Project name: 15eb67b31ff93af

Status: done

Started: 2026-07-06 06:34:55
Settings
Chain sequence(s) A: METDTLLLWVLLLWVPGSTEVQLVESGGGLVQPGGSLRLSCAASGFTFSYAMSWVRAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYARSSYDSSGYYAMDYWGQGTLVTVSSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTTSCRASQDISNYLAWYQQKPGKAPKLLIYYTSRLQSGVPSRFSGSGSGDTFTLISSLQPEDFATYYCQQYNSYPYTFGQGKTVEIKGGGGGSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSSYDSSGYYAMDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCRASQDISNYLAWYQQKPGKAPKLLIYYTSRLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNSYPYTFGQGTKVEIKGGGGGSGGGGSGGGGSTIDQWLLKNAKEDAIAELKKAGITSDFYFNAINKAKTVEEVNALKNEILKAHAHHHHHH
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]                                                (00:00:00)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:37)
Show buried residues

Minimal score value
-3.2343
Maximal score value
4.5317
Average score
-0.6927
Total score value
-412.1657

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 -0.0886
2 E A -1.8762
3 T A -1.3521
4 D A -1.5779
5 T A 0.2022
6 L A 2.3643
7 L A 3.4000
8 L A 4.1058
9 W A 4.2133
10 V A 4.5317
11 L A 4.4701
12 L A 4.4582
13 L A 4.1965
14 W A 3.3868
15 V A 2.7908
16 P A 0.9083
17 G A -0.2382
18 S A -0.7319
19 T A -1.3745
20 E A -2.1468
21 V A -1.0439
22 Q A -1.0151
23 L A 0.0000
24 V A 0.6008
25 E A 0.0000
26 S A -0.4825
27 G A -1.0246
28 G A -0.6210
29 G A -0.6022
30 L A -0.3251
31 V A 0.0000
32 Q A -1.6530
33 P A -1.7781
34 G A -1.3959
35 G A -1.0691
36 S A -1.3009
37 L A -1.1231
38 R A -2.2840
39 L A 0.0000
40 S A -0.5188
41 C A 0.0000
42 A A -0.2337
43 A A 0.0000
44 S A -0.8822
45 G A -0.9940
46 F A -0.3177
47 T A -0.0489
48 F A 0.0000
49 S A -0.3494
50 Y A 0.1695
51 A A 0.0000
52 M A 0.0000
53 S A 0.0000
54 W A 0.0000
55 V A 0.0000
56 R A 0.0000
57 A A -0.5722
58 P A -1.0463
59 G A -1.1170
60 K A -2.1870
61 G A -1.5551
62 L A 0.0000
63 E A -0.9709
64 W A 0.0000
65 V A 0.0000
66 S A 0.0000
67 A A 0.0000
68 I A 0.0000
69 S A 0.0000
70 G A 0.0000
71 S A -0.7145
72 G A -0.7414
73 G A -0.9358
74 S A -0.7543
75 T A -0.3870
76 Y A -0.4849
77 Y A -0.9021
78 A A 0.0000
79 D A -2.7332
80 S A -1.7502
81 V A 0.0000
82 K A -2.5083
83 G A -1.6066
84 R A 0.0000
85 F A 0.0000
86 T A -0.9781
87 I A 0.0000
88 S A -0.7196
89 R A -1.1914
90 D A -1.7796
91 N A -1.9251
92 S A -1.7219
93 K A -2.4955
94 N A -1.8605
95 T A -1.1649
96 L A 0.0000
97 Y A 0.0000
98 L A 0.0000
99 Q A -1.6521
100 M A 0.0000
101 N A -1.3166
102 S A -1.1346
103 L A 0.0000
104 R A -2.2680
105 A A -1.8939
106 E A -2.3711
