Project name: 909591e7d64ba29

Status: done

Started: 2026-07-06 06:35:03
Settings
Chain sequence(s) A: METDTLLLWVLLLWVPGSTEVQLVESGGGLVQPGGSLRLSCAASGFTFSYAMSWVRAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYARSSYDSSGYYAMDYWGQGTLVTVSSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTTSCRASQDISNYLAWYQQKPGKAPKLLIYYTSRLQSGVPSRFSGSGSGDTFTLISSLQPEDFATYYCQQYNSYPYTFGQGKTVEIKGGGGGSGGGGSGGGGSEVQLVESGGGLVQPGGSLRLSCAASGFTFSSYAMSWVRQAPGKGLEWVSAISGSGGSTYYADSVKGRFTISRDNSKNTLYLQMNSLRAEDTAVYYCARSSYDSSGYYAMDYWGQGTLVTVSSGGGGSGGGGSGGGGSDIQMTQSPSSLSASVGDRVTITCRASQDISNYLAWYQQKPGKAPKLLIYYTSRLQSGVPSRFSGSGSGTDFTLTISSLQPEDFATYYCQQYNSYPYTFGQGTKVEIKGGGGGSGGGGSGGGGSTIDQWLLKNAKEDAIAELKKAGITSDFYFNAINKAKTVEEVNALKNEILKAHA
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                                          (00:05:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:29)
Show buried residues

Minimal score value
-3.6909
Maximal score value
4.3911
Average score
-0.6754
Total score value
-397.7884

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 -0.1911
2 E A -1.7183
3 T A -1.4065
4 D A -1.6091
5 T A 0.1870
6 L A 2.3514
7 L A 3.3574
8 L A 3.9687
9 W A 4.0531
10 V A 4.3911
11 L A 4.2983
12 L A 4.3384
13 L A 4.0324
14 W A 3.3299
15 V A 2.7277
16 P A 0.8434
17 G A -0.2674
18 S A -0.7421
19 T A -1.3064
20 E A -2.0989
21 V A -1.0119
22 Q A -1.3080
23 L A 0.0000
24 V A 0.3281
25 E A 0.0000
26 S A -0.4216
27 G A -0.8727
28 G A -0.1576
29 G A 0.4096
30 L A 1.3441
31 V A -0.0441
32 Q A -1.3306
33 P A -1.6062
34 G A -1.4099
35 G A -1.0037
36 S A -1.3267
37 L A -1.0865
38 R A -2.2346
39 L A 0.0000
40 S A -0.5216
41 C A 0.0000
42 A A -0.3639
43 A A 0.0000
44 S A -0.9380
45 G A -0.9185
46 F A -0.2873
47 T A -0.1409
48 F A 0.0000
49 S A -0.3718
50 Y A 0.2811
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 -0.4996
58 P A -1.1356
59 G A -1.1086
60 K A -2.2858
61 G A -1.5357
62 L A 0.0000
63 E A -0.9718
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 -0.2936
70 G A -0.4703
71 S A -0.7257
72 G A -0.8387
73 G A -0.7166
74 S A -0.3192
75 T A 0.0640
76 Y A 0.2413
77 Y A -0.5864
78 A A 0.0000
79 D A -2.7546
80 S A -1.8295
81 V A 0.0000
82 K A -2.5191
83 G A -1.7084
84 R A -1.4671
85 F A 0.0000
86 T A -0.8516
87 I A 0.0000
88 S A -0.5410
89 R A -1.1448
90 D A -1.7514
91 N A -2.1315
92 S A -1.7707
93 K A -2.4994
94 N A -1.8709
95 T A -1.1389
96 L A 0.0000
97 Y A -0.5764
98 L A 0.0000
99 Q A -1.5077
100 M A 0.0000
101 N A -1.4392
102 S A -1.2504
103 L A 0.0000
104 R A -2.3268
105 A A -1.7578
106 E A -2.2547
107 D A 0.0000
108 T A -0.5247
109 A A 0.0000
110 V A 0.4637
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 0.5860
118 D A 0.0080
119 S A -0.3898
120 S A -0.2808
121 G A -0.1101
122 Y A 0.8786
123 Y A 1.2743
124 A A 0.0000
125 M A 0.0000
126 D A 0.0532
127 Y A 0.0110
128 W A -0.2409
129 G A 0.0000
130 Q A -1.2514
131 G A 0.0000
132 T A 0.1180
133 L A 0.8675
134 V A 0.0000
135 T A 0.1707
136 V A 0.0000
137 S A -0.5961
138 S A -1.1339
139 S A -1.1708
140 G A -1.3599
141 G A -1.2168
142 G A -1.1598
143 G A -1.1588
144 S A -1.0071
145 G A -1.1505
146 G A -1.2211
147 G A -1.2064
148 G A -1.2043
149 S A -1.0676
150 G A -1.4530
151 G A -1.4281
152 G A -1.3305
153 G A -1.6511
154 S A -1.4571
155 D A -2.0846
156 I A -1.8626
157 Q A -1.9676
158 M A 0.0000
