Project name: T12501140010

Status: done

Started: 2026-08-18 04:34:07
Chain sequence(s) A: MVNEVIDINEAVRAYIAQIEGLRAEIGRLDATIATLRQSLATLKSLKTLGEGKTVLVPVGAIAQVECKVEKMDKVVVSVGQNISAELEYEEALKYIEDEIKKLLTFRLVLEQAIAELYAKIEDLIAEAQQTSEEEKAEEEENEEKAEASWSHPQFEKGAGGGGSGGGGSPPRALLLVDLQNDFCAGGALAVPEGDSTVDVANRLIDWCQSRGEAVIASQDWHPANHGSFASQHGVEPYTPGQLDGLPQTFWPDHCVQNSEGAQLHPLLHQKAIAAVFHKGENPLVDSYSAFFDNGRRQKTSLDDWLRDHEIDELIVMGLATDYCVKFTVLDALQLGYKVNVITDGCRGVNIQPQDSAHAFMEMSAAGATLYTLADWEETQGGGGSGGGGSVNEVIDINEAVRAYIAQIEGLRAEIGRLDATIATLRQSLATLKSLKTLGEGKTVLVPVGAIAQVECKVEKMDKVVVSVGQNISAELEYEEALKYIEDEIKKLLTFRLVLEQAIAELYAKIEDLIAEAQQTSEEEKAEEEENEEKAEASWSHPQFEKGA
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:03)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:19:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:30)
Show buried residues

Minimal score value
-6.9574
Maximal score value
2.1273
Average score
-1.2804
Total score value
-701.6482

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 1.3821
2 V A 1.8408
3 N A -0.1751
4 E A -0.5594
5 V A 1.4465
6 I A 0.9034
7 D A -1.8706
8 I A -1.2167
9 N A -2.2030
10 E A -3.0667
11 A A -1.7408
12 V A -1.6052
13 R A -2.5272
14 A A -1.1696
15 Y A -0.6760
16 I A -0.2865
17 A A -1.0770
18 Q A -1.3949
19 I A 0.0000
20 E A -2.2939
21 G A -1.7465
22 L A -1.8585
23 R A -2.5071
24 A A -2.1695
25 E A -2.4629
26 I A 0.0000
27 G A -2.0808
28 R A -2.6962
29 L A -1.4035
30 D A -1.5142
31 A A -1.1285
32 T A -1.0515
33 I A 0.0000
34 A A -1.2114
35 T A -1.0431
36 L A 0.0000
37 R A -2.3061
38 Q A -2.1651
39 S A 0.0000
40 L A 0.0000
41 A A -1.3547
42 T A -1.2325
43 L A 0.0000
44 K A -1.8453
45 S A -0.9553
46 L A -0.9726
47 K A -1.7612
48 T A -0.7858
49 L A -0.4522
50 G A -1.5146
51 E A -3.0170
52 G A -2.2433
53 K A -1.9851
54 T A -1.2751
55 V A -0.1016
56 L A 0.5083
57 V A 0.0000
58 P A -0.2700
59 V A 0.0000
60 G A -0.9704
61 A A -0.4762
62 I A 0.1523
63 A A 0.0000
64 Q A -0.6451
65 V A 0.0000
66 E A -1.3696
67 C A 0.0000
68 K A -2.3586
69 V A 0.0000
70 E A -2.9063
71 K A -3.1467
72 M A 0.0000
73 D A -2.8352
74 K A -3.2771
75 V A 0.0000
76 V A -1.0383
77 V A 0.0000
78 S A 0.0911
79 V A 0.5901
80 G A -0.1068
81 Q A -1.1899
82 N A -0.8973
83 I A 1.0418
84 S A 0.1266
85 A A -0.3794
86 E A -2.3334
87 L A -2.2298
88 E A -2.9992
89 Y A 0.0000
90 E A -3.0413
91 E A -3.4986
92 A A 0.0000
93 L A -2.3469
94 K A -3.2495
95 Y A -2.0902
96 I A 0.0000
97 E A -3.4263
98 D A -3.5994
99 E A -2.6468
100 I A 0.0000
101 K A -3.0901
102 K A -2.5866
103 L A -0.6614
104 L A 0.0287
105 T A 0.5075
106 F A 1.2516
107 R A 0.2645
108 L A 1.8803
109 V A 2.1273
110 L A 0.0000
111 E A -0.6961
112 Q A -0.8703
113 A A -0.6516
114 I A -0.7402
115 A A -0.9530
116 E A -2.2022
117 L A -1.0576
118 Y A -0.3216
119 A A -1.4918
120 K A -2.0754
121 I A -1.5166
122 E A -2.6597
123 D A -3.0038
124 L A -1.6349
125 I A -1.3574
126 A A -2.2182
127 E A -2.8727
128 A A -1.9500
129 Q A -3.0239
130 Q A -3.6755
131 T A -3.2180
132 S A -3.5909
133 E A -5.0946
134 E A -5.3333
135 E A -5.6446
136 K A -5.9107
137 A A -5.2200
138 E A -6.3170
139 E A -6.9574
140 E A -6.5622
141 E A -6.3266
142 N A -6.2859
143 E A -6.2315
144 E A -5.8460
145 K A -4.9445
146 A A -3.4931
