Project name: f8febb1ba92d86f

Status: done

Started: 2025-02-21 07:04:26
Chain sequence(s) A: MEEEKVRVRLVFEDRRILSKYQKKQGLTRSWVVLNRKCHRTISEFSDHIFHTFSLCEACPHGLSLSMEGFVLPPFESSCVLKDKDIVCVKKKKESLLEIVGEDSDENVYNAIEVEERPQIRPGEMLLANEEFQKETGGYESESEEDELEEEAEEFVPEKKASKKRKTSSKNQSTKRKKCKLDTTEESPDERENTAVVSNVVKKKKKKKSLDVQSANNDEQNNDSTKPMTKSKRSSQQEESKEHNDLCQLSAETKKTPSRSARRKKAKRQWLREKTKLEKEELLQTQLVVAPSQKPVITIDHQATKEKHCETLENQQAEEVSDGFGDEVVPVEVRPGHIRFKPLAGTDEASLDSEPLVENVLWNGNMTKKKGQKWGTEKSGFSKRYAQDFNEDATTQPAEAETLANCPIDYEQLVAYTGSVKKGDVIAYRLIELTSSWTPEVSSFRVGKISYYDPDSKMVTLMPVQEFPIEKKTEEDDDFCMQPDTSLYKEDGSLEIEFSALLDVRSVKTSSSDSAEVAKSALPEPDQSAKKPKLSANKELQTPAKENGEVSPWEELSEALSAKKAALSQANNGWNKKGSSSGGSWSYKALRGSAMGPVMNYLRSQKEI
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
-5.4706
Maximal score value
3.0347
Average score
-1.2818
Total score value
-779.3253

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 -0.4939
2 E A -2.8335
3 E A -4.0558
4 E A -4.0100
5 K A -3.9126
6 V A 0.0000
7 R A -2.0371
8 V A 0.0000
9 R A -0.8431
10 L A 0.0000
11 V A -0.7485
12 F A 0.0000
13 E A -3.2177
14 D A -3.3605
15 R A -3.9728
16 R A -3.6178
17 I A 0.0000
18 L A 0.0000
19 S A -1.8985
20 K A -2.3819
21 Y A -0.7052
22 Q A -1.3004
23 K A -2.5077
24 K A -2.6262
25 Q A -2.4105
26 G A -1.8394
27 L A -0.9968
28 T A -2.0394
29 R A -1.9119
30 S A -0.4285
31 W A -0.0490
32 V A 0.0000
33 V A -0.6473
34 L A 0.0000
35 N A -2.1553
36 R A -2.4540
37 K A -2.5364
38 C A -0.7264
39 H A -1.5891
40 R A -2.1212
41 T A -0.7352
42 I A 0.0000
43 S A -0.8527
44 E A -1.4045
45 F A 0.0000
46 S A -1.0985
47 D A -1.8150
48 H A -1.2925
49 I A 0.0000
50 F A -0.8578
51 H A -1.2867
52 T A -0.7954
53 F A 0.0000
54 S A -0.7376
55 L A 0.0000
56 C A -0.7021
57 E A -1.7323
58 A A -1.4065
59 C A 0.0000
60 P A -1.1679
61 H A -2.1673
62 G A -1.7191
63 L A 0.0000
64 S A -1.0612
65 L A 0.0000
66 S A 0.0000
67 M A 0.5955
68 E A -0.9016
69 G A 0.1051
70 F A 2.1026
71 V A 2.2774
72 L A 0.0000
73 P A 0.8611
74 P A 0.5000
75 F A 1.1487
76 E A 0.0782
77 S A -0.3247
78 S A 0.0000
79 C A -0.3579
80 V A 0.2305
81 L A 0.0000
82 K A -2.5868
83 D A -2.9567
84 K A -2.6867
85 D A -1.6721
86 I A -0.1998
87 V A 0.0000
88 C A -0.2909
89 V A 0.0000
90 K A -2.4426
91 K A -3.4060
92 K A -3.6493
93 K A -3.6016
94 E A -2.7036
95 S A -0.7462
96 L A 1.3474
97 L A 1.8067
98 E A 0.6545
99 I A 2.5818
100 V A 1.6879
101 G A -0.8105
102 E A -2.8021
103 D A -3.3639
104 S A -3.1033
105 D A -3.3559
106 E A -2.9119
107 N A -1.8512
108 V A 0.7392
109 Y A 1.1632
110 N A -0.2140
111 A A 0.8540
112 I A 1.2598
113 E A -0.8653
114 V A 0.2008
115 E A -2.4488
116 E A -3.4539