159 T A -1.1930
160 Q A 0.0000
161 S A -0.7119
162 P A -0.3857
163 S A -0.5396
164 S A -0.6563
165 L A -0.5677
166 S A -1.1432
167 A A 0.0000
168 S A -0.6460
169 V A 0.4488
170 G A -0.7553
171 D A -1.8192
172 R A -2.2726
173 V A 0.0000
174 T A -0.4322
175 T A 0.0000
176 S A -0.4959
177 C A 0.0000
178 R A -2.4680
179 A A 0.0000
180 S A -2.2073
181 Q A -2.9296
182 D A -3.0002
183 I A 0.0000
184 S A -1.1707
185 N A -0.5799
186 Y A 0.2160
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 -0.9415
193 K A -1.2719
194 P A -0.7708
195 G A -1.3070
196 K A -1.7131
197 A A -1.0450
198 P A 0.0000
199 K A -1.2841
200 L A 0.0000
201 L A 0.0000
202 I A 0.0000
203 Y A 0.0000
204 Y A 0.0870
205 T A 0.0000
206 S A -1.0502
207 R A -1.7168
208 L A -0.7262
209 Q A -0.8263
210 S A -0.6152
211 G A -0.5133
212 V A -0.3661
213 P A -0.3668
214 S A -0.4496
215 R A -0.7202
216 F A 0.0000
217 S A -0.4584
218 G A -0.4615
219 S A -0.6169
220 G A -0.8732
221 S A -0.9242
222 G A -1.7848
223 D A -2.4835
224 T A -1.6488
225 F A 0.0000
226 T A -0.3561
227 L A 0.0000
228 I A -0.0404
229 S A 0.0000
230 S A -1.2011
231 L A 0.0000
232 Q A -1.0900
233 P A -0.5867
234 E A -1.4460
235 D A 0.0000
236 F A -0.3538
237 A A 0.0000
238 T A -0.5602
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 -0.5363
246 S A -0.3036
247 Y A 0.2051
248 P A -0.3260
249 Y A 0.0000
250 T A -0.7152
251 F A 0.0000
252 G A 0.0000
253 Q A -1.5535
254 G A 0.0000
255 K A 0.0000
256 T A -0.5925
257 V A 0.0000
258 E A -1.5408
259 I A -0.0019
260 K A -1.6571
261 G A -1.8580
262 G A -1.6903
263 G A -1.5796
264 G A -1.2291
265 G A -1.1236
266 S A -0.8760
267 G A -1.0530
268 G A -1.1259
269 G A -1.1220
270 G A -1.0876
271 S A -0.9400
272 G A -1.1463
273 G A -1.1721
274 G A -1.3380
275 G A -1.4273
276 S A -1.5980
277 E A -2.2306
278 V A -1.1303
279 Q A -1.1590
280 L A 0.0000
281 V A 0.2082
282 E A 0.0000
283 S A -0.4901
284 G A -0.9062
285 G A -0.1776
286 G A 0.3467
287 L A 1.2751
288 V A -0.0203
289 Q A -1.3433
290 P A -1.6432
291 G A -1.3386
292 G A -0.9406
293 S A -1.2935
294 L A -1.0583
295 R A -2.2115
296 L A 0.0000
297 S A -0.5830
298 C A 0.0000
299 A A -0.2185
300 A A 0.0000
301 S A -0.9772
302 G A -1.0554
303 F A -0.4392
304 T A -0.1929
305 F A 0.0000
306 S A -0.6211
307 S A -0.0792
308 Y A 0.4087
309 A A 0.2462
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 -0.7160
316 A A -1.1461
317 P A -1.1122
318 G A -1.4410
319 K A -2.3780
320 G A -1.6288
321 L A 0.0000
322 E A -1.1992
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 -0.2954
329 G A -0.4460
330 S A -0.6980
331 G A -0.7719
332 G A -0.7069
333 S A -0.3051
334 T A 0.0909
335 Y A 0.3217
336 Y A -0.4952
337 A A 0.0000
338 D A -2.6758
339 S A -1.7963
340 V A 0.0000
341 K A -2.4527
342 G A -1.7226
343 R A -1.5514
344 F A 0.0000
345 T A -0.8327
346 I A 0.0000
347 S A -0.5086
348 R A -1.1140
349 D A -1.6828
350 N A -1.8138
351 S A -1.7426
352 K A -2.6536
353 N A -1.7998
354 T A 0.0000
355 L A 0.0000
356 Y A -0.6327
357 L A 0.0000
358 Q A -1.4364
359 M A 0.0000
360 N A -1.4314
361 S A -1.1662
362 L A 0.0000
363 R A -2.2110
364 A A -1.7291
365 E A -2.2407
366 D A 0.0000
367 T A -0.4943
368 A A 0.0000
369 V A 0.4891
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 0.7395
377 Y A 1.2276
378 D A 0.1536
379 S A -0.2156
380 S A -0.1672
