Project name: a1b2cfdbce8ae49

Status: done

Started: 2025-03-16 08:22:07
Chain sequence(s) A: CDLPETHSLDNRRTLMLLAQMSRISPSSCLMDRHDFGFPQEEFDGNQFQKAPAISVLHELIQQIFNLFTTKDSSAAWDEDLLDKFCTELYQQLNDLEACVMQEERVGETPLMNADSILAVKKYFRRITLYLTEKKYSPCAWEVVRAEIMRSLSLSTNLQERLRRKEEAAAKEAAAKEAAAKRTSWKRVTSGEDVVLLPAPAGPEERTRAHKLLWAAEPLDACGPLRPSWVALWPPRRVLETVVDAACMRAPEPLAIAYSPPFPAGDEGLYSELAWRDRVAVVNESLVIYGALETDSGLYTLSVVGLSDEARQVASVVLVVEPAPVPTPTPDDYDEEDDAGVSERTPVNVPPPTPPRRPPVAPPTHPRVIPEVSHVRGVTVHMETPEAILFAPGETFGTNVSIHAIAHDDGPYAMDVVWMRFDVPSSCAEMRIYEACLYHPQLPECLSPADAPCAVSSWAYRLAVRSYAGCSRTTPPPRCFAEARMEPVPGLAWLASTVNLEFQHASPQHAGLYLCVVYVDDHIHAWGHMTISTAAQYRNAVVEQHLPQRQPEPVEPTRPHVRAGSSGGGGSHHHHHHHH
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimization                                          (00:00:01)
[INFO]       Analysis: Starting Aggrescan4D on folded.pdb                                          (00:06:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:47)
Show buried residues

Minimal score value
-4.7271
Maximal score value
1.4689
Average score
-0.7166
Total score value
-414.8849

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 C A -0.6618
2 D A -2.2691
3 L A 0.0000
4 P A -1.3284
5 E A -1.9348
6 T A -0.7438
7 H A 0.0000
8 S A -0.2625
9 L A 0.3072
10 D A 0.0000
11 N A 0.0000
12 R A 0.0000
13 R A -0.6454
14 T A 0.0000
15 L A 0.0000
16 M A -0.2065
17 L A -0.6554
18 L A 0.0000
19 A A -0.5620
20 Q A -1.2233
21 M A 0.0000
22 S A -1.3555
23 R A -2.0316
24 I A -0.5908
25 S A -0.4304
26 P A 0.0000
27 S A -0.1068
28 S A -0.0025
29 C A 0.0000
30 L A 0.3367
31 M A 0.7517
32 D A -0.2538
33 R A -0.7688
34 H A -1.0313
35 D A -1.2480
36 F A 0.0000
37 G A -0.8134
38 F A 0.0000
39 P A 0.0000
40 Q A -0.7439
41 E A -1.0700
42 E A 0.0000
43 F A 0.0000
44 D A 0.0000
45 G A 0.0000
46 N A -1.5563
47 Q A -1.0694
48 F A -0.7336
49 Q A -1.3323
50 K A 0.0000
51 A A -0.7517
52 P A -0.5082
53 A A 0.0000
54 I A 0.0000
55 S A -0.0218
56 V A 0.0000
57 L A 0.0000
58 H A -0.7289
59 E A 0.0000
60 L A 0.0000
61 I A 0.0000
62 Q A -0.7177
63 Q A -1.2474
64 I A 0.0000
65 F A -0.3200
66 N A -1.3556
67 L A 0.0000
68 F A 0.0000
69 T A -1.1613
70 T A -1.4148
71 K A -2.1489
72 D A -1.8221
73 S A 0.0000
74 S A -2.0501
75 A A -1.1844
76 A A -1.2408
77 W A 0.0000
78 D A -3.4721
79 E A -4.0154
80 D A -3.9416
81 L A -2.8048
82 L A 0.0000
83 D A -3.6681
84 K A -2.7413
85 F A 0.0000
86 C A -0.8173
87 T A -0.7176
88 E A -0.5988
89 L A 0.0000
90 Y A 0.4157
91 Q A -0.7926
92 Q A 0.0000
93 L A -0.9143
94 N A -1.7693
95 D A -1.5248
96 L A 0.0000
