Project name: 3e59abfe1bc08e9

Status: done

Started: 2025-12-11 19:38:27
Settings
Chain sequence(s) A: MFASCCVPRGRRTMKMIFRSSSVKSLSQEMRCTIRLLDDSEISCIQRETKGQFLIDICNYYSLLEKDYFGIRYVDPEKQRWLEPNKSIFKQMKTPPYTMCFRVKFYPEPLKIKEELTRYLLYLQIKRDIFGRLLCSFSDAAYLGACIVQAELGDYDPDEPENYISEFEIFPKQSQKLERKIVEIKNELRGQSPPVAEFNLLLKATLETYGVDPPCKDSTGTTTFLGFTAAGFVVFQGNKRILIKWPDVCKLKFEGKTFYVIGTQKEKKAMLAFTSTPAACKLWKCGVENQAFYKYAKSSQIKTVSSSKIFFKGSRFRYSGKVAKEVVEASSKIQREPPEVRANITQSRSSSLNKQLIINMEPLQPLLPSPSEQEEELPLGEGVPLPKEENISAPLISSSPVKAAREYEDPPSEEEDKIKEEPLTISELVYNPSASLLPTPVDDDEIDMLFDCPSRLELEREDTDSFEDLEADENAFLIAEEEELKEARRALSWSYDILTGIRVNPLVKSFSRLLVVGLGLLLFVFPLLLLLLESGIDLSFLCEIRQTPEFEQFYEYYCPLKEWVAGKVLILYMLGCS
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]                                                (00:00:02)
[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 minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:19:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:41)
Show buried residues

Minimal score value
-4.3459
Maximal score value
2.8986
Average score
-0.801
Total score value
-462.1492

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 2.0094
2 F A 2.3471
3 A A 1.3886
4 S A 0.6605
5 C A 0.5325
7 C A 0.1569
8 V A 0.0000
9 P A -1.2629
10 R A -2.3520
11 G A -1.8035
12 R A -1.7995
13 R A -2.2635
14 T A -1.1272
15 M A -0.0894
16 K A -1.5727
17 M A -0.3086
18 I A 0.5312
20 F A 0.8648
21 R A -0.7243
22 S A -0.5461
23 S A -0.3310
24 S A -0.0175
25 V A 0.8369
26 K A -0.7047
27 S A -0.0119
28 L A 0.7614
29 S A -1.3515
30 Q A -2.5841
31 E A -3.4290
32 M A -2.2118
33 R A -2.2311
34 C A 0.0000
35 T A -0.8987
36 I A 0.0000
37 R A -1.6424
38 L A 0.0000
39 L A 0.0000
40 D A -1.8757
41 D A -1.9624
42 S A -1.8793
43 E A -2.0972
44 I A -0.4414
45 S A -0.5540
46 C A 0.2541
48 I A -1.5665
49 Q A -3.2467
50 R A -3.0265
51 E A -3.3336
52 T A -2.3721
53 K A -2.6885
54 G A 0.0000
55 Q A -0.7450
56 F A 0.9340
57 L A 0.0000
58 I A 0.0000
59 D A -0.5454
61 I A 0.0000
62 C A 0.0000
63 N A -0.8607
64 Y A 0.6623
65 Y A 0.3302
66 S A -0.1896
67 L A -0.2234
68 L A -0.0431
69 E A -0.6089
70 K A -1.3977
71 D A -1.2069
72 Y A -0.6511
73 F A 0.0000
74 G A 0.0000
75 I A 0.0000
76 R A -0.2504
77 Y A 0.1349
78 V A -0.3615
79 D A -1.1834
80 P A -1.4340
81 E A -1.9141
82 K A -1.7524
83 Q A -1.2618
84 R A -1.0587
86 W A -0.1228
87 L A 0.0000
88 E A -1.7906
89 P A -1.5852
90 N A -2.3719
91 K A -2.9870
92 S A -2.6236
93 I A 0.0000
94 F A -1.9086
95 K A -2.5875
96 Q A -1.5238
97 M A -1.2260
98 K A -2.1234
99 T A -1.1346
