Project name: 2f02ce8c5adc891

Status: done

Started: 2025-12-11 20:14:22
Settings
Chain sequence(s) A: MFASCCVPRGRRTMKMIFRSSSVKSLSQEMRCTIRLLDDSEISCIQRETKGQFLIDICNYYSLLEKDYFGIRYVDPEKQRWLEPNKSIFKQMKTPPYTMCFRVKFYPEPLKIKEELTRYLLYLQIKRDIFGRLLCSFSDAAYLGACIVQAELGDYDPDEPENYISEFEIFPKQSQKLERKIVEIKNELRGQSPPVAEFNLLLKATLETYGVDPPCKDSTGTTTFLGFTAAGFVVFQGNKRILIKWPDVCKLKFEGKTFYVIGTQKEKKAMLAFTSTPAACKLWKRGVENQAFYKYAKSSQIKTVSSSKIFFKGSRFRYSGKVAKEVVEASSKIQREPPEVRANITQSRSSSLNKQLIINMEPLQPLLPSPSEQEEELPLGEGVPLPKEENISAPLISSSPVKAAREYEDPPSEEEDKIKEEPLTISELVYNPSASLLPTPVDDDEIDMLFDCPSRLELEREDTDSFEDLEADENAFLIAEEEELKEARRALSWSYDILTGIRVNPLVKSFSRLLVVGLGLLLFVFPLLLLLLESGIDLSFLCEIRQTPEFEQFYEYYCPLKEWVAGKVLILYMLGCS
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
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 minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:18:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:48)
Show buried residues

Minimal score value
-4.8455
Maximal score value
4.6453
Average score
-0.6708
Total score value
-387.0564

The table below lists A3D score for protein residues. Residues with A3D score > 0.0000 are marked by yellow rows.

residue index residue name chain Aggrescan3D score mutation
residue index residue name chain Aggrescan3D score
mutation
1 M A 1.9641
2 F A 2.4243
3 A A 1.2929
4 S A 0.8193
5 C A 0.8225
7 C A 1.4871
8 V A 1.4535
9 P A -0.4332
10 R A -2.2410
11 G A -2.4559
12 R A -3.2751
13 R A -2.9969
14 T A -1.3214
15 M A -0.1617
16 K A -0.8219
17 M A 0.9536
18 I A 1.2275
20 F A 1.2660
21 R A -1.0156
22 S A -0.4853
23 S A -0.1122
24 S A 0.1088
25 V A 1.1175
26 K A -0.8429
27 S A -0.7231
28 L A 0.1721
29 S A -0.9960
30 Q A -2.2793
31 E A -3.0393
32 M A -2.3778
33 R A -2.3415
34 C A 0.0000
35 T A 0.0000
36 I A 0.0000
37 R A 0.0000
38 L A 0.0000
39 L A 0.0000
40 D A -1.4009
41 D A -1.3382
42 S A -1.3628
43 E A -1.3392
44 I A -0.1876
45 S A -0.5163
46 C A -0.3621
48 I A 0.0000
49 Q A -2.8797
50 R A -3.1660
51 E A -3.0647
52 T A -2.1759
53 K A -2.6046
54 G A 0.0000
55 Q A -0.8534
56 F A 0.7976
57 L A 0.0000
58 I A -0.4208
59 D A -0.7937
61 I A 0.0000
62 C A 0.0000
63 N A -0.8992
64 Y A 0.6178
65 Y A 0.1276
66 S A -0.3727
67 L A 0.0000
68 L A 0.2962
69 E A 0.0000
70 K A -1.0405
71 D A -0.9502
72 Y A 0.0000
73 F A 0.0000
74 G A 0.0000
75 I A 0.0000
76 R A -0.2163
77 Y A -0.3264
78 V A -1.2246
79 D A -2.1424
80 P A -2.3469
81 E A -3.2493
82 K A -3.0022
83 Q A -1.9401
84 R A -1.1959
86 W A -0.2124
87 L A 0.0000
88 E A -1.4134
89 P A -1.5860
90 N A -2.2458
91 K A -2.8688
92 S A -2.6269
93 I A 0.0000
94 F A -1.7994
