Project name: b8df5132c0cdb3a

Status: done

Started: 2026-07-20 13:27:55
Settings
Chain sequence(s) A: MTITRKLWVVLVCVVAQYGWADSPRLDAPRTYNELPQRCEAFRGATIDAGLIGADTGTGSGPATVIEASWEESKSLRVSDGGPTPAARIQPALPAYCRLIGRIAPVNAGSSEILFRVNLPLTWNGRLVQYGGGGFNGVLVTGTGLVPGQPADYPVPLARGFVTVGTDSGHQNKPGEPVQRFALDDEALVNFAHASYKKVRDVAIELVRRAYGAPPERQYFVGSSEGGREGLVMAQRYPDAFDGIYSNVPVLNWTGLQHAGLRDGLALARGGWMNRAHTELVGRAVLAACDALDGLADGIVGDPLACRERFDIDALACGAVGAGTPPHGCLTQSQIAAIRTLMSPLVMPFGLANGVREYPGRGPSGEAIPASGPAGGWVSWWLGEMPPDFPPSAPPKNGWGWYYGAGAIQYFFARDPALDVRKYDPREYRDRVMYISRLLDATDPDLSAFAARGGKLIMFEYMGDYAQSPYAGIQYFEGVERRLGADRVAEFARLYVAPNVDHVGTGAPALVDMLDVLVDWVERGRAPATLTVVEQADKPPFAVIRSRPLCRWPEVPRYRGGDQTKAESFVCTR
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:05:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:31)
Show buried residues

Minimal score value
-3.8221
Maximal score value
5.1534
Average score
-0.5481
Total score value
-314.0699

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 1.4765
2 T A 1.0733
3 I A 1.5946
4 T A 0.1349
5 R A -1.2746
6 K A -0.4820
7 L A 2.1544
8 W A 3.0781
9 V A 4.0294
10 V A 4.7786
11 L A 5.1534
12 V A 5.0542
13 C A 4.0259
14 V A 3.9849
15 V A 3.5815
16 A A 1.8283
17 Q A 0.4383
18 Y A 1.4264
19 G A 0.5003
20 W A 1.0081
21 A A -0.2193
22 D A -1.9128
23 S A -1.4047
24 P A -1.7866
25 R A -2.5819
26 L A -1.8220
27 D A -2.5872
28 A A -1.6957
29 P A -1.6372
30 R A -2.3938
31 T A -1.4304
32 Y A 0.0000
33 N A -2.3422
34 E A -2.4943
35 L A 0.0000
36 P A -1.9673
37 Q A -2.6137
38 R A -2.5626
39 C A 0.0000
40 E A -3.0449
41 A A -2.0919
42 F A 0.0000
43 R A -2.4328
44 G A -1.3799
45 A A -0.7133
46 T A -0.9023
47 I A 0.0000
48 D A -1.6871
49 A A -0.6755
50 G A -0.5397
51 L A 0.3698
52 I A 0.0000
53 G A 0.0000
54 A A -0.8711
55 D A -2.0594
56 T A 0.0000
57 G A -1.1293
58 T A -0.4644
59 G A -0.6345
60 S A -0.1476
61 G A 0.0000
62 P A -0.7331
63 A A 0.0000
64 T A -0.7793
65 V A 0.0000
66 I A 0.0194
67 E A -1.1436
68 A A 0.0000
69 S A -1.3020
70 W A -1.0649
71 E A -1.2450
72 E A -2.2307
73 S A -1.6788
74 K A -1.9150
75 S A -1.0065
76 L A -0.9155
77 R A -2.0485
78 V A -1.8553
79 S A -1.8056
80 D A -2.4494
81 G A -1.5869
82 G A -1.0530
83 P A -0.6486
84 T A -0.3941
85 P A -0.6317
86 A A -0.3419
87 A A -0.3592
88 R A -1.6619
89 I A -1.4408
90 Q A -1.1710
91 P A 0.0000
92 A A -0.8044
93 L A 0.0000
94 P A -0.9118
95 A A -1.0228
96 Y A 0.0000
97 C A 0.0000
98 R A -0.5972
99 L A 0.0000
100 I A -0.1206
101 G A 0.0000
102 R A -1.0452