101 P A -1.0759
102 P A -0.9720
103 Y A 0.0000
104 T A -0.6458
105 M A 0.0000
106 C A -0.4389
107 F A 0.0000
108 R A -0.3736
109 V A 0.0000
110 K A -0.3757
111 F A 0.0000
112 Y A 0.0000
113 P A -0.7760
115 E A -2.2382
116 P A -1.0561
117 L A -0.5100
118 K A -1.8707
119 I A -1.5373
120 K A -2.5063
121 E A -1.9715
122 E A -1.3458
123 L A 0.0000
124 T A 0.0000
125 R A -0.8567
126 Y A -0.2593
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 0.0000
134 R A -0.7372
135 D A 0.0000
136 I A 0.0000
137 F A -0.3416
139 G A -0.6298
140 R A -0.7443
141 L A 0.0000
142 L A -0.1120
143 C A -0.1268
144 S A -0.6070
145 F A -0.0672
146 S A -0.1145
147 D A -0.1440
148 A A 0.0000
149 A A 0.0000
150 Y A -0.3426
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 0.0286
157 Q A -0.8533
158 A A -0.4897
159 E A 0.0000
160 L A -0.1376
161 G A -1.2248
162 D A -2.3749
163 Y A -1.6585
164 D A -2.7048
165 P A -2.7557
166 D A -3.5333
167 E A -3.0622
169 P A -2.2072
170 E A -3.6166
171 N A -2.9371
172 Y A -1.3091
173 I A 0.0000
174 S A -1.9168
175 E A -2.0430
176 F A -0.6899
177 E A -1.0311
178 I A 0.0000
179 F A 0.0000
180 P A 0.0000
181 K A -1.1887
182 Q A -1.4946
183 S A 0.0000
184 Q A -2.7429
185 K A -2.8526
186 L A -2.0724
187 E A -2.8032
188 R A -3.7263
189 K A -2.8053
190 I A 0.0000
191 V A -2.4587
192 E A -3.7574
193 I A 0.0000
195 K A -3.9743
196 N A -3.4193
197 E A -3.5538
198 L A 0.0000
199 R A -4.0327
200 G A -2.4831
201 Q A 0.0000
202 S A -0.6701
203 P A -0.5261
204 P A -0.2531
205 V A -0.3911
206 A A 0.0000
207 E A -0.1407
208 F A 0.6042
209 N A 0.0000
210 L A 0.0000
211 L A 0.0000
212 L A 0.0000
213 K A 0.0000
214 A A 0.0000
216 T A 0.1425
217 L A 0.3183
218 E A -0.1354
219 T A 0.0000
220 Y A 0.0331
221 G A 0.0000
222 V A 0.0000
223 D A -0.8000
224 P A -0.3720
226 P A -0.5748
227 C A 0.0000
228 K A -0.9842
229 D A -0.8411
230 S A -0.6313
231 T A -0.9853
232 G A -0.9022
233 T A -0.6911
234 T A -0.7447
235 T A 0.0000
236 F A 0.0454
237 L A 0.0000
238 G A 0.0000
239 F A 0.0000
240 T A 0.0000
241 A A -0.2114
242 A A -0.3010
243 G A 0.0000
244 F A 0.0000
245 V A 0.0000
246 V A 0.2045
247 F A 0.0000
248 Q A 0.0000
249 G A -1.1610
250 N A -2.4673
251 K A -1.1027
252 R A 0.0000
253 I A -0.2360
255 L A 0.2168
256 I A 0.0000
257 K A -0.7723
258 W A 0.0000
259 P A -0.7076
260 D A 0.0000
261 V A 0.0000
262 C A -0.6167
263 K A -1.4352
264 L A -0.7310
265 K A -1.3710
266 F A -1.5868
267 E A -2.6569
268 G A -2.1974
269 K A -2.3173
270 T A -1.6148
271 F A 0.0000
272 Y A -0.2280
273 V A 0.0000
274 I A -0.1576