97 E A -1.7717
98 A A -0.8278
99 C A 0.0000
100 V A -0.4443
101 M A -0.4341
102 Q A -1.6751
103 E A 0.0000
104 E A -2.6120
105 R A -2.4657
106 V A -0.1581
107 G A -1.0132
108 E A -1.7042
109 T A -0.4596
110 P A -0.2160
111 L A 1.2002
112 M A 0.6056
113 N A 0.0000
114 A A 0.1957
115 D A -1.0544
116 S A 0.0000
117 I A 0.0362
118 L A -0.2486
119 A A -1.0019
120 V A 0.0000
121 K A -2.1036
122 K A -2.6846
123 Y A 0.0000
124 F A 0.0000
125 R A -2.9051
126 R A -2.0528
127 I A 0.0000
128 T A -1.0280
129 L A -0.8177
130 Y A 0.0000
131 L A 0.0000
132 T A -1.6130
133 E A -2.5190
134 K A -2.3496
135 K A -2.5667
136 Y A -1.2190
137 S A -1.0628
138 P A -0.6931
139 C A -0.2844
140 A A 0.0000
141 W A 0.0000
142 E A 0.0000
143 V A 0.0000
144 V A 0.0000
145 R A 0.0000
146 A A 0.0000
147 E A 0.0000
148 I A 0.0000
149 M A 0.0000
150 R A -0.1299
151 S A 0.0000
152 L A 0.0000
153 S A 0.0000
154 L A 0.0867
155 S A 0.0000
156 T A 0.0000
157 N A 0.0000
158 L A 0.0000
159 Q A -0.5398
160 E A -0.9173
161 R A 0.0000
162 L A 0.0000
163 R A -2.5272
164 R A 0.0000
165 K A -2.2036
166 E A -2.9396
167 E A -2.9385
168 A A -2.4453
169 A A -1.7173
170 A A -1.9815
171 K A -3.0926
172 E A -3.0870
173 A A -2.1199
174 A A -2.1085
175 A A -1.5287
176 K A -2.3910
177 E A -2.6943
178 A A 0.0000
179 A A -1.3691
180 A A -1.4907
181 K A 0.0000
182 R A -1.8111
183 T A 0.0000
184 S A -0.7916
185 W A -0.8370
186 K A -1.4071
187 R A -2.2922
188 V A -1.8966
189 T A -1.6776
190 S A -1.6092
191 G A -1.7044
192 E A -2.0530
193 D A -2.2936
194 V A 0.0000
195 V A 0.7653
196 L A 0.0000
197 L A 0.0000
198 P A -0.4390
199 A A -0.6608
200 P A -0.3553
201 A A -0.6272
202 G A -0.7635
203 P A -1.2772
204 E A -1.5397
205 E A 0.0000
206 R A -2.4467
207 T A -1.7506
208 R A -1.9551
209 A A -0.9913
210 H A 0.0000
211 K A -0.2920
212 L A 0.0000
213 L A 0.0000
214 W A 0.0000
215 A A 0.0000
216 A A 0.0000
217 E A 0.0000
218 P A -1.0775
219 L A 0.0000
220 D A -1.8876
221 A A -0.8634
222 C A -0.3882
223 G A -1.0825
224 P A -1.3782
225 L A -1.1331
226 R A -1.9324
227 P A -1.0536
228 S A -0.6676
229 W A -0.2511
230 V A 0.0000
231 A A 0.0000
232 L A -0.1124
233 W A 0.0000
234 P A 0.0000
235 P A -0.8651
236 R A -0.9985
237 R A -1.1491
238 V A -0.4145
239 L A 0.0000
240 E A -0.6097
241 T A 0.0000
242 V A 0.0000
243 V A 0.0000
244 D A -0.6523
245 A A -0.5487
246 A A -0.4447
247 C A -0.6725
248 M A -0.9812
249 R A -2.1756
250 A A -1.3088
251 P A -1.4431
252 E A -2.0811
253 P A 0.0000
254 L A 0.0000
255 A A 0.0000
256 I A 0.0000
257 A A 0.0000
258 Y A 0.1246
