Project name: bf12e23fdc888de

Status: done

Started: 2025-02-21 07:21:10
Chain sequence(s) A: MNQYGREQQDTGLVGSGTGHRDEYGNPRQEGIMDKVKNAVGMGPSSGTGYNNQPGYDNYGNPRQEGLVDKAKDAVGMGPSLGTGYNNQPGYDSYGNREGIVDRAKDAVGMGPNSGTGYNNQPGYDNYGDRRHEGLADRAKDAVGMGPNSGYNHQPGYDNYGNREGVVDKAKDAVGMGPNSGTGYNNQPGYDSYGTRRQEGLVDRAKDAVGMGPNSGTGYNNQPGYDNYGNPRREGVVDRAKDAVGMGPNSGYNNQPGYDNYGNREGIVDKAKDAVGVGPHSGTGYHNQPSYDNYGNPRQEGIVDRAKDAVGMGPNSGTGYNNQSDYDSYGNPRHEGMLDKAKDDFDMGPNSGTGYNNRPGYDTYGDRKHEGIGDKVRDAIGTGPNSGYDSRTPTGTDAYVHGNHPPGMQDRITGVNEPSILGGRENVDRHGFGHDGRQHHGLLDNVTLQSGHIPETMVGGRRVEPGYDMTKSAGHHLTDLGHHGNDSGVTGLGHHDTDYDERRGKGFEDPIDNKTGLGSDYDTTETGSGYGATDTGAAPHKKGIITKIKEKLHH
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.                                          (00:00:05)
Show buried residues

Minimal score value
-4.3815
Maximal score value
2.5084
Average score
-1.3275
Total score value
-735.4426

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 0.1036
2 N A -1.1069
3 Q A -1.1308
4 Y A -0.1575
5 G A -1.2623
6 R A -3.1683
7 E A -3.9885
8 Q A -3.5530
9 Q A -3.3523
10 D A -3.0027
11 T A -1.2349
12 G A 0.2425
13 L A 2.0504
14 V A 2.0764
15 G A 0.4453
16 S A -0.3192
17 G A -0.7709
18 T A -1.1393
19 G A -2.0972
20 H A -3.1194
21 R A -4.0576
22 D A -3.0667
23 E A -2.2576
24 Y A -0.5585
25 G A -2.0232
26 N A -3.0652
27 P A -3.5920
28 R A -4.0358
29 Q A -2.7926
30 E A -2.7999
31 G A -1.6719
32 I A -0.3030
33 M A -0.9298
34 D A -2.7137
35 K A -2.4399
36 V A -1.3425
37 K A -2.2039
38 N A -2.1947
39 A A -0.6357
40 V A 0.7922
41 G A 0.0416
42 M A 0.6233
43 G A 0.0836
44 P A -0.1515
45 S A -0.5914
46 S A -0.2974
47 G A -0.5152
48 T A -0.7544
49 G A -0.5328
50 Y A -0.0205
51 N A -2.0504
52 N A -1.8886
53 Q A -1.5621
54 P A -1.4365
55 G A -1.4126
56 Y A -0.1777
57 D A -1.6151
58 N A -1.7538
59 Y A -0.2307
60 G A -1.3204
61 N A -2.3201
62 P A -2.4053
63 R A -3.3812
64 Q A -2.8167
65 E A -2.6995
66 G A -1.7159
67 L A -0.5270
68 V A -0.7035
69 D A -2.8316
70 K A -2.6944
71 A A -1.7303
72 K A -2.6142
73 D A -2.7570
74 A A -0.9938
75 V A 0.5143
76 G A -0.1892
77 M A 0.5143
78 G A 0.3879
79 P A 0.1932
80 S A 0.3438
81 L A 1.0555
82 G A 0.2207
83 T A -0.3368
84 G A -0.1637
85 Y A 0.0700
86 N A -1.7240
87 N A -2.4893
88 Q A -1.7384
89 P A -1.5473
90 G A -0.7369
91 Y A 0.1681
92 D A -1.3323
93 S A -0.3850
94 Y A 0.1839
95 G A -1.2851
96 N A -2.2904
97 R A -2.6217
98 E A -2.8670
99 G A -1.5759
100 I A -0.0106
101 V A -0.8383
