Project name: c399946466088d7

Status: done

Started: 2025-02-21 06:49:11
Chain sequence(s) A: MGGLIDLNVMETEEDETQTQTPSSASGSVSPTSSSSASVSVVSSNSAGGGVCLELWHACAGPLISLPKRGSLVLYFPQGHLEQAPDFSAAIYGLPPHVFCRILDVKLHAETTTDEVYAQVSLLPESEDIERKVREGIIDVDGGEEDYEVLKRSNTPHMFCKTLTASDTSTHGGFSVPRRAAEDCFPPLDYSQPRPSQELLARDLHGLEWRFRHIYRGQPRRHLLTTGWSAFVNKKKLVSGDAVLFLRGDDGKLRLGVRRASQIEGTAALSAQYNQNMNHNNFSEVAHAISTHSVFSISYNPKASWSNFIIPAPKFLKVVDYPFCIGMRFKARVESEDASERRSPGIISGISDLDPIRWPGSKWRCLLVRWDDIVANGHQQRVSPWEIEPSGSISNSGSFVTTGPKRSRIGFSSGKPDIPVSEGIRATDFEESLRFQRVLQGQEIFPGFINTCSDGGAGARRGRFKGTEFGDSYGFHKVLQGQETVPAYSITDHRQQHGLSQRNIWCGPFQNFSTRILPPSVSSSPSSVLLTNSNSPNGRLEDHHGGSGRCRLFGFPLTDETTAVASATAVPCVEGNSMKGASAVQSNHHHSQGRDIYAMRDMLLDIAL
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.    (00:00:00)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)
Show buried residues

Minimal score value
-4.4679
Maximal score value
3.1098
Average score
-0.6094
Total score value
-370.5027

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 0.7311
2 G A 0.1702
3 G A 0.7782
4 L A 1.7811
5 I A 2.1418
6 D A 0.0021
7 L A 0.9756
8 N A 0.1539
9 V A 1.6483
10 M A 0.7346
11 E A -1.2964
12 T A -1.9692
13 E A -3.5773
14 E A -4.0862
15 D A -3.9572
16 E A -3.3647
17 T A -1.9211
18 Q A -1.9366
19 T A -1.2639
20 Q A -1.5856
21 T A -0.8445
22 P A -0.6980
23 S A -0.4494
24 S A -0.3906
25 A A -0.2924
26 S A -0.4977
27 G A -0.3044
28 S A 0.3332
29 V A 1.4180
30 S A 0.4394
31 P A -0.0626
32 T A -0.3956
33 S A -0.4469
34 S A -0.4821
35 S A -0.4512
36 S A -0.1924
37 A A 0.2343
38 S A 0.7614
39 V A 2.2417
40 S A 1.9351
41 V A 2.8433
42 V A 2.5191
43 S A 0.6118
44 S A -0.2185
45 N A -1.4179
46 S A -1.1769
47 A A -0.8396
48 G A -1.0034
49 G A -0.9623
50 G A -0.8071
51 V A 0.0058
52 C A 0.3171
53 L A 1.0797
54 E A -0.1822
55 L A 0.0000
56 W A 0.0000
57 H A -0.0462
58 A A 0.0000
59 C A 0.0000
60 A A 0.0000
61 G A 0.0000
62 P A -0.3831
63 L A -0.1462
64 I A 0.1031
65 S A -0.0463
66 L A -0.3331
67 P A -1.0922
68 K A -2.3355
69 R A -2.6858
70 G A -1.7095
71 S A -1.7203
72 L A 0.0000
73 V A 0.0000
74 L A 0.0000
75 Y A 0.0000
76 F A 0.0000
77 P A 0.0000
78 Q A 0.0000
79 G A 0.0000
80 H A 0.0000
81 L A -0.3831
82 E A -1.1135
83 Q A -0.9328
84 A A -1.0391
85 P A -0.9728
86 D A -1.3802
87 F A 1.0290
88 S A 0.4352
89 A A 0.7777
90 A A 0.1457
91 I A 0.0000
92 Y A 1.1450
93 G A 0.0751
94 L A -0.0711
95 P A -0.2320
96 P A -0.6217
97 H A -0.4262
98 V A 0.0000
99 F A 0.0000
100 C A 0.0000
101 R A -0.9430
102 I A 0.0000
103 L A -0.3734
104 D A -1.3747
105 V A -1.1532
106 K A -1.0379
107 L A -0.1003
108 H A -0.4315
109 A A -0.3703
110 E A -0.5742