95 K A -2.5877
96 Q A -1.5569
97 M A -1.1355
98 K A -2.2785
99 T A -1.2114
101 P A -1.1569
102 P A -1.0659
103 Y A 0.0000
104 T A -0.6237
105 M A 0.0000
106 C A 0.0000
107 F A 0.0000
108 R A 0.0000
109 V A 0.0000
110 K A -0.2872
111 F A 0.0000
112 Y A 0.0000
113 P A -0.7032
115 E A -1.5285
116 P A -0.4896
117 L A 0.3324
118 K A -1.5231
119 I A 0.0000
120 K A -1.5454
121 E A 0.0000
122 E A -1.2552
123 L A 0.0000
124 T A 0.0000
125 R A -0.6016
126 Y A 0.0000
127 L A 0.0000
128 L A 0.0000
129 Y A 0.0000
130 L A 0.0000
131 Q A 0.0000
132 I A 0.0000
133 K A -0.3428
134 R A -0.4544
135 D A 0.0000
136 I A 0.0000
137 F A -0.6089
139 G A -0.7805
140 R A -0.6968
141 L A 0.0000
142 L A 0.0000
143 C A 0.0000
144 S A -0.5363
145 F A -0.5338
146 S A -0.2546
147 D A -0.2830
148 A A 0.0000
149 A A 0.0000
150 Y A -0.3379
151 L A 0.0000
152 G A 0.0000
153 A A 0.0000
154 C A 0.0000
155 I A 0.0000
156 V A 0.1162
157 Q A 0.0000
158 A A 0.0000
159 E A -0.2999
160 L A 0.1377
161 G A -1.0313
162 D A -2.4843
163 Y A -2.3773
164 D A -3.3483
165 P A -2.9389
166 D A -3.3768
167 E A -3.4946
169 P A -2.4515
170 E A -2.9164
171 N A -2.8651
172 Y A -1.7510
173 I A 0.0000
174 S A -2.3078
175 E A -2.4451
176 F A 0.0000
177 E A -2.4657
178 I A 0.0000
179 F A 0.0000
180 P A -1.4074
181 K A -1.9927
182 Q A -2.0305
183 S A -2.2023
184 Q A -2.9022
185 K A -3.0635
186 L A 0.0000
187 E A 0.0000
188 R A -3.7271
189 K A -2.4932
190 I A 0.0000
191 V A -1.9742
192 E A -2.9705
193 I A 0.0000
195 K A -3.2821
196 N A -3.3761
197 E A -3.2473
198 L A 0.0000
199 R A -2.8204
200 G A -1.6689
201 Q A -0.9599
202 S A -0.5179
203 P A -0.0649
204 P A 0.1280
205 V A 0.6311
206 A A 0.0000
207 E A 0.0000
208 F A 0.8436
209 N A 0.4709
210 L A 0.0000
211 L A 0.0000
212 L A 0.7518
213 K A 0.0508
214 A A 0.0000
216 T A -0.4411
217 L A -0.5495
218 E A -1.7446
219 T A 0.0000
220 Y A -0.3227
221 G A 0.0000
222 V A 0.0000
223 D A -0.3755
224 P A -0.2740
226 P A -0.4993
227 C A 0.0000
228 K A -2.1859
229 D A -1.4984
230 S A -0.8661
231 T A -0.8342
232 G A -1.3210
233 T A -1.1213
234 T A -0.9407
235 T A 0.0000
236 F A 0.0000
237 L A 0.0000
238 G A 0.0000
239 F A 0.0000
240 T A 0.0000
241 A A -0.4995
242 A A -0.5021
243 G A 0.0000
244 F A 0.0000
245 V A 0.0000
246 V A 0.0000
247 F A 0.0000
248 Q A -1.0717
249 G A -1.1956
250 N A -1.5376
251 K A -2.2860
252 R A -1.5380
253 I A 0.9528
255 L A 0.3051
256 I A 0.0000
257 K A -1.6816
258 W A 0.0000
259 P A -1.0304
260 D A -1.5149
261 V A 0.0000
262 C A -0.1372
263 K A -0.5846
264 L A 0.0000
265 K A -1.3638
266 F A 0.0000
267 E A -2.4081
268 G A -1.9248