102 D A -2.9073
103 R A -2.7466
104 A A -1.6800
105 K A -2.6124
106 D A -2.8666
107 A A -1.0932
108 V A 0.4591
109 G A -0.2465
110 M A 0.2829
111 G A -0.2618
112 P A -0.7594
113 N A -1.6936
114 S A -1.2086
115 G A -0.9077
116 T A -1.1686
117 G A -0.9080
118 Y A -0.1721
119 N A -2.1361
120 N A -2.5644
121 Q A -1.8485
122 P A -1.4937
123 G A -1.4664
124 Y A -0.2917
125 D A -1.7437
126 N A -2.2730
127 Y A -0.4678
128 G A -1.9338
129 D A -3.5678
130 R A -4.1724
131 R A -4.2658
132 H A -3.3761
133 E A -3.0592
134 G A -2.0295
135 L A -0.9277
136 A A -1.8338
137 D A -3.4952
138 R A -3.1484
139 A A -2.1185
140 K A -3.0651
141 D A -2.9144
142 A A -0.8874
143 V A 0.5008
144 G A -0.0784
145 M A 0.5476
146 G A -0.2579
147 P A -0.7762
148 N A -1.4478
149 S A -0.9894
150 G A -0.7389
151 Y A -0.2414
152 N A -1.9093
153 H A -2.4045
154 Q A -2.1345
155 P A -1.9139
156 G A -1.1954
157 Y A -0.1383
158 D A -1.8300
159 N A -1.4635
160 Y A -0.4082
161 G A -1.6141
162 N A -2.5372
163 R A -2.7158
164 E A -2.6831
165 G A -1.5360
166 V A 0.1514
167 V A -0.0693
168 D A -2.5318
169 K A -2.5655
170 A A -1.6704
171 K A -2.6415
172 D A -2.8045
173 A A -1.0121
174 V A 0.5162
175 G A -0.0871
176 M A 0.5996
177 G A -0.2486
178 P A -0.6906
179 N A -1.6926
180 S A -1.1321
181 G A -0.8480
182 T A -1.1154
183 G A -1.0873
184 Y A -0.3155
185 N A -2.1009
186 N A -2.9260
187 Q A -2.2297
188 P A -1.8999
189 G A -1.3561
190 Y A 0.0275
191 D A -1.1157
192 S A -0.8091
193 Y A 0.4285
194 G A -0.7882
195 T A -1.5402
196 R A -3.3352
197 R A -3.8085
198 Q A -3.0371
199 E A -2.9095
200 G A -1.8028
201 L A -0.4073
202 V A -0.6045
203 D A -2.8696
204 R A -2.7565
205 A A -1.8785
206 K A -2.6473
207 D A -2.7392
208 A A -0.9176
209 V A 0.4118
210 G A -0.1864
211 M A 0.3849
212 G A -0.1972
213 P A -0.7638
214 N A -1.6952
215 S A -1.1394
216 G A -0.8677
217 T A -1.1155
218 G A -1.1569
219 Y A -0.3337
220 N A -2.1205
221 N A -3.0167
222 Q A -2.0314
223 P A -1.8558
224 G A -1.6523
225 Y A -0.2501
226 D A -1.8720
227 N A -1.6025
228 Y A -0.1536
229 G A -1.3351
230 N A -2.5460
231 P A -2.5594
232 R A -3.6380
233 R A -3.4358
234 E A -2.8037
235 G A -1.4555
236 V A 0.3401
237 V A 0.2390
238 D A -2.4087
239 R A -2.8154
240 A A -1.4291
241 K A -2.6596
242 D A -2.8255
243 A A -0.7748
244 V A 0.6488
245 G A -0.0576
246 M A 0.5878
247 G A -0.3368
248 P A -0.6106
249 N A -1.4157
250 S A -1.1878
251 G A -1.0324
252 Y A -0.8044