103 I A 0.0000
104 A A -0.3941
105 P A -0.2913
106 V A 0.6165
107 N A -0.9868
108 A A -0.4344
109 G A -0.7790
110 S A -0.8893
111 S A -0.7840
112 E A -1.1069
113 I A 0.0000
114 L A 0.0648
115 F A 0.0000
116 R A -0.1700
117 V A 0.0000
118 N A 0.0000
119 L A 0.0000
120 P A 0.0000
121 L A -0.4147
122 T A -0.8489
123 W A 0.0000
124 N A 0.0000
125 G A -1.5028
126 R A -1.1108
127 L A 0.0000
128 V A 0.0000
129 Q A 0.0000
130 Y A 0.0000
131 G A -0.1386
132 G A 0.0711
133 G A -0.2066
134 G A -0.0407
135 F A 0.0000
136 N A 0.0000
137 G A 0.0000
138 V A 1.5208
139 L A 1.2251
140 V A 0.7913
141 T A 0.3175
142 G A 0.0000
143 T A 0.0000
144 G A -0.1961
145 L A -0.1251
146 V A 0.0000
147 P A -0.0096
148 G A 0.0864
149 Q A 0.0000
150 P A -0.1247
151 A A -1.1606
152 D A -1.6601
153 Y A -0.3822
154 P A -0.4876
155 V A 0.0000
156 P A 0.0000
157 L A 0.0000
158 A A -0.3815
159 R A -0.9271
160 G A 0.0000
161 F A 0.0000
162 V A 0.0000
163 T A 0.0000
164 V A 0.0000
165 G A 0.0000
166 T A 0.0000
167 D A 0.0000
168 S A 0.0000
169 G A 0.0000
170 H A 0.0000
171 Q A -0.6841
172 N A -1.7236
173 K A -2.7650
174 P A -1.9888
175 G A -1.9092
176 E A -2.8045
177 P A -1.5182
178 V A -1.0461
179 Q A 0.0000
180 R A -1.4014
181 F A 0.0000
182 A A 0.0000
183 L A -0.4953
184 D A -1.0794
185 D A -1.4430
186 E A -0.9045
187 A A 0.0000
188 L A 0.0000
189 V A -0.1930
190 N A 0.0000
191 F A 0.0000
192 A A 0.0000
193 H A 0.0000
194 A A 0.0000
195 S A 0.0000
196 Y A 0.0000
197 K A 0.0000
198 K A 0.0000
199 V A 0.0000
200 R A -0.3068
201 D A -0.0205
202 V A 0.0000
203 A A 0.0000
204 I A -0.3306
205 E A -0.7873
206 L A 0.0000
207 V A 0.0000
208 R A -1.6153
209 R A -1.3585
210 A A 0.0000
211 Y A 0.0000
212 G A -1.1145
213 A A -1.1094
214 P A -1.3187
215 P A 0.0000
216 E A -2.2037
217 R A -1.6043
218 Q A -1.0746
219 Y A 0.0000
220 F A 0.0000
221 V A 0.0000
222 G A 0.0000
223 S A -0.1442
224 S A -0.1198
225 E A 0.0000
226 G A 0.0000
227 G A 0.0000
228 R A 0.0000
229 E A 0.0000
230 G A 0.0000
231 L A 0.0000
232 V A 0.0000
233 M A 0.0000
234 A A 0.0000
235 Q A -1.0196
236 R A -1.3895
237 Y A 0.0000
238 P A -1.4025
239 D A -2.2119
240 A A 0.0000
241 F A 0.0000
242 D A -1.1859
243 G A 0.0000
244 I A 0.0000
245 Y A 0.0000
246 S A 0.0000
247 N A 0.0000
248 V A 0.0000
249 P A 0.0000
250 V A 0.1317
251 L A 0.0000
252 N A 0.0000
253 W A 0.0000
254 T A 0.0000
255 G A 0.0000
256 L A 0.1183
257 Q A 0.0000
258 H A 0.0000
259 A A 0.0000
260 G A 0.0000
261 L A 0.0000
262 R A -0.4130