117 R A -3.3652
118 P A -1.9769
119 Q A -1.5936
120 I A 0.1085
121 R A -1.4230
122 P A -1.2410
123 G A -1.2647
124 E A -1.2510
125 M A 1.2795
126 L A 2.4464
127 L A 2.1609
128 A A 0.0568
129 N A -2.1535
130 E A -3.0008
131 E A -2.3441
132 F A -0.5479
133 Q A -2.0872
134 K A -2.9439
135 E A -3.1929
136 T A -1.6249
137 G A -0.8466
138 G A -0.4529
139 Y A -0.0698
140 E A -1.6603
141 S A -1.8527
142 E A -2.7822
143 S A -2.4674
144 E A -3.5328
145 E A -4.1166
146 D A -3.7970
147 E A -2.7972
148 L A -1.0607
149 E A -2.6597
150 E A -3.3008
151 E A -3.5285
152 A A -2.6285
153 E A -2.6253
154 E A -1.3728
155 F A 1.4293
156 V A 1.8126
157 P A -0.2127
158 E A -2.7239
159 K A -3.4304
160 K A -2.8821
161 A A -1.7264
162 S A -1.8152
163 K A -2.9735
164 K A -3.8658
165 R A -3.9423
166 K A -3.1735
167 T A -1.4113
168 S A -1.1966
169 S A -1.5025
170 K A -2.7566
171 N A -2.8145
172 Q A -2.3264
173 S A -1.6896
174 T A -1.6451
175 K A -3.0699
176 R A -3.9351
177 K A -3.8515
178 K A -3.0693
179 C A -1.1532
180 K A -1.6175
181 L A -0.0112
182 D A -1.6409
183 T A -1.0628
184 T A -1.9624
185 E A -2.9729
186 E A -2.8764
187 S A -2.1573
188 P A -2.0248
189 D A -3.2597
190 E A -4.2145
191 R A -4.4648
192 E A -3.8245
193 N A -2.3800
194 T A -0.7168
195 A A 0.9367
196 V A 2.4887
197 V A 2.2478
198 S A 0.7575
199 N A 0.2420
200 V A 1.7532
201 V A 1.3693
202 K A -1.8639
203 K A -3.7109
204 K A -4.1571
205 K A -4.3233
206 K A -4.4150
207 K A -3.8811
208 K A -2.7198
209 S A -0.8496
210 L A 0.3991
211 D A -0.3400
212 V A 0.5241
213 Q A -0.5552
214 S A -0.7012
215 A A -1.2878
216 N A -2.2441
217 N A -3.1341
218 D A -3.8084
219 E A -3.7887
220 Q A -3.3267
221 N A -3.2277
222 N A -3.1023
223 D A -2.8151
224 S A -1.7901
225 T A -1.4666
226 K A -1.6857
227 P A -0.9464
228 M A 0.0806
229 T A -0.4477
230 K A -1.9740
231 S A -2.3910
232 K A -3.2085
233 R A -2.9427
234 S A -1.8162
235 S A -1.5647
236 Q A -2.4174
237 Q A -3.1837
238 E A -3.8899
239 E A -3.7659
240 S A -2.7125
241 K A -3.6520
242 E A -3.9115
243 H A -3.1176
244 N A -2.9214
245 D A -1.8360
246 L A 0.3166
247 C A 0.8446
248 Q A 0.2495
249 L A 0.7908
250 S A -0.2399
251 A A -0.9686
252 E A -2.3870
253 T A -2.2919
254 K A -3.0922
255 K A -2.9079
256 T A -1.9809
257 P A -2.3270
258 S A -2.4933
259 R A -3.6671
260 S A -3.1218
261 A A -3.5029
262 R A -5.0846
263 R A -5.4706
264 K A -5.4492
265 K A -5.1669
266 A A -3.9102
267 K A -4.4121
268 R A -4.5210
269 Q A -3.4810
270 W A -1.8458
271 L A -1.9275
272 R A -3.5861
273 E A -3.6496
274 K A -2.9952
275 T A -3.0407
276 K A -3.7407
277 L A -2.2416
278 E A -3.0391
279 K A -3.3167
280 E A -3.2183