253 N A -1.8060
254 N A -2.7361
255 Q A -2.1434
256 P A -1.9538
257 G A -1.2761
258 Y A -0.5018
259 D A -2.2413
260 N A -1.4733
261 Y A -0.4025
262 G A -1.6337
263 N A -2.7088
264 R A -3.0595
265 E A -3.1717
266 G A -2.3489
267 I A -1.4913
268 V A -1.6728
269 D A -3.2725
270 K A -2.8500
271 A A -1.9706
272 K A -2.6604
273 D A -2.5272
274 A A -0.7774
275 V A 0.5983
276 G A 0.1627
277 V A 1.2003
278 G A 0.2470
279 P A -0.4083
280 H A -1.3215
281 S A -0.9875
282 G A -0.8708
283 T A -0.9223
284 G A -0.9442
285 Y A -0.5812
286 H A -1.6521
287 N A -2.2840
288 Q A -1.7660
289 P A -1.6525
290 S A -1.1972
291 Y A 0.0762
292 D A -1.1456
293 N A -1.1701
294 Y A 0.0360
295 G A -1.1757
296 N A -2.1305
297 P A -2.3261
298 R A -3.3617
299 Q A -2.7389
300 E A -2.7869
301 G A -1.6270
302 I A -0.4381
303 V A -0.5339
304 D A -2.8639
305 R A -2.8051
306 A A -1.5724
307 K A -2.5633
308 D A -2.7381
309 A A -1.0936
310 V A 0.2332
311 G A -0.3087
312 M A 0.3013
313 G A -0.1766
314 P A -0.6858
315 N A -1.3195
316 S A -1.0386
317 G A -1.2425
318 T A -1.2088
319 G A -0.9985
320 Y A -1.3664
321 N A -2.0934
322 N A -2.3521
323 Q A -1.6622
324 S A -1.8053
325 D A -2.4671
326 Y A -0.7259
327 D A -0.8417
328 S A -0.6749
329 Y A 0.2890
330 G A -0.8351
331 N A -1.9580
332 P A -2.2630
333 R A -3.3122
334 H A -2.6859
335 E A -2.7207
336 G A -1.8136
337 M A -0.9408
338 L A -0.5669
339 D A -2.7600
340 K A -2.4604
341 A A -1.9274
342 K A -2.8815
343 D A -3.1667
344 D A -2.2332
345 F A -0.5949
346 D A -1.6787
347 M A -0.6639
348 G A -0.7665
349 P A -0.8378
350 N A -1.3411
351 S A -1.2608
352 G A -1.4383
353 T A -1.6827
354 G A -1.8821
355 Y A -1.7314
356 N A -2.6886
357 N A -3.2080
358 R A -2.7828
359 P A -1.5852
360 G A -1.4298
361 Y A -0.4313
362 D A -2.2840
363 T A -0.7551
364 Y A 0.1082
365 G A -1.6439
366 D A -3.5873
367 R A -4.1939
368 K A -4.3815
369 H A -3.3965
370 E A -2.8910
371 G A -1.3831
372 I A -0.1028
373 G A -1.4565
374 D A -2.9005
375 K A -2.3092
376 V A -1.0188
377 R A -2.4135
378 D A -2.7491
379 A A -1.2873
380 I A 0.3857
381 G A -0.6223
382 T A -0.9626
383 G A -0.7200
384 P A -0.7768
385 N A -1.3125
386 S A -0.7297
387 G A -0.9114
388 Y A -0.3345
389 D A -1.9594
390 S A -1.6736
391 R A -2.3813
392 T A -1.4920
393 P A -0.9188
394 T A -0.8903
395 G A -1.0682
396 T A -1.0516
397 D A -1.3373
398 A A 0.1029
399 Y A 1.3933
400 V A 1.4768
401 H A -0.3664
402 G A -1.2240
403 N A -2.0932
404 H A -2.0681