107 D A 0.0000
108 T A 0.0000
109 A A 0.0000
110 V A 0.0820
111 Y A 0.0000
112 Y A 0.0000
113 A A 0.0000
114 R A 0.0000
115 S A 0.0000
116 S A 0.0000
117 Y A 0.0591
118 D A -0.2902
119 S A -0.3338
120 S A -0.5529
121 G A 0.0000
122 Y A -0.1608
123 Y A 0.0000
124 A A 0.0000
125 M A 0.0000
126 D A -0.2962
127 Y A 0.0778
128 W A -0.1412
129 G A 0.0000
130 Q A -0.9277
131 G A 0.0000
132 T A 0.0000
133 L A -0.0427
134 V A 0.0000
135 T A 0.0000
136 V A 0.0000
137 S A -1.1889
138 S A -1.5781
139 S A -1.2860
140 G A -1.6511
141 G A -1.5309
142 G A -1.6238
143 G A -1.4481
144 S A -1.2642
145 G A -1.5697
146 G A -1.2623
147 G A -1.2349
148 G A -1.4813
149 S A -1.1274
150 G A -1.2280
151 G A -1.6287
152 G A -1.4190
153 G A -1.8820
154 S A -1.6448
155 D A -2.5787
156 I A 0.0000
157 Q A -2.3642
158 M A 0.0000
159 T A -1.3585
160 Q A 0.0000
161 S A -0.8400
162 P A -0.5972
163 S A -0.6704
164 S A -0.5625
165 L A -0.3515
166 S A -0.9375
167 A A 0.0000
168 S A -0.8005
169 V A 0.0810
170 G A -0.9726
171 D A -1.7919
172 R A -2.2848
173 V A 0.0000
174 T A -0.3525
175 T A 0.0000
176 S A -0.5111
177 C A 0.0000
178 R A -2.8221
179 A A 0.0000
180 S A -2.4915
181 Q A -3.2084
182 D A -3.2343
183 I A 0.0000
184 S A -1.2565
185 N A -0.7310
186 Y A -0.2850
187 L A 0.0000
188 A A 0.0000
189 W A 0.0000
190 Y A 0.0000
191 Q A 0.0000
192 Q A -0.9475
193 K A -1.1560
194 P A -0.7632
195 G A -1.1636
196 K A -1.6909
197 A A -1.0567
198 P A 0.0000
199 K A -1.5392
200 L A 0.0000
201 L A 0.0000
202 I A 0.0000
203 Y A -0.0822
204 Y A -0.0056
205 T A 0.0000
206 S A -0.6441
207 R A -0.8202
208 L A -0.2577
209 Q A -0.6222
210 S A -0.5807
211 G A -0.5817
212 V A 0.0000
213 P A -0.4359
214 S A -0.5136
215 R A -0.7757
216 F A 0.0000
217 S A -0.3259
218 G A -0.2488
219 S A -0.4724
220 G A -0.9114
221 S A -1.3048
222 G A -2.1671
223 D A -3.1076
224 T A -1.9405
225 F A 0.0000
226 T A -0.3257
227 L A 0.0000
228 I A -0.0523
229 S A 0.0000
230 S A -1.3058
231 L A 0.0000
232 Q A -1.1813
233 P A -0.6214
234 E A -1.3937
235 D A 0.0000
236 F A -0.3544
237 A A 0.0000
238 T A -0.4750
239 Y A 0.0000
240 Y A 0.0000
241 C A 0.0000
242 Q A 0.0000
243 Q A 0.0000
244 Y A 0.0000
245 N A -0.8138
246 S A -0.7384
247 Y A -0.3999
248 P A -0.7180
249 Y A 0.0000
250 T A -0.8380
251 F A 0.0000
252 G A 0.0000
253 Q A -1.8684
254 G A 0.0000
255 K A 0.0000
256 T A -0.5120
257 V A 0.0000
258 E A -1.2658
259 I A -0.2769
260 K A -1.7766
261 G A -1.6163
262 G A -1.4704
263 G A -1.3890
264 G A -1.5107
265 G A -1.2072
266 S A -1.0859
267 G A -1.2112
268 G A -1.2023
269 G A -1.2185
270 G A -1.1972
271 S A -1.0588