111 T A -0.4216
112 T A -0.6718
113 T A -0.6452
114 D A 0.0000
115 E A -0.8469
116 V A 0.0000
117 Y A -0.4302
118 A A 0.0000
119 Q A -0.7193
120 V A 0.0000
121 S A -0.1418
122 L A 0.0000
123 L A 0.4705
124 P A 0.0000
125 E A -1.1589
126 S A -1.7510
127 E A -2.9739
128 D A -2.8817
129 I A -1.8332
130 E A -2.7685
131 R A -3.4069
132 K A -2.5141
133 V A 0.0000
134 R A -3.0430
135 E A -2.8636
136 G A -1.4956
137 I A 0.4541
138 I A -0.4588
139 D A -1.9727
140 V A -1.4150
141 D A -2.8431
142 G A -2.6570
143 G A -2.2785
144 E A -2.6294
145 E A -2.3870
146 D A -1.4679
147 Y A -0.1413
148 E A -0.8668
149 V A 0.2592
150 L A 0.4131
151 K A -1.6197
152 R A -2.0538
153 S A -1.3436
154 N A -2.2991
155 T A -1.8250
156 P A -1.8457
157 H A -1.8949
158 M A -0.1417
159 F A 0.0000
160 C A 0.0087
161 K A -0.5052
162 T A -0.7039
163 L A 0.0000
164 T A -0.0727
165 A A 0.0662
166 S A -0.4937
167 D A 0.0000
168 T A -0.3623
169 S A -0.4342
170 T A -0.8685
171 H A -1.1982
172 G A -0.8001
173 G A -0.5845
174 F A 0.0000
175 S A -0.7460
176 V A 0.0000
177 P A -2.1078
178 R A -3.9514
179 R A -3.7635
180 A A 0.0000
181 A A 0.0000
182 E A -3.6004
183 D A -3.3048
184 C A 0.0000
185 F A 0.0000
186 P A -1.4642
187 P A -1.1261
188 L A 0.0000
189 D A -1.7554
190 Y A -0.3583
191 S A -0.9118
192 Q A -1.8041
193 P A -1.7241
194 R A -2.6617
195 P A 0.0000
196 S A -1.7148
197 Q A -1.8684
198 E A -2.3419
199 L A 0.0000
200 L A -0.5984
201 A A 0.0000
202 R A -2.2248
203 D A 0.0000
204 L A 0.0000
205 H A -0.7331
206 G A -0.9659
207 L A -0.3033
208 E A -1.8683
209 W A -1.3083
210 R A -2.3478
211 F A 0.0000
212 R A -2.1108
213 H A 0.0000
214 I A 0.0000
215 Y A -2.1832
216 R A -3.3331
217 G A -3.0111
218 Q A -2.7669
219 P A -2.5215
220 R A -3.8169
221 R A -3.7356
222 H A 0.0000
223 L A -1.2271
224 L A 0.0000
225 T A -0.6131
226 T A -1.0632
227 G A -1.1295
228 W A 0.0000
229 S A -0.9551
230 A A -1.3299
231 F A 0.0000
232 V A 0.0000
233 N A -2.5440
234 K A -2.8437
235 K A 0.0000
236 K A -2.3514
237 L A 0.0000
238 V A 0.8120
239 S A 0.4132
240 G A -0.5806
241 D A 0.0000
242 A A -0.4799
243 V A 0.0000
244 L A 0.0000
245 F A 0.0000
246 L A 0.0000
247 R A -2.3111
248 G A 0.0000
249 D A -3.3227
250 D A -2.8609
251 G A -2.7140
252 K A -2.8536
253 L A 0.0000
254 R A -1.3061
255 L A 0.0000
256 G A 0.0000
257 V A 0.0000
258 R A -0.5996
259 R A -0.6621
260 A A -0.4884
261 S A -0.9550
262 Q A -1.0210
263 I A 0.3334
264 E A -1.3942
265 G A -0.7221
266 T A -0.0737
267 A A 0.0531
268 A A 0.1786
269 L A 0.9120
270 S A -0.1046
271 A A -0.8429
272 Q A -1.3771
273 Y A -0.9672
274 N A -1.9564
275 Q A -2.8108
276 N A -2.5517
277 M A -1.9584