259 S A -0.8675
260 P A -0.8404
261 P A 0.1248
262 F A 0.7309
263 P A -0.2474
264 A A -0.7868
265 G A -1.9177
266 D A -3.0089
267 E A -2.5397
268 G A -0.9960
269 L A 0.8390
270 Y A 0.5504
271 S A 0.3259
272 E A -0.1192
273 L A 0.0000
274 A A 0.0000
275 W A -1.1478
276 R A -1.1839
277 D A -1.6970
278 R A -1.3632
279 V A 0.0000
280 A A 0.0000
281 V A 0.0000
282 V A -0.6097
283 N A -1.6435
284 E A -1.4691
285 S A 0.0000
286 L A 0.0000
287 V A 0.0000
288 I A 0.0000
289 Y A 0.0000
290 G A -1.5812
291 A A 0.0000
292 L A -0.7736
293 E A -2.0464
294 T A -1.2985
295 D A 0.0000
296 S A 0.0000
297 G A 0.0000
298 L A 0.0000
299 Y A 0.0000
300 T A 0.0000
301 L A 0.0000
302 S A 0.0000
303 V A 0.0000
304 V A -0.4011
305 G A -0.7000
306 L A 0.0000
307 S A -1.2145
308 D A -1.8526
309 E A -2.6266
310 A A 0.0000
311 R A -1.6383
312 Q A -1.3966
313 V A 0.0000
314 A A -0.3345
315 S A 0.0000
316 V A -0.2294
317 V A 0.0000
318 L A 0.0000
319 V A -1.2090
320 V A 0.0000
321 E A -2.0045
322 P A -0.8844
323 A A -0.4387
324 P A 0.3193
325 V A 1.4689
326 P A 0.4779
327 T A 0.1374
328 P A -0.5670
329 T A -1.1709
330 P A -1.8683
331 D A -3.4385
332 D A -3.5452
333 Y A -3.0173
334 D A -4.1565
335 E A -4.7271
336 E A -4.3760
337 D A -3.9849
338 D A -4.1089
339 A A -3.4616
340 G A -2.2132
341 V A -0.5622
342 S A -0.4899
343 E A -1.7671
344 R A -1.9152
345 T A -0.7058
346 P A -0.1416
347 V A 0.8771
348 N A -0.2806
349 V A 0.6060
350 P A 0.1749
351 P A -0.2305
352 P A -0.3920
353 T A -0.3157
354 P A 0.0000
355 P A 0.0000
356 R A -1.3476
357 R A -0.9691
358 P A -0.8178
359 P A 0.0000
360 V A -0.6229
361 A A 0.0127
362 P A -0.4496
363 P A 0.0000
364 T A -0.8894
365 H A -0.8442
366 P A -0.5847
367 R A -1.1213
368 V A 0.8017
369 I A 0.5326
370 P A -0.4119
371 E A -1.4206
372 V A -0.2226
373 S A -0.2926
374 H A -0.1074
375 V A 0.6229
376 R A -1.6054
377 G A -1.4445
378 V A 0.0000
379 T A 0.0000
380 V A 0.0000
381 H A 0.0000
382 M A 0.0000
383 E A 0.0000
384 T A 0.0000
385 P A 0.0000
386 E A 0.0000
387 A A 0.0000
388 I A 0.1752
389 L A 0.0512
390 F A 0.0000
391 A A -0.5721
392 P A -1.1058
393 G A -1.6169
394 E A -1.8021
395 T A -1.3858
396 F A -0.5223
397 G A -0.2314
398 T A 0.0000
399 N A -0.3614
400 V A 0.0000
401 S A -0.0531
402 I A 0.2631
403 H A 0.1084
404 A A -0.0366
405 I A 0.0669
406 A A -1.1996
407 H A -1.2450
408 D A -1.9600
409 D A -2.9386
410 G A -1.9220
411 P A -1.4196
412 Y A 0.0000
413 A A -0.8051
414 M A 0.0000
415 D A -1.2580
416 V A 0.0000
417 V A 0.0000
418 W A 0.0000
419 M A 0.0000
420 R A -0.7337