405 P A -1.2887
406 P A -0.9185
407 G A -0.5078
408 M A -0.4599
409 Q A -2.0883
410 D A -2.5964
411 R A -1.9503
412 I A 0.7443
413 T A 0.2395
414 G A 0.3155
415 V A 0.6426
416 N A -1.5090
417 E A -2.0626
418 P A -1.0493
419 S A 0.3611
420 I A 2.3008
421 L A 2.1288
422 G A 0.1531
423 G A -1.6607
424 R A -3.2688
425 E A -3.2133
426 N A -2.3927
427 V A -0.8926
428 D A -2.3984
429 R A -2.8668
430 H A -1.9557
431 G A -0.5617
432 F A 0.8230
433 G A -0.7130
434 H A -1.7661
435 D A -3.0652
436 G A -2.8422
437 R A -3.3159
438 Q A -2.9559
439 H A -2.6386
440 H A -1.5938
441 G A -0.1686
442 L A 1.4459
443 L A 0.9334
444 D A -0.8751
445 N A -0.7063
446 V A 1.0230
447 T A 1.0675
448 L A 1.1541
449 Q A -0.6651
450 S A -1.0022
451 G A -0.9501
452 H A -0.3240
453 I A 0.8603
454 P A -0.3176
455 E A -1.2947
456 T A -0.0036
457 M A 1.3461
458 V A 1.7325
459 G A 0.0596
460 G A -1.3557
461 R A -2.5499
462 R A -2.3971
463 V A -0.5802
464 E A -1.6506
465 P A -1.0205
466 G A -0.6355
467 Y A 0.4144
468 D A -0.9422
469 M A 0.0261
470 T A -0.7332
471 K A -1.8143
472 S A -1.1166
473 A A -1.0114
474 G A -1.2186
475 H A -1.3543
476 H A -0.9633
477 L A 0.4076
478 T A -0.0637
479 D A -0.9958
480 L A 0.3782
481 G A -0.9683
482 H A -1.6352
483 H A -2.3193
484 G A -2.3709
485 N A -2.7127
486 D A -2.6714
487 S A -1.2771
488 G A -0.3599
489 V A 1.1829
490 T A 0.7546
491 G A 0.4772
492 L A 0.8773
493 G A -0.4711
494 H A -1.7393
495 H A -2.4776
496 D A -2.7726
497 T A -1.9791
498 D A -2.1446
499 Y A -1.4113
500 D A -2.8444
501 E A -3.9932
502 R A -4.0276
503 R A -3.9136
504 G A -3.1176
505 K A -2.3210
506 G A -1.3118
507 F A -0.0668
508 E A -1.8099
509 D A -2.1391
510 P A -1.0223
511 I A 0.0895
512 D A -2.0305
513 N A -2.6148
514 K A -2.8575
515 T A -1.1255
516 G A -0.2198
517 L A 1.0047
518 G A -0.1772
519 S A -0.9304
520 D A -1.7916
521 Y A -0.5241
522 D A -1.8706
523 T A -1.0652
524 T A -1.3385
525 E A -2.2548
526 T A -1.3722
527 G A -1.2499
528 S A -0.5951
529 G A -0.1523
530 Y A 0.8257
531 G A -0.1358
532 A A -0.4079
533 T A -1.0267
534 D A -2.0009
535 T A -1.2287
536 G A -0.8559
537 A A -0.2208
538 A A -0.5705
539 P A -1.2378
540 H A -2.4046
541 K A -2.9537
542 K A -2.5745
543 G A -0.3389
544 I A 2.1838
545 I A 2.5084
546 T A 1.0137
547 K A -0.7013
548 I A -0.2514
549 K A -2.3770
550 E A -2.8750
551 K A -2.4481
552 L A -0.4370
553 H A -1.4302
554 H A -1.3338
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