278 N A -2.6273
279 H A -2.5821
280 N A -2.1966
281 N A -2.6010
282 F A -1.3603
283 S A -1.6453
284 E A -2.7881
285 V A 0.0000
286 A A -1.2656
287 H A -1.7228
288 A A 0.0000
289 I A 0.0000
290 S A -1.1140
291 T A -0.7177
292 H A -0.9011
293 S A -0.0942
294 V A 1.4055
295 F A 0.0000
296 S A -0.1680
297 I A 0.0000
298 S A -0.5920
299 Y A 0.0000
300 N A -0.5511
301 P A 0.0000
302 K A -0.8650
303 A A -0.4983
304 S A -0.0488
305 W A 0.6177
306 S A 0.0000
307 N A -0.3132
308 F A 0.0000
309 I A 0.0000
310 I A 0.0000
311 P A -0.7233
312 A A 0.0000
313 P A -1.8204
314 K A -1.7290
315 F A 0.0000
316 L A -1.3318
317 K A -2.0269
318 V A -1.0878
319 V A -0.8779
320 D A -1.6809
321 Y A -0.5630
322 P A 0.0338
323 F A 0.6648
324 C A 1.5302
325 I A 2.2527
326 G A 0.2582
327 M A 0.0000
328 R A -1.8101
329 F A 0.0000
330 K A -2.4613
331 A A 0.0000
332 R A -3.1332
333 V A -2.3524
334 E A -2.6415
335 S A 0.0000
336 E A -3.0126
337 D A -2.9815
338 A A -2.1060
339 S A -2.4639
340 E A -3.3095
341 R A -3.8533
342 R A -3.8529
343 S A -2.6889
344 P A -2.4101
345 G A 0.0000
346 I A -0.5271
347 I A 0.0000
348 S A 0.2185
349 G A 1.1055
350 I A 1.6010
351 S A 0.1735
352 D A -0.1259
353 L A 0.3442
354 D A 0.1145
355 P A 0.2094
356 I A 1.4886
357 R A 0.2180
358 W A 0.0000
359 P A -0.3765
360 G A -0.7553
361 S A 0.0000
362 K A -0.7712
363 W A 0.0000
364 R A 0.0000
365 C A 0.0000
366 L A 0.0000
367 L A 0.2141
368 V A 0.0000
369 R A -2.3256
370 W A -1.6884
371 D A -1.6316
372 D A -1.1841
373 I A 1.1907
374 V A 1.6570
375 A A 0.1239
376 N A -0.8077
377 G A -0.6274
378 H A -1.0828
379 Q A -1.5014
380 Q A -1.9494
381 R A -0.9588
382 V A 0.0000
383 S A 0.0000
384 P A 0.0000
385 W A 0.0000
386 E A -0.7572
387 I A 0.0000
388 E A -1.6478
389 P A -0.8554
390 S A -1.0460
391 G A -0.6753
392 S A 0.0993
393 I A 0.8945
394 S A -0.2773
395 N A -1.1966
396 S A -0.6788
397 G A -0.4247
398 S A 0.7584
399 F A 2.5275
400 V A 2.5500
401 T A 1.0878
402 T A 0.0635
403 G A -1.0082
404 P A -1.7328
405 K A -2.8701
406 R A -3.2266
407 S A -2.0402
408 R A -1.4888
409 I A 1.2615
410 G A 1.0195
411 F A 1.9873
412 S A 0.4048
413 S A -0.4758
414 G A -1.4821
415 K A -2.4445
416 P A -1.6660
417 D A -1.3373
418 I A 1.3520
419 P A 1.2820
420 V A 1.5636
421 S A -0.5661
422 E A -1.3651
423 G A -0.8159
424 I A 0.5371
425 R A -0.9567
426 A A -0.7270
427 T A -1.0197
428 D A -1.5716
429 F A -0.3628
430 E A -2.0936
431 E A -2.2801
432 S A -0.9464
433 L A 0.1996
434 R A -1.0576
435 F A 0.6999
436 Q A -0.7282
437 R A -1.0720
438 V A 1.2199
439 L A 0.9065
440 Q A -1.0706
441 G A -1.3087
442 Q A -1.7585
443 E A -1.2557
444 I A 1.6116