147 E A -3.3053
148 A A -1.9034
149 S A -0.9746
150 W A 0.0039
151 S A -0.6197
152 H A -1.0700
153 P A -0.8706
154 Q A -1.2262
155 F A -0.0762
156 E A -2.0770
157 K A -2.5781
158 G A -1.6004
159 A A -0.9064
160 G A -1.0595
161 G A -1.0384
162 G A -1.1385
163 G A -1.0882
164 S A -1.0394
165 G A -1.1667
166 G A -1.2162
167 G A -1.2015
168 G A -1.0849
169 S A -0.8209
170 P A -1.2585
171 P A -1.5591
172 R A -1.5088
173 A A 0.0000
174 L A 0.0000
175 L A 0.0000
176 L A 0.0000
177 V A 0.0000
178 D A 0.0000
179 L A 0.0000
180 Q A 0.0000
181 N A -1.1391
182 D A 0.0000
183 F A 0.0000
184 C A 0.0000
185 A A -0.7415
186 G A -0.5396
187 G A -0.6225
188 A A -0.4123
189 L A 0.0000
190 A A -0.4642
191 V A 0.0000
192 P A -1.1092
193 E A -1.8021
194 G A 0.0000
195 D A -1.3999
196 S A -1.4698
197 T A 0.0000
198 V A 0.0000
199 D A -2.1624
200 V A -1.4924
201 A A 0.0000
202 N A -1.9210
203 R A -3.0354
204 L A 0.0000
205 I A 0.0000
206 D A -2.8317
207 W A 0.0000
208 C A 0.0000
209 Q A -2.3093
210 S A -1.7129
211 R A -1.8894
212 G A -1.6337
213 E A -1.2985
214 A A -0.6071
215 V A 0.0000
216 I A 0.0000
217 A A 0.0000
218 S A 0.0000
219 Q A 0.0000
220 D A 0.0000
221 W A -0.9479
222 H A 0.0000
223 P A -1.2310
224 A A -1.1609
225 N A -1.5597
226 H A 0.0000
227 G A 0.0000
228 S A 0.0000
229 F A 0.0000
230 A A 0.0000
231 S A -1.7285
232 Q A -1.9938
233 H A -1.4551
234 G A -1.2667
235 V A -1.0090
236 E A -1.7380
237 P A -0.9354
238 Y A 0.3149
239 T A -0.4428
240 P A -0.6335
241 G A -0.8830
242 Q A -1.8313
243 L A 0.0000
244 D A -1.5157
245 G A -1.4684
246 L A -1.0581
247 P A -1.0713
248 Q A 0.0000
249 T A -0.2637
250 F A 0.0000
251 W A 0.0000
252 P A -0.9061
253 D A -1.3627
254 H A 0.0000
255 C A 0.0000
256 V A -0.9964
257 Q A -1.3697
258 N A -1.8656
259 S A -1.6856
260 E A -2.4243
261 G A -1.5924
262 A A 0.0000
263 Q A -1.5449
264 L A 0.0000
265 H A 0.0000
266 P A 0.1860
267 L A 0.8788
268 L A 0.0000
269 H A -1.4234
270 Q A -1.1928
271 K A -1.9952
272 A A -1.3921
273 I A -0.4185
274 A A 0.0050
275 A A 0.4599
276 V A 0.7557
277 F A 0.0000
278 H A -0.7815
279 K A 0.0000
280 G A 0.0000
281 E A -2.0057
282 N A -1.2377
283 P A -0.4419
284 L A 0.5135
285 V A 0.0000
286 D A 0.0000
287 S A 0.0000
288 Y A 0.3190
289 S A 0.0000
290 A A 0.0000
291 F A 0.0000
292 F A -1.5882
293 D A 0.0000
294 N A -1.2216
295 G A -2.0063
296 R A -2.8521
297 R A -3.1312
298 Q A -2.9906
299 K A -2.9999
300 T A -1.4537
301 S A -1.1893
302 L A 0.0000
303 D A 0.0000
304 D A -3.3370
305 W A -2.3674
306 L A 0.0000
307 R A -4.4676
308 D A -3.9731
309 H A -3.4630
310 E A -4.0530
311 I A 0.0000
312 D A -3.2400
313 E A 0.0000
314 L A 0.0000
315 I A 0.0000
316 V A 0.0000
317 M A 0.0000
318 G A 0.0000
319 L A 0.0000
320 A A 0.0000
321 T A 0.0000
322 D A 0.0000
323 Y A 0.3388
324 C A 0.0000
325 V A 0.0000
326 K A 0.1100
327 F A 0.9256
328 T A 0.0000
329 V A 0.0000
330 L A 0.0151
331 D A 0.0000
332 A A 0.0000
333 L A -0.7178
334 Q A -1.2317
335 L A -0.7447
336 G A -1.3223
337 Y A 0.0000
338 K A -2.3231
339 V A 0.0000
340 N A 0.0000
341 V A 0.0000
342 I A 0.0000
343 T A -0.0766
344 D A -0.4919
345 G A 0.0000
346 C A 0.0000
347 R A -1.0073
348 G A 0.0000
349 V A -0.1165
350 N A -0.6190