272 G A -1.2447
273 G A -1.2164
274 G A -1.4142
275 G A -1.4551
276 S A -1.6912
277 E A -2.2311
278 V A -0.9986
279 Q A -1.0858
280 L A 0.0000
281 V A -0.3183
282 E A 0.0000
283 S A -0.6442
284 G A -0.8078
285 G A -0.5773
286 G A -0.5236
287 L A -0.1847
288 V A 0.0000
289 Q A -1.6528
290 P A -1.8251
291 G A -1.3996
292 G A 0.0000
293 S A -1.3065
294 L A -1.0472
295 R A -2.1289
296 L A 0.0000
297 S A -0.5797
298 C A 0.0000
299 A A -0.5995
300 A A 0.0000
301 S A -0.9932
302 G A -1.0852
303 F A -0.4278
304 T A -0.1948
305 F A 0.0000
306 S A -0.6356
307 S A -0.0850
308 Y A 0.3714
309 A A 0.2198
310 M A 0.0000
311 S A 0.0000
312 W A 0.0000
313 V A 0.0000
314 R A 0.0000
315 Q A -0.7878
316 A A -1.0463
317 P A 0.0000
318 G A -1.1741
319 K A -2.2117
320 G A -1.5837
321 L A 0.0000
322 E A -1.0367
323 W A 0.0000
324 V A 0.0000
325 S A 0.0000
326 A A 0.0000
327 I A 0.0000
328 S A -0.3048
329 G A -0.4503
330 S A -0.6707
331 G A -0.7178
332 G A -0.6996
333 S A -0.3060
334 T A 0.0856
335 Y A 0.3067
336 Y A -0.4986
337 A A 0.0000
338 D A -2.6415
339 S A -1.9373
340 V A 0.0000
341 K A -2.5327
342 G A -1.7461
343 R A -1.4993
344 F A 0.0000
345 T A -0.8020
346 I A 0.0000
347 S A -0.4483
348 R A -1.0644
349 D A -1.5442
350 N A -1.7695
351 S A -1.7254
352 K A -2.5375
353 N A -1.9804
354 T A -1.2581
355 L A 0.0000
356 Y A -0.5674
357 L A 0.0000
358 Q A -1.2993
359 M A 0.0000
360 N A -1.5546
361 S A -1.2535
362 L A 0.0000
363 R A -2.2645
364 A A -1.9225
365 E A -2.3598
366 D A 0.0000
367 T A -0.7247
368 A A 0.0000
369 V A 0.1059
370 Y A 0.0000
371 Y A 0.0000
372 C A 0.0000
373 A A 0.0000
374 R A 0.0000
375 S A 0.0000
376 S A 0.7671
377 Y A 1.1821
378 D A 0.2978
379 S A -0.0374
380 S A -0.0317
381 G A 0.2570
382 Y A 0.6175
383 Y A 0.8920
384 A A 0.0000
385 M A 0.0000
386 D A 0.0925
387 Y A 0.3461
388 W A -0.0478
389 G A 0.0000
390 Q A -0.9495
391 G A 0.0000
392 T A 0.0000
393 L A 0.1188
394 V A 0.0000
395 T A 0.0000
396 V A 0.0000
397 S A -1.2314
398 S A -1.6959
399 G A -1.5233
400 G A -1.6201
401 G A -1.4677
402 G A -1.4695
403 S A -1.3202
404 G A -1.6484
405 G A -1.2780
406 G A -1.2090
407 G A -1.4660
408 S A -1.0855
409 G A -1.2162
410 G A -1.5460
411 G A -1.2550
412 G A -1.6186
413 S A -1.2136
414 D A -1.6570
415 I A 0.0000
416 Q A -2.0474
417 M A 0.0000
418 T A -1.3932
419 Q A 0.0000
420 S A -0.6972
421 P A -0.5988
422 S A -0.8666
423 S A -0.9704
424 L A -0.5259
425 S A -0.8769
426 A A 0.0000
427 S A -0.2260
428 V A 0.7082
429 G A -0.7108
430 D A -1.5891
431 R A -2.2519
432 V A 0.0000
433 T A -0.6077
434 I A 0.0000
435 T A -0.7673
436 C A 0.0000
437 R A -2.6681