445 F A 2.3214
446 P A 1.3470
447 G A 1.5719
448 F A 2.5740
449 I A 2.1687
450 N A 0.2345
451 T A -0.1084
452 C A -0.0935
453 S A -1.0355
454 D A -2.0849
455 G A -1.6182
456 G A -1.2284
457 A A -0.5076
458 G A -1.0787
459 A A -1.9408
460 R A -3.6985
461 R A -4.4679
462 G A -3.1034
463 R A -2.2068
464 F A -0.0868
465 K A -1.2362
466 G A -1.2992
467 T A -1.0779
468 E A -1.1418
469 F A 0.4571
470 G A -0.7810
471 D A -1.4587
472 S A -0.4578
473 Y A 0.9677
474 G A 0.3560
475 F A 1.3026
476 H A -0.1657
477 K A -0.5550
478 V A 1.2838
479 L A 0.8895
480 Q A -0.6717
481 G A -1.4481
482 Q A -2.1490
483 E A -2.0958
484 T A -0.5155
485 V A 1.1392
486 P A 0.7097
487 A A 1.2139
488 Y A 1.9104
489 S A 1.1755
490 I A 1.8052
491 T A -0.0966
492 D A -2.2580
493 H A -3.0583
494 R A -3.5775
495 Q A -3.2037
496 Q A -2.8109
497 H A -1.7290
498 G A -0.4978
499 L A 0.7108
500 S A -0.4995
501 Q A -2.0588
502 R A -2.4331
503 N A -0.9247
504 I A 1.6175
505 W A 1.9280
506 C A 1.3788
507 G A 0.4100
508 P A 0.2083
509 F A 0.8744
510 Q A -0.5301
511 N A -0.5664
512 F A 0.9258
513 S A -0.0171
514 T A -0.1534
515 R A -0.5851
516 I A 1.7348
517 L A 1.8348
518 P A 0.7904
519 P A 0.4979
520 S A 0.5836
521 V A 1.4030
522 S A 0.4089
523 S A -0.0577
524 S A -0.3542
525 P A -0.3713
526 S A -0.1092
527 S A 0.7941
528 V A 2.7287
529 L A 3.1098
530 L A 2.3797
531 T A 0.3661
532 N A -1.3137
533 S A -1.5334
534 N A -1.8055
535 S A -1.2895
536 P A -1.3605
537 N A -2.0759
538 G A -1.7240
539 R A -1.8820
540 L A -0.8156
541 E A -2.6407
542 D A -3.4252
543 H A -4.0365
544 H A -4.2089
545 G A -2.9304
546 G A -2.0146
547 S A -1.4642
548 G A -1.4004
549 R A -2.1947
550 C A -0.6964
551 R A -0.2700
552 L A 2.1906
553 F A 2.5810
554 G A 1.4851
555 F A 2.4669
556 P A 1.5183
557 L A 1.1934
558 T A -0.4452
559 D A -2.4243
560 E A -2.6619
561 T A -1.3676
562 T A -0.0875
563 A A 0.9181
564 V A 1.7717
565 A A 0.8148
566 S A 0.2037
567 A A -0.0571
568 T A 0.2954
569 A A 0.9222
570 V A 1.8102
571 P A 1.4489
572 C A 1.4351
573 V A 1.1065
574 E A -1.3064
575 G A -1.6194
576 N A -1.8066
577 S A -0.8243
578 M A -0.2274
579 K A -1.4457
580 G A -1.0824
581 A A -0.6736
582 S A 0.1500
583 A A 0.5405
584 V A 1.1161
585 Q A -0.6820
586 S A -1.2337
587 N A -2.4356
588 H A -2.4548
589 H A -2.3166
590 H A -2.3008
591 S A -1.9432
592 Q A -2.5295
593 G A -2.2881
594 R A -2.4972
595 D A -1.5138
596 I A 1.0931
597 Y A 1.1868
598 A A 0.5908
599 M A 1.3868
600 R A 0.0352
601 D A -0.2374
602 M A 1.4122
603 L A 2.3831
604 L A 2.0376
605 D A 0.6042
606 I A 2.6991
607 A A 2.1264
608 L A 2.2307
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