275 G A 0.0000
276 T A -2.3118
277 Q A -2.5711
278 K A -3.6430
279 E A -3.9164
280 K A -4.0278
281 K A -3.0378
282 A A -0.8498
283 M A 0.5788
284 L A 0.5618
285 A A 0.2239
286 F A 0.0000
288 T A -0.8835
289 S A -0.5003
290 T A 0.0000
291 P A -1.4557
292 A A -1.1664
293 A A 0.0000
294 C A 0.0000
295 K A -1.7462
297 L A -0.2816
298 W A 0.0000
299 K A -1.0863
300 C A -0.4113
301 G A 0.0000
302 V A -0.9280
303 E A -0.7216
304 N A 0.0000
305 Q A -0.8305
306 A A 0.0000
307 F A 0.0000
308 Y A -0.9871
309 K A -1.8719
310 Y A -1.7289
311 A A -1.3612
312 K A -1.9587
313 S A -1.7911
314 S A -1.3157
315 Q A -1.8331
316 I A -1.9160
317 K A -2.0381
318 T A -1.2897
319 V A -0.8154
320 S A -1.0689
321 S A -1.4715
322 S A -1.4267
323 K A -1.8295
324 I A -0.7465
325 F A 0.0000
326 F A -0.0503
327 K A -1.2620
328 G A -1.1523
329 S A -1.0950
330 R A -1.1458
331 F A -1.1822
332 R A -1.7522
333 Y A 0.0000
334 S A -1.1455
335 G A -1.3293
336 K A -1.6386
337 V A 0.0000
338 A A -1.1647
339 K A -1.9948
340 E A -1.3471
341 V A 0.0000
342 V A 0.2850
343 E A -1.1516
344 A A -0.6431
345 S A -0.5731
346 S A -0.9319
347 K A -1.1823
348 I A 0.4291
349 Q A -1.5435
350 R A -1.6791
351 E A -2.7347
352 P A -2.0989
353 P A -1.4823
354 E A -1.5922
355 V A -0.1463
357 R A -1.9358
358 A A -1.7037
359 N A -1.9224
360 I A 0.0000
361 T A -1.3482
362 Q A -2.3525
363 S A -1.9698
364 R A -2.3567
365 S A -1.3493
366 S A -0.8411
368 S A 0.6856
369 L A 1.3352
370 N A 0.1265
371 K A -0.1164
372 Q A -0.2288
373 L A 1.5916
374 I A 1.5205
375 I A 1.8048
376 N A -0.2150
377 M A 0.2549
378 E A -0.6091
379 P A -1.0109
380 L A -0.6072
381 Q A -0.7705
382 P A -0.9000
383 L A -0.4653
384 L A 0.0000
385 P A -0.5979
386 S A -1.0412
387 P A -1.4277
388 S A -1.9680
389 E A -3.3134
390 Q A -3.5175
391 E A -3.5835
392 E A -3.4201
393 E A -2.6759
394 L A -0.3972
395 P A 0.2109
396 L A 0.1005
397 G A -0.7417
398 E A -1.5934
399 G A 0.3064
400 V A 1.3654
401 P A 0.7779
402 L A 0.8773
403 P A -0.5535
404 K A -1.9339
405 E A -3.4971
406 E A -3.4934
407 N A -2.8614
408 I A -1.9222
409 S A -1.9198
410 A A -0.7104
411 P A 0.0000
412 L A 2.0909
413 I A 2.5398
414 S A 1.1539
415 S A 0.2832
416 S A 0.0725
417 P A 0.0423
418 V A 0.7811
419 K A -1.0197
420 A A -0.8125
421 A A -1.3674
422 R A -2.8273
423 E A -2.7183
424 Y A -2.1687
425 E A -3.0662
426 D A -2.0879
427 P A -1.6475
428 P A -1.6705
429 S A -2.0532
430 E A -3.9949
431 E A -4.3071
432 E A -4.2837
433 D A -3.6715
434 K A -3.1175
435 I A -0.6883
436 K A -2.5163
437 E A -3.3739
438 E A -3.3044