381 G A 0.1822
382 Y A 0.6731
383 Y A 0.9892
384 A A 0.0000
385 M A 0.0000
386 D A -0.1013
387 Y A -0.0996
388 W A 0.0000
389 G A 0.0000
390 Q A -0.9855
391 G A 0.0000
392 T A 0.0841
393 L A 0.7626
394 V A 0.0000
395 T A 0.1944
396 V A 0.0000
397 S A -0.6013
398 S A -1.3826
399 G A -1.5922
400 G A -1.3792
401 G A -1.2214
402 G A -1.1320
403 S A -0.9924
404 G A -1.1656
405 G A -1.1842
406 G A -1.2075
407 G A -1.1921
408 S A -1.0960
409 G A -1.2162
410 G A -1.4415
411 G A -1.3324
412 G A -1.6564
413 S A -1.4812
414 D A -2.1235
415 I A -1.8985
416 Q A -1.9731
417 M A 0.0000
418 T A -1.2727
419 Q A 0.0000
420 S A -0.6287
421 P A -0.8291
422 S A -1.1630
423 S A -1.5151
424 L A -1.0009
425 S A -1.2282
426 A A 0.0000
427 S A -0.3365
428 V A 0.7421
429 G A -0.6721
430 D A -1.5441
431 R A -2.2768
432 V A 0.0000
433 T A -0.6063
434 I A 0.0000
435 T A -0.7173
436 C A 0.0000
437 R A -2.5894
438 A A 0.0000
439 S A -2.1491
440 Q A -2.8392
441 D A -2.9130
442 I A 0.0000
443 S A -1.2588
444 N A -0.7330
445 Y A -0.1964
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 -1.5305
453 P A -1.1501
454 G A -1.6841
455 K A -2.0967
456 A A -1.2030
457 P A 0.0000
458 K A -1.5226
459 L A 0.0000
460 L A 0.0000
461 I A 0.0000
462 Y A -0.0791
463 Y A -0.0722
464 T A 0.0000
465 S A -0.8875
466 R A -1.3323
467 L A -0.3913
468 Q A -0.6918
469 S A -0.5639
470 G A -0.4970
471 V A -0.3292
472 P A -0.2900
473 S A -0.3523
474 R A -0.6827
475 F A 0.0000
476 S A -0.5516
477 G A -0.5140
478 S A -0.8125
479 G A -0.9817
480 S A -1.2175
481 G A -1.7819
482 T A -2.2150
483 D A -2.2142
484 F A 0.0000
485 T A -0.6916
486 L A 0.0000
487 T A -0.5961
488 I A 0.0000
489 S A -1.2973
490 S A -1.1261
491 L A 0.0000
492 Q A -0.9653
493 P A -0.5592
494 E A -1.3402
495 D A 0.0000
496 F A -0.6300
497 A A 0.0000
498 T A 0.0000
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 -0.7418
506 S A -0.3846
507 Y A 0.2236
508 P A -0.3594
509 Y A 0.0000
510 T A -0.7706
511 F A 0.0000
512 G A 0.0000
513 Q A -1.6819
514 G A 0.0000
515 T A 0.0000
516 K A -2.2832
517 V A 0.0000
518 E A -1.7742
519 I A 0.3664
520 K A -1.4320
521 G A -1.4423
522 G A -1.2705
523 G A -1.4688
524 G A -1.2266
525 G A -1.1929
526 S A -0.9586
527 G A -1.1049
528 G A -1.1632
529 G A -1.0688
530 G A -0.9975
531 S A -0.8653
532 G A -1.0002
533 G A -1.0957
534 G A -1.0856
535 G A -0.7902
536 S A -0.6218
537 T A -0.0779
538 I A 0.9224
539 D A -1.0465
540 Q A -1.5165
541 W A -0.2371
542 L A 0.0537
543 L A -1.7260
544 K A -2.8190
545 N A -2.1687
546 A A -2.1361
547 K A -3.2089
548 E A -3.6311
549 D A -3.6909
550 A A 0.0000
551 I A -2.4866
552 A A -2.6013
553 E A -3.2568
554 L A 0.0000
555 K A -2.9612
556 K A -2.9903
557 A A -1.8504
558 G A -1.7829
559 I A 0.0000
560 T A -0.9784
561 S A -0.5807
562 D A -0.9398
563 F A 0.8561
564 Y A 0.1426
565 F A -1.0586
566 N A -1.2891
567 A A -0.8799
568 I A 0.0000
569 N A -2.7883
570 K A -3.0120
571 A A -2.8012
572 K A -3.0225
573 T A -2.2619
574 V A -1.5458
575 E A -2.4744
576 E A -2.7011
577 V A 0.0000
578 N A -2.0573
579 A A -1.7006
580 L A -1.5043
581 K A -2.0788
582 N A -2.3528
583 E A -2.7797
584 I A 0.0000
585 L A -1.8082
586 K A -2.5848
587 A A -1.6074
588 H A -1.4669
589 A A -0.7847
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Laboratory of Theory of Biopolymers 2018