421 F A -0.7992
422 D A -1.8986
423 V A -0.9274
424 P A -0.7079
425 S A -0.6425
426 S A -0.3291
427 C A 0.0000
428 A A 0.0182
429 E A 0.0000
430 M A 0.0000
431 R A -0.2765
432 I A 0.0000
433 Y A 0.0000
434 E A -0.3157
435 A A 0.0000
436 C A 0.0000
437 L A 0.0000
438 Y A 0.0000
439 H A 0.0000
440 P A 0.0000
441 Q A -0.2996
442 L A 0.0000
443 P A 0.0000
444 E A 0.0000
445 C A 0.0000
446 L A 0.2034
447 S A 0.0000
448 P A -0.4777
449 A A -0.6968
450 D A -0.6101
451 A A -0.4293
452 P A -0.5370
453 C A -0.3867
454 A A -0.3191
455 V A 0.0000
456 S A 0.0000
457 S A 0.2747
458 W A 0.3913
459 A A 0.4729
460 Y A 0.8066
461 R A -0.4663
462 L A 0.0000
463 A A 0.0000
464 V A 0.0000
465 R A -1.3129
466 S A -0.9082
467 Y A 0.0000
468 A A -0.3074
469 G A -0.2319
470 C A 0.0000
471 S A -1.8861
472 R A -2.5311
473 T A -1.4590
474 T A -1.1289
475 P A -1.0251
476 P A -0.7416
477 P A -0.8127
478 R A -1.5808
479 C A -0.1207
480 F A 1.0017
481 A A -0.4301
482 E A -1.9317
483 A A -1.8398
484 R A -2.4395
485 M A -1.1568
486 E A -1.0648
487 P A -0.6029
488 V A -0.0517
489 P A -0.5994
490 G A -0.9910
491 L A 0.0000
492 A A -0.3309
493 W A 0.0305
494 L A 0.3853
495 A A 0.1783
496 S A -0.2727
497 T A 0.0610
498 V A 0.0246
499 N A -0.0748
500 L A 0.0000
501 E A -0.5351
502 F A 0.0000
503 Q A -1.7695
504 H A -2.0889
505 A A 0.0000
506 S A -1.2863
507 P A -0.9802
508 Q A -1.5246
509 H A 0.0000
510 A A -0.8422
511 G A 0.0000
512 L A 0.0000
513 Y A 0.0000
514 L A 0.0000
515 C A 0.0000
516 V A 0.0000
517 V A 0.0000
518 Y A 0.0000
519 V A 0.0000
520 D A -2.5549
521 D A -2.7836
522 H A -1.7898
523 I A 0.0000
524 H A -0.6236
525 A A 0.0000
526 W A 0.0000
527 G A 0.0000
528 H A 0.0000
529 M A 0.0000
530 T A 0.0000
531 I A 0.0000
532 S A 0.0000
533 T A 0.0000
534 A A -0.0936
535 A A -0.2385
536 Q A -0.6926
537 Y A 0.0000
538 R A -0.4268
539 N A 0.0000
540 A A 0.0000
541 V A 0.0000
542 V A 0.0541
543 E A 0.0000
544 Q A -0.3509
545 H A 0.0000
546 L A 0.0000
547 P A 0.0000
548 Q A -0.9879
549 R A -1.2476
550 Q A -2.0317
551 P A -1.8579
552 E A -2.2863
553 P A -1.5000
554 V A -1.3424
555 E A -2.3320
556 P A -1.7432
557 T A -1.7225
558 R A -2.3738
559 P A -1.4707
560 H A -1.7921
561 V A -1.4756
562 R A 0.0000
563 A A -1.4625
564 G A -0.9859
565 S A -0.5626
566 S A -0.7406
567 G A -1.1945
568 G A -1.2495
569 G A -1.6885
570 G A -1.1617
571 S A -1.1861
572 H A -1.5693
573 H A -1.9484
574 H A -1.8344
575 H A -2.1232
576 H A -2.1458
577 H A -1.7623
578 H A -2.1341
579 H A -1.6744
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