263 D A 0.0000
264 G A 0.0000
265 L A -0.7688
266 A A -0.8517
267 L A 0.0000
268 A A -0.8570
269 R A -2.0019
270 G A -1.4621
271 G A 0.0000
272 W A -0.4283
273 M A 0.0000
274 N A -1.6347
275 R A -2.5873
276 A A -1.5575
277 H A 0.0000
278 T A 0.0000
279 E A -2.2605
280 L A -1.3034
281 V A 0.0000
282 G A 0.0000
283 R A -2.0408
284 A A -1.0676
285 V A 0.0000
286 L A -0.4095
287 A A -0.3352
288 A A -0.7778
289 C A 0.0000
290 D A -0.3289
291 A A 0.0775
292 L A 0.0651
293 D A 0.0000
294 G A -1.0002
295 L A -0.7419
296 A A -0.2786
297 D A -0.8132
298 G A -0.8095
299 I A 0.0000
300 V A 0.0000
301 G A 0.0000
302 D A -0.6343
303 P A 0.0000
304 L A -0.6348
305 A A -1.0591
306 C A 0.0000
307 R A -2.3663
308 E A -3.2213
309 R A -3.1738
310 F A -2.4590
311 D A -3.0429
312 I A 0.0000
313 D A -2.4833
314 A A -1.0973
315 L A -0.6413
316 A A -0.6248
317 C A -0.3027
318 G A -0.1914
319 A A -0.2078
320 V A 0.0094
321 G A -0.3717
322 A A -0.3924
323 G A -0.6116
324 T A -0.5560
325 P A -0.6996
326 P A -0.7783
327 H A -1.2154
328 G A -0.5189
329 C A -0.3520
330 L A 0.0000
331 T A -0.8698
332 Q A -1.4585
333 S A -1.3370
334 Q A 0.0000
335 I A 0.0000
336 A A -1.3938
337 A A 0.0000
338 I A 0.0000
339 R A -2.0231
340 T A -0.9035
341 L A 0.0000
342 M A -0.6841
343 S A -0.3571
344 P A -0.1278
345 L A 0.4514
346 V A 1.0126
347 M A 0.0000
348 P A -0.8101
349 F A -0.8706
350 G A -1.1195
351 L A 0.0000
352 A A 0.0000
353 N A -1.4313
354 G A -1.2295
355 V A -1.0536
356 R A -1.8052
357 E A -0.7804
358 Y A 0.0000
359 P A 0.0000
360 G A 0.0000
361 R A 0.0000
362 G A 0.0000
363 P A 0.0000
364 S A 0.0000
365 G A 0.0000
366 E A 0.0000
367 A A -0.9908
368 I A 0.0000
369 P A -0.2935
370 A A -0.2455
371 S A -0.4803
372 G A -0.8220
373 P A -0.4340
374 A A 0.0000
375 G A 0.0000
376 G A 0.0000
377 W A 0.0000
378 V A -0.8307
379 S A -0.4764
380 W A 0.0000
381 W A 0.0000
382 L A 0.0000
383 G A 0.0000
384 E A -2.1808
385 M A -0.5446
386 P A -0.5389
387 P A 0.0000
388 D A -0.1782
389 F A 0.1803
390 P A 0.0687
391 P A -0.0959
392 S A -0.2663
393 A A -0.3487
394 P A -0.7088
395 P A -1.1454
396 K A -1.6503
397 N A 0.0000
398 G A 0.0000
399 W A 0.0761
400 G A 0.0830
401 W A 0.0000
402 Y A 0.0613
403 Y A 0.3524
404 G A 0.0000
405 A A 0.0000
406 G A 0.0000
407 A A 0.0000
408 I A 0.0000
409 Q A 0.0000
410 Y A -0.5901
411 F A 0.0000
412 F A 0.0000
413 A A -0.9535
414 R A -1.2618
415 D A -1.3182
416 P A -0.8652
417 A A -0.4648
418 L A -0.9791
419 D A -1.3943
420 V A 0.0000
421 R A -2.6768