269 K A -1.3423
270 T A -1.3214
271 F A 0.0000
272 Y A 0.0219
273 V A 0.0000
274 I A 0.0833
275 G A 0.0000
276 T A -2.3291
277 Q A -2.9723
278 K A -3.6657
279 E A -4.0635
280 K A -4.1650
281 K A -3.0601
282 A A -1.2076
283 M A 0.8650
284 L A 0.8103
285 A A 0.1277
286 F A -0.5737
288 T A -0.8195
289 S A -0.5766
290 T A -1.0116
291 P A -1.1460
292 A A -0.7815
293 A A -0.8542
294 C A 0.0000
295 K A -1.4912
297 L A -0.3975
298 W A 0.0000
299 K A -1.3446
300 R A -0.5800
301 G A 0.0000
302 V A 0.0000
303 E A 0.0000
304 N A 0.0000
305 Q A -0.6731
306 A A 0.0000
307 F A 0.0000
308 Y A 0.0000
309 K A -1.3749
310 Y A -1.3038
311 A A -1.5749
312 K A -2.4649
313 S A -2.1443
314 S A -1.6697
315 Q A -2.0314
316 I A 0.0000
317 K A -2.3644
318 T A -1.8406
319 V A -1.6386
320 S A -1.4779
321 S A 0.0000
322 S A -1.3509
323 K A -1.3032
324 I A 0.1794
325 F A 1.0373
326 F A 1.0117
327 K A -0.9822
328 G A -1.2514
329 S A -1.4998
330 R A -2.1914
331 F A 0.0000
332 R A -2.5334
333 Y A 0.0000
334 S A -1.3005
335 G A -1.3197
336 K A -1.9769
337 V A 0.0000
338 A A -1.6785
339 K A -2.6633
340 E A -2.2533
341 V A 0.0000
342 V A -2.1160
343 E A -2.8140
344 A A -1.7704
345 S A 0.0000
346 S A -2.2566
347 K A -2.7280
348 I A 0.0000
349 Q A -2.3887
350 R A -2.3097
351 E A -2.7049
352 P A -1.9636
353 P A -1.4588
354 E A -1.9737
355 V A -0.6193
357 R A -1.5228
358 A A -1.1752
359 N A -1.2888
360 I A -1.2574
361 T A -1.2942
362 Q A -2.0337
363 S A -1.8335
364 R A -2.3905
365 S A -1.5174
366 S A -0.9770
368 S A -1.0467
369 L A -0.7773
370 N A -1.6520
371 K A -2.3192
372 Q A -2.5287
373 L A -1.0778
374 I A -0.5313
375 I A -1.3919
376 N A -1.0221
377 M A -0.6822
378 E A -1.6958
379 P A -0.5809
380 L A 0.5158
381 Q A -0.2839
382 P A 0.6330
383 L A 1.9833
384 L A 1.8792
385 P A 0.6405
386 S A -0.1387
387 P A -0.9639
388 S A -1.9178
389 E A -3.2054
390 Q A -3.4694
391 E A -4.1094
392 E A -3.7640
393 E A -2.2219
394 L A 0.5264
395 P A 0.8853
396 L A 0.9500
397 G A -0.6288
398 E A -1.6042
399 G A -0.4889
400 V A 1.3642
401 P A 0.7907
402 L A 1.1888
403 P A -0.5572
404 K A -2.8709
405 E A -3.9846
406 E A -3.4876
407 N A -2.0417
408 I A 0.9156
409 S A 0.5780
410 A A 0.6011
411 P A 0.9701
412 L A 2.5130
413 I A 2.6687
414 S A 1.0067
415 S A -0.0285
416 S A -0.1206
417 P A 0.1523
418 V A 0.8354
419 K A -0.8768
420 A A -0.8400
421 A A -1.3869
422 R A -2.4132
423 E A -2.6281
424 Y A -1.2103
425 E A -2.4591
426 D A -2.7628
427 P A -1.8337
428 P A -1.4905
429 S A -2.2374
430 E A -3.5292
431 E A -4.3460
432 E A -4.3163
433 D A -3.7568
434 K A -3.0101
435 I A -1.0595