281 E A -2.7574
282 L A -0.4612
283 L A 0.2712
284 Q A -0.6497
285 T A 0.1684
286 Q A 0.5930
287 L A 2.5272
288 V A 2.8990
289 V A 2.6024
290 A A 1.3292
291 P A -0.1746
292 S A -1.3125
293 Q A -2.0572
294 K A -1.8103
295 P A 0.0205
296 V A 2.2754
297 I A 3.0347
298 T A 1.7718
299 I A 1.4998
300 D A -1.6207
301 H A -2.0801
302 Q A -2.2374
303 A A -1.6127
304 T A -1.5999
305 K A -3.2388
306 E A -3.8090
307 K A -3.3187
308 H A -2.3343
309 C A -1.1025
310 E A -1.5097
311 T A -0.5512
312 L A -0.0535
313 E A -2.1659
314 N A -2.6893
315 Q A -2.8005
316 Q A -2.3897
317 A A -2.1747
318 E A -2.6147
319 E A -1.9622
320 V A -0.1104
321 S A -0.7048
322 D A -1.3678
323 G A -0.5687
324 F A 0.5217
325 G A -1.0474
326 D A -1.9861
327 E A -1.4863
328 V A 0.3468
329 V A 0.9059
330 P A 0.3726
331 V A 0.0960
332 E A -1.4741
333 V A -0.2932
334 R A -2.1240
335 P A -1.5820
336 G A -1.6683
337 H A -1.5668
338 I A -0.7429
339 R A -0.9868
340 F A 1.0622
341 K A -0.1748
342 P A -0.1972
343 L A 0.7135
344 A A -0.1361
345 G A -1.0853
346 T A -1.3514
347 D A -2.8956
348 E A -2.8637
349 A A -1.0174
350 S A -0.1424
351 L A 0.3234
352 D A -1.5726
353 S A -1.7400
354 E A -2.0106
355 P A -0.2186
356 L A 1.5394
357 V A 1.1539
358 E A -0.7247
359 N A -0.3764
360 V A 1.6715
361 L A 2.2949
362 W A 1.3560
363 N A -0.5552
364 G A -0.9303
365 N A -1.1891
366 M A -0.7554
367 T A -1.6013
368 K A -2.9694
369 K A -3.4985
370 K A -3.5475
371 G A -2.8047
372 Q A -2.8932
373 K A -2.5382
374 W A -0.8258
375 G A -1.2875
376 T A -1.6819
377 E A -2.9273
378 K A -2.6482
379 S A -1.2979
380 G A -0.5236
381 F A 0.7509
382 S A -0.6705
383 K A -2.0068
384 R A -2.0062
385 Y A -0.4687
386 A A -0.7344
387 Q A -1.5620
388 D A -1.7983
389 F A -0.4709
390 N A -2.2145
391 E A -3.0098
392 D A -2.7614
393 A A -1.5817
394 T A -1.0606
395 T A -0.9207
396 Q A -1.5550
397 P A -1.2395
398 A A -1.2420
399 E A -2.4023
400 A A -1.7390
401 E A -1.9439
402 T A -0.5315
403 L A 0.9532
404 A A 0.1753
405 N A -0.7610
406 C A 0.2379
407 P A -0.1390
408 I A -0.2457
409 D A -1.6262
410 Y A -1.1538
411 E A -2.2953
412 Q A -1.7356
413 L A -0.2867
414 V A 1.2040
415 A A 0.4724
416 Y A 0.4136
417 T A 0.0541
418 G A -0.8268
419 S A -0.8304
420 V A -1.2017
421 K A -2.6260
422 K A -2.5050
423 G A -1.8130
424 D A -2.1328
425 V A -1.2807
426 I A 0.0000
427 A A 0.0000
428 Y A 0.0000
429 R A 0.3558
430 L A 0.0000
431 I A 2.1241
432 E A 1.2360
433 L A 1.7289
434 T A 0.8068
435 S A 0.3176
436 S A 0.4938
437 W A 1.1947
438 T A 0.6617
439 P A 0.5448
440 E A 0.0485
441 V A 1.5268
442 S A 0.7742
443 S A -0.0408
444 F A -0.1453
445 R A -0.3420
446 V A 0.0000