422 K A -2.7364
423 Y A -2.0582
424 D A -2.4622
425 P A -2.5574
426 R A -3.7719
427 E A -3.5784
428 Y A -2.8961
429 R A -3.8221
430 D A -3.0007
431 R A -2.0098
432 V A 0.0000
433 M A -1.0973
434 Y A -0.6925
435 I A 0.0000
436 S A 0.0000
437 R A -1.7258
438 L A 0.0000
439 L A 0.0000
440 D A 0.0000
441 A A 0.0000
442 T A 0.0000
443 D A -1.4625
444 P A -1.6045
445 D A -1.6274
446 L A 0.0000
447 S A -0.8907
448 A A -0.8003
449 F A 0.0000
450 A A -1.1179
451 A A -0.7468
452 R A -1.5876
453 G A -1.3527
454 G A 0.0000
455 K A -0.7453
456 L A 0.0000
457 I A 0.0000
458 M A 0.0000
459 F A 0.0000
460 E A 0.0000
461 Y A 0.0000
462 M A 0.0000
463 G A 0.0000
464 D A 0.0000
465 Y A 0.0000
466 A A 0.0716
467 Q A 0.0000
468 S A 0.0000
469 P A 0.0000
470 Y A 0.0000
471 A A 0.0000
472 G A 0.0000
473 I A 0.0000
474 Q A -1.4221
475 Y A 0.0000
476 F A 0.0000
477 E A -1.8120
478 G A -2.1008
479 V A 0.0000
480 E A -2.9019
481 R A -3.1668
482 R A -3.1622
483 L A 0.0000
484 G A -2.5387
485 A A -2.5771
486 D A -3.1683
487 R A -3.4039
488 V A 0.0000
489 A A -2.2009
490 E A -2.9497
491 F A 0.0000
492 A A 0.0000
493 R A -0.6423
494 L A 0.0000
495 Y A 0.0000
496 V A 0.0000
497 A A 0.0000
498 P A -0.0230
499 N A 0.0000
500 V A 0.0000
501 D A 0.0000
502 H A 0.0000
503 V A 0.1376
504 G A -0.0140
505 T A -0.1384
506 G A -0.2886
507 A A 0.0000
508 P A 0.0000
509 A A 0.0000
510 L A 0.3969
511 V A 0.2748
512 D A -0.0306
513 M A 0.0000
514 L A 0.0000
515 D A -0.6274
516 V A -0.6042
517 L A 0.0000
518 V A -1.1051
519 D A -2.1943
520 W A 0.0000
521 V A -1.0752
522 E A -1.2395
523 R A -1.9340
524 G A -2.0728
525 R A -2.4152
526 A A -1.5655
527 P A 0.0000
528 A A -0.3031
529 T A -0.0913
530 L A 0.1122
531 T A -0.1789
532 V A 0.0000
533 V A 0.6749
534 E A 0.4619
535 Q A 0.0520
536 A A -0.7402
537 D A -2.7332
538 K A -3.2454
539 P A -1.8626
540 P A -1.1238
541 F A 0.0000
542 A A 0.3959
543 V A 2.1178
544 I A 2.1533
545 R A 0.3139
546 S A -0.2172
547 R A 0.0000
548 P A -0.4876
549 L A 0.0000
550 C A 0.0000
551 R A -0.9110
552 W A -0.7881
553 P A -0.8015
554 E A -1.4305
555 V A -0.8771
556 P A 0.0000
557 R A -1.9349
558 Y A -1.9900
559 R A -2.7842
560 G A -2.2879
561 G A -2.5004
562 D A -3.2793
563 Q A -2.7114
564 T A -1.4295
565 K A -2.1201
566 A A -1.6745
567 E A -2.7355
568 S A 0.0000
569 F A 0.0000
570 V A -0.4282
571 C A -0.4798
572 T A -1.2065
573 R A -2.1229
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Laboratory of Theory of Biopolymers 2018