438 A A 0.0000
439 S A -2.0298
440 Q A -2.4693
441 D A -2.7370
442 I A 0.0000
443 S A -1.1279
444 N A -0.6747
445 Y A -0.1148
446 L A 0.0000
447 A A 0.0000
448 W A 0.0000
449 Y A 0.0000
450 Q A 0.0000
451 Q A 0.0000
452 K A -1.2937
453 P A -0.7991
454 G A -1.1708
455 K A -1.6572
456 A A -0.9581
457 P A 0.0000
458 K A -1.3282
459 L A 0.0000
460 L A 0.0000
461 I A 0.0000
462 Y A 0.1353
463 Y A 0.0817
464 T A 0.0000
465 S A -0.5583
466 R A -0.6301
467 L A -0.0533
468 Q A -0.4533
469 S A -0.4721
470 G A -0.4967
471 V A -0.3263
472 P A -0.3015
473 S A -0.3616
474 R A -0.6944
475 F A 0.0000
476 S A -0.4443
477 G A -0.3904
478 S A -0.7431
479 G A -1.0011
480 S A -1.1986
481 G A -1.6713
482 T A -2.0951
483 D A -2.1743
484 F A 0.0000
485 T A -0.7092
486 L A 0.0000
487 T A -0.6057
488 I A 0.0000
489 S A -1.3202
490 S A -1.1417
491 L A 0.0000
492 Q A -0.8175
493 P A -0.3991
494 E A -1.4061
495 D A 0.0000
496 F A -0.3363
497 A A 0.0000
498 T A -1.0174
499 Y A 0.0000
500 Y A 0.0000
501 C A 0.0000
502 Q A 0.0000
503 Q A 0.0000
504 Y A 0.0000
505 N A -0.6331
506 S A -0.1936
507 Y A 0.3917
508 P A -0.1743
509 Y A 0.0000
510 T A -0.5893
511 F A -0.5004
512 G A 0.0000
513 Q A -1.8805
514 G A 0.0000
515 T A 0.0000
516 K A -1.6521
517 V A 0.0000
518 E A -1.2525
519 I A 0.4027
520 K A -1.3366
521 G A -1.4413
522 G A -1.2434
523 G A -1.3783
524 G A -1.2276
525 G A -1.1358
526 S A -0.9982
527 G A -1.1350
528 G A -1.1704
529 G A -1.1007
530 G A -1.2000
531 S A -1.0479
532 G A -1.0535
533 G A -1.1611
534 G A -1.0550
535 G A -0.9676
536 S A -1.1103
537 T A -0.9784
538 I A 0.0000
539 D A -1.9235
540 Q A -2.2733
541 W A 0.0000
542 L A 0.0000
543 L A -2.0591
544 K A -2.1056
545 N A 0.0000
546 A A 0.0000
547 K A -1.7655
548 E A -1.1053
549 D A -0.9724
550 A A 0.0000
551 I A -1.3994
552 A A -1.6700
553 E A -2.3239
554 L A 0.0000
555 K A -2.8470
556 K A -2.9623
557 A A -1.7663
558 G A -1.7323
559 I A 0.0000
560 T A -0.9522
561 S A -0.5666
562 D A -0.9511
563 F A 0.8523
564 Y A 0.2506
565 F A -0.8914
566 N A -1.4834
567 A A -1.0463
568 I A 0.0000
569 N A -2.5724
570 K A -3.0490
571 A A 0.0000
572 K A -3.2160
573 T A -2.4797
574 V A 0.0000
575 E A -2.5539
576 E A -2.5735
577 V A 0.0000
578 N A -1.7134
579 A A -1.6282
580 L A -1.3322
581 K A -1.7760
582 N A -2.4844
583 E A -2.8129
584 I A 0.0000
585 L A -1.9458
586 K A -2.9176
587 A A -2.1842
588 H A -2.0837
589 A A -2.2467
590 H A -2.9364
591 H A -3.0672
592 H A -2.9039
593 H A -2.9059
594 H A -2.8105
595 H A -2.4131
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Laboratory of Theory of Biopolymers 2018