447 G A 0.0000
448 K A -1.3346
449 I A 0.0000
450 S A -0.4253
451 Y A 0.3524
452 Y A -0.5982
453 D A -1.2297
454 P A -1.5268
455 D A -2.3236
456 S A -1.5937
457 K A -1.7338
458 M A -0.8560
459 V A 0.0000
460 T A -0.2257
461 L A 0.0000
462 M A -0.2711
463 P A -0.6918
464 V A -1.0458
465 Q A -1.8522
466 E A -2.4544
467 F A -1.3920
468 P A -1.5054
469 I A -1.6513
470 E A -3.0528
471 K A -3.6283
472 K A -3.8184
473 T A -3.3821
474 E A -4.1655
475 E A -4.3970
476 D A -4.1599
477 D A -3.5377
478 D A -2.0249
479 F A 0.7532
480 C A 1.2083
481 M A 0.7644
482 Q A -0.7220
483 P A -1.3706
484 D A -2.0708
485 T A -0.7760
486 S A -0.8424
487 L A 0.3565
488 Y A -1.1618
489 K A -2.8077
490 E A -3.1874
491 D A -2.9985
492 G A -1.7579
493 S A 0.0000
494 L A 0.0000
495 E A -0.9048
496 I A -0.4683
497 E A -0.9324
498 F A -0.3052
499 S A -0.2553
500 A A 0.1429
501 L A 0.0000
502 L A 0.7830
503 D A -0.3826
504 V A 0.2765
505 R A -0.0582
506 S A 0.1040
507 V A -0.3922
508 K A -1.5760
509 T A -1.0503
510 S A -1.1032
511 S A -1.1854
512 S A -1.5257
513 D A -2.2774
514 S A -1.4026
515 A A -1.0075
516 E A -1.3572
517 V A 0.4627
518 A A -0.4051
519 K A -1.5144
520 S A -0.4995
521 A A 0.3131
522 L A 0.9263
523 P A -0.3253
524 E A -2.0565
525 P A -2.1734
526 D A -2.9101
527 Q A -2.2250
528 S A -1.6599
529 A A -1.5532
530 K A -2.6616
531 K A -3.1074
532 P A -2.1145
533 K A -1.5001
534 L A 0.5936
535 S A -0.0167
536 A A -0.6703
537 N A -2.5206
538 K A -3.0960
539 E A -2.4250
540 L A -0.6187
541 Q A -1.0879
542 T A -0.6543
543 P A -0.8803
544 A A -1.4055
545 K A -2.9818
546 E A -3.4289
547 N A -2.9012
548 G A -1.8510
549 E A -1.5013
550 V A -0.1069
551 S A -0.2911
552 P A -0.3429
553 W A 0.0623
554 E A -1.7473
555 E A -1.8660
556 L A 0.0747
557 S A -1.0167
558 E A -2.3925
559 A A -1.0143
560 L A -0.2904
561 S A -1.1181
562 A A -1.0571
563 K A -1.9846
564 K A -1.9941
565 A A -1.1107
566 A A -0.7919
567 L A -0.4159
568 S A -1.3507
569 Q A -1.9873
570 A A -1.1653
571 N A -1.8961
572 N A -2.1976
573 G A -1.8188
574 W A -1.0849
575 N A -2.4974
576 K A -3.0288
577 K A -2.9156
578 G A -1.8907
579 S A -1.1940
580 S A -0.7002
581 S A -0.7353
582 G A -0.7827
583 G A -0.6002
584 S A 0.0840
585 W A 1.0505
586 S A 0.5706
587 Y A 0.7656
588 K A -1.1296
589 A A -0.2102
590 L A 0.6851
591 R A -1.5943
592 G A -1.1059
593 S A -0.2585
594 A A 0.4405
595 M A 1.2183
596 G A 0.2239
597 P A 0.2585
598 V A 1.2433
599 M A 0.5418
600 N A -1.0967
601 Y A 0.0936
602 L A -0.7369
603 R A -2.0781
604 S A -1.6188
605 Q A -2.4375
606 K A -2.8882
607 E A -2.1148
608 I A 0.1117
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