351 I A 0.3956
352 Q A -1.2225
353 P A -1.3010
354 Q A -1.8361
355 D A -1.2358
356 S A -0.9676
357 A A -0.8652
358 H A -1.4120
359 A A 0.0000
360 F A -0.0494
361 M A 0.0500
362 E A -1.3663
363 M A 0.0000
364 S A -0.2502
365 A A -0.3297
366 A A -0.5018
367 G A -0.9317
368 A A 0.0000
369 T A -0.0645
370 L A 0.5740
371 Y A 0.0311
372 T A -0.6659
373 L A -0.8494
374 A A -1.1623
375 D A -1.9006
376 W A 0.0000
377 E A -2.5960
378 E A -2.9026
379 T A -1.8656
380 Q A -1.7512
381 G A -1.8966
382 G A -1.6161
383 G A -1.1669
384 G A -1.0985
385 S A -0.9475
386 G A -1.1613
387 G A -1.1584
388 G A -0.8676
389 G A -0.7387
390 S A -0.3113
391 V A 0.6423
392 N A -0.7126
393 E A -0.9368
394 V A 0.9699
395 I A 0.2795
396 D A -1.6748
397 I A -1.2048
398 N A -2.6133
399 E A -3.2294
400 A A -1.7106
401 V A -1.6580
402 R A -2.3267
403 A A -1.2025
404 Y A -0.9400
405 I A -0.2157
406 A A -1.2216
407 Q A -1.7625
408 I A 0.0000
409 E A -2.7750
410 G A -2.2925
411 L A -2.4289
412 R A -3.5657
413 A A -2.7262
414 E A -2.9351
415 I A 0.0000
416 G A -2.3899
417 R A -2.9093
418 L A 0.0000
419 D A -1.6286
420 A A -1.3761
421 T A -1.1428
422 I A 0.0000
423 A A -1.3526
424 T A -1.1713
425 L A 0.0000
426 R A -2.6412
427 Q A -2.3153
428 S A 0.0000
429 L A 0.0000
430 A A -1.4219
431 T A -1.2606
432 L A 0.0000
433 K A -1.8172
434 S A -1.0029
435 L A -1.1192
436 K A -1.9297
437 T A -0.9342
438 L A -0.8433
439 G A -1.7751
440 E A -3.3237
441 G A -2.4380
442 K A -2.3527
443 T A -1.5216
444 V A -0.2856
445 L A 0.3340
446 V A 0.0000
447 P A -0.3181
448 V A 0.0000
449 G A -0.8810
450 A A -0.4141
451 I A 0.1828
452 A A 0.0000
453 Q A -0.7284
454 V A 0.0000
455 E A -1.7536
456 C A 0.0000
457 K A -2.4248
458 V A 0.0000
459 E A -2.8222
460 K A -2.9894
461 M A 0.0000
462 D A -3.5667
463 K A -3.5567
464 V A 0.0000
465 V A -0.9445
466 V A 0.0000
467 S A 0.0951
468 V A 0.6044
469 G A -0.0985
470 Q A -1.1831
471 N A -0.8921
472 I A 1.0482
473 S A 0.1312
474 A A -0.3435
475 E A -2.2842
476 L A -2.3182
477 E A -3.3037
478 Y A 0.0000
479 E A -3.6338
480 E A -3.7551
481 A A 0.0000
482 L A -2.4184
483 K A -3.2584
484 Y A -1.8872
485 I A 0.0000
486 E A -3.1645
487 D A -2.5703
488 E A -2.1780
489 I A 0.0000
490 K A -2.7628
491 K A -2.3354
492 L A -0.5508
493 L A 0.0592
494 T A 0.3833
495 F A 1.2328
496 R A 0.1079
497 L A 1.8186
498 V A 2.0758
499 L A 0.0000
500 E A -1.0020
501 Q A -0.9838
502 A A -0.8035
503 I A 0.0000
504 A A -1.1281
505 E A -2.3092
506 L A -1.2185
507 Y A -0.4912
508 A A -1.6219
509 K A -2.1776
510 I A -1.5888
511 E A -2.7046
512 D A -3.0446
513 L A -1.9022
514 I A -1.3477
515 A A -2.1903
516 E A -2.9272
517 A A -2.2012
518 Q A -2.9344
519 Q A -3.7293
520 T A -3.3332
521 S A -3.7620
522 E A -5.1499
523 E A -5.3948
524 E A -5.7622
525 K A -5.9508
526 A A -5.3613
527 E A -6.5075
528 E A -6.9407
529 E A -6.7031
530 E A -6.6760
531 N A -6.1545
532 E A -6.2044
533 E A -6.0376
534 K A -4.9090
535 A A -3.4725
536 E A -3.4791
537 A A -2.2449
538 S A -1.3905
539 W A -0.1608
540 S A -0.7707
541 H A -0.9987
542 P A -0.8570
543 Q A -1.4035
544 F A -0.2506
545 E A -2.2043
546 K A -2.4113
547 G A -1.5369
548 A A -0.7691
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