A -0.6135
447 N A -1.9523
448 K A -2.3872
449 T A -1.7175
450 T A -1.5687
451 Q A -1.9397
452 A A -0.9602
453 K A -1.4142
454 V A 0.6114
455 M A 0.7592
456 P A 0.0000
457 P A 0.3226
458 T A -0.3463
459 S A -0.6035
460 V A -0.2754
461 M A 0.0000
462 T A -0.3366
463 R A -1.2835
464 L A 0.0000
465 I A 0.0000
466 L A 1.6667
467 I A 1.1744
468 M A 0.0000
469 V A 0.0000
470 W A 1.8782
471 R A 0.6018
472 K A 0.0000
473 L A 0.7591
474 I A 0.5658
475 R A -1.2322
476 N A -0.5231
477 P A 0.4567
478 N A 0.9125
479 S A 1.2286
480 Y A 1.8670
481 S A 0.0000
482 S A 0.0000
483 L A 3.1502
484 F A 3.2031
485 G A 0.0000
486 I A 1.9788
487 T A 1.7863
488 W A 1.7467
489 S A 0.0000
490 L A 1.3110
491 I A 1.0049
492 S A 0.4537
493 F A 0.4065
494 K A -0.3230
495 W A 0.4720
496 N A -0.5381
497 I A 0.3066
498 E A -1.0972
499 M A -0.1573
500 P A 0.3657
501 A A 0.4619
502 L A 1.7300
503 I A 1.7537
504 A A 0.4314
505 K A -0.1782
506 S A 0.8091
507 I A 0.7679
508 S A 0.2532
509 I A 1.2662
510 L A 1.1559
511 S A 0.0000
512 D A -0.8496
513 A A 0.0144
514 G A 0.0000
515 L A -0.0999
516 G A -0.0637
517 M A 0.4431
518 A A 0.0000
519 M A 0.0000
520 F A 1.2449
521 S A 0.0000
522 L A 0.0000
523 G A 0.0000
524 L A 0.0000
525 F A 0.0000
526 M A 0.0000
527 A A -0.0146
528 L A -0.1944
529 N A -0.4181
530 P A -0.8827
531 R A -1.5313
532 I A 0.1419
533 I A -0.2223
534 A A -0.9584
535 C A -1.3487
536 G A -1.6987
537 N A -2.2214
538 R A -2.6344
539 R A -1.8925
540 A A 0.0000
541 A A -0.6760
542 F A -0.1560
543 A A 0.0000
544 A A 0.5404
545 A A 1.0530
546 M A 1.0785
547 R A 0.0000
548 F A 0.0000
549 V A 2.1561
550 V A 1.6684
551 G A 0.0000
552 P A 0.0000
553 A A 1.5312
554 V A 1.7527
555 M A 0.0000
556 L A 2.0252
557 V A 2.7664
558 A A 0.0000
559 S A 0.0000
560 Y A 1.7730
561 A A 1.3942
562 V A 0.4826
563 G A -0.3286
564 L A 0.0000
565 R A -1.4764
566 G A -0.5794
567 V A 0.8469
568 L A 0.0965
569 L A 0.0000
570 H A 0.3416
571 V A 0.0000
572 A A 0.0000
573 I A 0.0000
574 I A 0.0000
575 Q A 0.0000
576 A A 0.0000
577 A A 0.0000
578 L A 0.0000
579 P A 0.0000
580 Q A 0.0000
581 G A 0.0000
582 I A 0.0000
583 V A 0.4939
584 P A 0.0000
585 F A 0.0000
586 V A 0.2875
587 F A 0.0879
588 A A 0.0000
589 K A -0.8216
590 E A 0.0000
591 Y A 0.0000
592 N A -1.8886
593 V A 0.0000
594 H A -1.1571
595 P A -1.2661
596 D A -1.9682
597 I A 0.0000
598 L A 0.0000
599 S A 0.0000
600 T A 0.0000
601 A A 0.0000
602 V A 0.0000
603 I A 0.0000
604 F A 1.3460
605 G A 0.0000
606 M A 0.0000
607 L A 1.5608
608 I A 1.1354
609 A A 0.0000
610 L A 1.0057
611 P A 0.7726
612 I A 1.3046
613 T A 0.0000
614 L A 1.9162
615 L A 2.6375
616 Y A 2.0666
617 Y A 0.0000
618 I A 3.5879
619 L A 3.4408
620 L A 2.3726
621 G A 2.4714
622 L A 2.7518
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