439 P A -1.5484
440 L A -0.5458
441 T A -0.5237
442 I A 0.0000
443 S A -0.7444
444 E A -1.7585
445 L A -0.4571
446 V A 0.0000
447 Y A 0.6048
448 N A 0.1313
449 P A -0.0451
450 S A -0.5193
451 A A -0.5268
452 S A -0.3257
453 L A 0.0000
454 L A 0.0000
455 P A -0.0598
456 T A -0.3487
457 P A -0.8958
458 V A -0.5245
459 D A -2.7646
460 D A -3.7010
461 D A -3.7554
462 E A -3.2022
463 I A -1.3887
464 D A -1.1001
465 M A 1.0052
466 L A 1.6107
467 F A 0.8161
468 D A -0.9767
469 C A -1.0429
470 P A -0.7574
471 S A -1.3176
472 R A -2.1817
473 L A -1.4632
474 E A -1.4807
475 L A -1.0307
476 E A -1.9565
477 R A -1.2926
478 E A -1.1062
479 D A -1.3623
480 T A -1.1632
481 D A -2.5211
482 S A 0.0000
483 F A -0.8043
484 E A -2.7695
485 D A -2.4821
486 L A -2.3055
487 E A -3.0119
488 A A -2.2009
489 D A -1.9028
490 E A -2.1324
491 N A -1.2325
492 A A 0.0210
493 F A 0.9933
494 L A 1.1388
495 I A 0.9540
496 A A -0.6644
497 E A -2.0081
498 E A -2.5761
499 E A -3.5869
500 E A -4.0878
501 L A -2.9331
502 K A -3.6343
503 E A -4.3459
504 A A -2.8099
505 R A -2.1339
506 R A -3.0352
507 A A -1.8429
508 L A 0.0000
509 S A -0.8487
510 W A -0.5816
511 S A -0.3573
512 Y A 0.1817
513 D A -0.4339
514 I A 0.0000
515 L A 0.9847
516 T A 0.4239
517 G A 0.0417
519 I A 0.9484
520 R A -0.9881
521 V A -0.1910
522 N A 0.0325
523 P A 0.0948
524 L A 1.3163
525 V A 0.0000
526 K A -0.3050
527 S A -0.1073
528 F A 0.8025
529 S A 0.0000
530 R A 0.3018
531 L A 0.8145
532 L A 0.0000
533 V A 0.0000
534 V A 1.0995
535 G A 0.0000
536 L A 0.5234
537 G A 0.4749
538 L A 0.8849
539 L A 0.0000
540 L A 0.0000
541 F A 0.9198
542 V A 1.2379
543 F A 0.0000
544 P A 1.2180
545 L A 2.3874
546 L A 0.0000
547 L A 1.4810
548 L A 2.0623
549 L A 1.1753
550 L A 0.6192
551 E A -0.8889
552 S A -0.3830
553 G A -0.3934
554 I A 0.5001
555 D A -0.7760
556 L A 0.0448
557 S A -0.1216
558 F A 0.3688
559 L A 0.0000
560 C A -0.3891
561 E A -0.3583
562 I A 0.0000
563 R A -1.6976
564 Q A -1.6168
565 T A 0.0000
566 P A -1.5664
567 E A -1.8344
568 F A -1.5118
569 E A -2.0653
570 Q A -1.5081
571 F A 0.0000
573 Y A 0.4008
574 E A -0.9161
575 Y A 0.0000
576 Y A 0.2129
577 C A 0.0285
578 P A 0.0000
579 L A 0.0000
580 K A -1.1719
581 E A -1.6286
582 W A -0.3539
583 V A -0.1584
584 A A -0.3116
585 G A -0.2798
586 K A 0.4897
587 V A 1.9330
589 L A 1.7667
590 I A 2.2197
591 L A 2.8986
592 Y A 2.5052
593 M A 1.7892
594 L A 2.4332
595 G A 1.3621
596 C A 1.7420
597 S A 1.0785
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Laboratory of Theory of Biopolymers 2018