436 K A -2.4967
437 E A -2.7694
438 E A -2.5933
439 P A -1.1221
440 L A -0.3935
441 T A -0.7333
442 I A -0.2916
443 S A -0.0065
444 E A -0.6180
445 L A 1.2457
446 V A 1.1979
447 Y A 0.2850
448 N A -0.5326
449 P A -0.6155
450 S A -0.8617
451 A A 0.2999
452 S A 0.8196
453 L A 2.1472
454 L A 2.0742
455 P A 0.9466
456 T A 0.4409
457 P A 0.0102
458 V A 0.1247
459 D A -2.2124
460 D A -3.3125
461 D A -3.4109
462 E A -2.3688
463 I A -0.0688
464 D A -0.3078
465 M A 1.4483
466 L A 2.2766
467 F A 1.9641
468 D A -0.0200
469 C A 0.1503
470 P A -0.4895
471 S A -1.0675
472 R A -1.6376
473 L A -0.1811
474 E A -1.0971
475 L A -0.5718
476 E A -2.8181
477 R A -3.8186
478 E A -4.2926
479 D A -3.7410
480 T A -2.4302
481 D A -2.9338
482 S A -1.5641
483 F A -0.1785
484 E A -2.9026
485 D A -3.1920
486 L A -2.0239
487 E A -2.5717
488 A A -1.8935
489 D A -2.5077
490 E A -1.9788
491 N A -0.7271
492 A A 0.1821
493 F A 1.2977
494 L A 1.3526
495 I A 1.1829
496 A A -0.4301
497 E A -1.9121
498 E A -2.6473
499 E A -3.7824
500 E A -4.3441
501 L A -3.3490
502 K A -4.8455
503 E A -4.5724
504 A A -2.8463
505 R A -3.5658
506 R A -2.8842
507 A A -0.9505
508 L A 0.2144
509 S A -0.2130
510 W A 0.8542
511 S A 0.8311
512 Y A 1.1579
513 D A -0.3128
514 I A 0.0002
515 L A 0.1538
516 T A -0.2680
517 G A -0.7214
519 I A 0.1636
520 R A -1.5430
521 V A -0.3663
522 N A -0.3472
523 P A 0.1176
524 L A 1.6362
525 V A 1.1380
526 K A 0.1352
527 S A 1.0966
528 F A 2.8908
529 S A 1.7075
530 R A 0.7478
531 L A 2.8025
532 L A 3.0886
533 V A 2.7096
534 V A 3.2581
535 G A 2.6556
536 L A 3.4822
537 G A 3.1279
538 L A 4.4541
539 L A 4.6050
540 L A 4.3347
541 F A 4.6453
542 V A 4.3528
543 F A 3.9528
544 P A 2.6913
545 L A 2.8529
546 L A 2.1619
547 L A 0.0000
548 L A 1.6385
549 L A 1.1957
550 L A 0.0000
551 E A -1.0223
552 S A -0.5367
553 G A -0.5665
554 I A -0.1901
555 D A -0.7423
556 L A 0.5767
557 S A 0.5120
558 F A 1.5009
559 L A 0.0000
560 C A -0.3630
561 E A -1.0592
562 I A -0.3631
563 R A -1.4961
564 Q A -2.2208
565 T A -1.9186
566 P A -2.0598
567 E A -2.5263
568 F A -1.2946
569 E A -2.3435
570 Q A -1.6854
571 F A 0.0442
573 Y A 0.8478
574 E A -0.1114
575 Y A 1.2305
576 Y A 0.4499
577 C A 0.4584
578 P A -0.0212
579 L A 0.3509
580 K A -1.1176
581 E A -1.9683
582 W A -0.6135
583 V A -0.0635
584 A A -0.2663
585 G A -0.3071
586 K A 0.1227
587 V A 2.3426
589 L A 3.2108
590 I A 3.5172
591 L A 3.5754
592 Y A 3.7472
593 M A 3.6138
594 L A 3.2085
595 G A 1.7572
596 C A 1.8843
597 S A 0.6416
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Laboratory of Theory of Biopolymers 2018