Project name: 93357d70d66d56e

Status: done

Started: 2025-07-23 08:58:11
Settings
Chain sequence(s) A: MKKQWWKEAVVYQVYPRSFMDGDGDGTGDLQGVLSKLDYLQDLGIDVIWLSPVYESPNDDNGYDISDYQKIMSEFGTMEDFDLLLEEVHDRGMKLIMDLVINHTSDEHPWFLESKSSKQNPYRDYYIWHPGKDGKEPNNWASIFEGSIWEYDEKTKEYYMHVFSKKQPDLNWENPKVRQELYHMVNWWLDKGIDGFRIDAISHIKKAPGYPDLPEIEGRTFVPSLEGHRNQEGIQEFLDELVEETFSHYDIMTVGEANGVGVEEADEWVGEENGKFNMIFQFEHVGLWENSKDGVDIHELKDVFTKWQTALDGKGWNALFLENHDLPRTVSILGDDDSYRVESSKCLATLYFLMQGTPFIYQGQEIGMTNVQFPSIEDYDDVAIKNYYKQETERGVPHEEVMDEIWRTGRDNSRTPMQWSAGPSAGFTTGTPWMKVNPNFKEINVEREQESEDSIFHYYRKLIEMRKQKPALIYGDYTPYLEEHDEIFSYLRRYEGEKYLILTNLSEKEVSFDLSSEFEDAHLCLGNYPGVIDSSFLRPYEARVYNFR
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                                          (00:21:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:21:44)
Show buried residues

Minimal score value
-4.371
Maximal score value
0.9697
Average score
-1.1181
Total score value
-612.7074

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 -0.7431
2 K A -2.3432
3 K A -2.4815
4 Q A -1.8659
5 W A -1.0767
6 W A 0.0000
7 K A -0.6393
8 E A -1.4167
9 A A 0.0000
10 V A 0.0000
11 V A 0.0000
12 Y A 0.0000
13 Q A 0.0000
14 V A 0.0000
15 Y A 0.0000
16 P A 0.0000
17 R A 0.0000
18 S A 0.1332
19 F A 0.0000
20 M A -0.6876
21 D A -1.9230
22 G A -2.1819
23 D A -2.9027
24 G A -2.1602
25 D A -2.5648
26 G A 0.0000
27 T A 0.0000
28 G A 0.0000
29 D A -1.7601
30 L A 0.0000
31 Q A -1.7211
32 G A 0.0000
33 V A 0.0000
34 L A -0.7824
35 S A -1.0319
36 K A -1.1512
37 L A 0.0000
38 D A -2.5895
39 Y A 0.0000
40 L A 0.0000
41 Q A -2.3736
42 D A -2.6494
43 L A 0.0000
44 G A -2.1113
45 I A 0.0000
46 D A -1.4374
47 V A 0.0000
48 I A 0.0000
49 W A 0.0000
50 L A 0.0000
51 S A 0.0000
52 P A 0.0000
53 V A 0.0000
54 Y A 0.0000
55 E A -1.7058
56 S A 0.0000
57 P A -1.4538
58 N A -1.4976
59 D A -2.5422
60 D A -1.3559
61 N A -0.9857
62 G A 0.0000
63 Y A -0.3789
64 D A 0.0000
65 I A 0.0000
66 S A -1.3474
67 D A -1.6335
68 Y A 0.0000
69 Q A -1.8480
70 K A -2.4625
71 I A 0.0000
72 M A 0.0000
73 S A -1.3075
74 E A -1.8548
75 F A 0.0000
76 G A -1.3938
77 T A -1.4496
78 M A -1.4718
79 E A -1.9188
80 D A -1.6014
81 F A 0.0000
82 D A -1.6320
83 L A -0.6825
84 L A 0.0000
85 L A -1.8579
86 E A -3.1947
87 E A -3.1282
88 V A 0.0000
89 H A -3.1830
90 D A -3.6819
91 R A -3.0449
92 G A -2.4081
93 M A 0.0000
94 K A -1.3262
95 L A 0.0000
96 I A 0.0000
97 M A 0.0000
98 D A 0.0000
99 L A 0.0000
100 V A 0.0000
101 I A 0.0000
102 N A 0.0000
103 H A 0.0000
104 T A 0.0000
105 S A 0.0000
106 D A -2.0230
107 E A -2.3562
108 H A 0.0000
109 P A -1.0284
110 W A -0.6806
111 F A 0.0000
112 L A -1.0415
113 E A -1.9079
114 S A 0.0000
115 K A -2.0359
116 S A -1.5684
117 S A -2.1824
118 K A -2.8090
119 Q A -2.3996
120 N A -2.1674
121 P A -1.5104
122 Y A -1.3715
123 R A 0.0000
124 D A -2.5382
125 Y A 0.0000
126 Y A 0.0000
127 I A 0.0000
128 W A -0.8170
129 H A -0.8227
130 P A -1.6136
131 G A -2.6621
132 K A -3.5846
133 D A -3.5553
134 G A -2.8355
135 K A -3.3242
136 E A -2.4250
137 P A -2.1425
138 N A 0.0000
139 N A -1.5790
140 W A 0.0000
141 A A 0.0000
142 S A 0.0000
143 I A 0.6194
144 F A 0.1098
145 E A -0.4621
146 G A -0.8584
147 S A -0.5829
148 I A 0.0000
149 W A 0.0000
150 E A -1.5663
151 Y A -1.7603
152 D A -2.3349
153 E A -3.4953
154 K A -3.5048
155 T A -2.9758
156 K A -3.2697
157 E A -2.2342
158 Y A 0.0000
159 Y A 0.0000
160 M A 0.0000
161 H A 0.0000
162 V A 0.0000
163 F A -0.0531
164 S A -1.3444
165 K A -2.4165
166 K A -2.5270
167 Q A 0.0000
168 P A 0.0000
169 D A 0.0000
170 L A 0.0000
171 N A 0.0000
172 W A 0.0000
173 E A -2.5035
174 N A -2.6121
175 P A -2.2579
176 K A -3.1274
177 V A 0.0000
178 R A -2.5313
179 Q A -2.9319
180 E A -2.7741
181 L A 0.0000
182 Y A -1.9688
183 H A -1.8684
184 M A -1.1483
185 V A 0.0000
186 N A -1.6996
187 W A -1.1170
188 W A 0.0000
189 L A 0.0000
190 D A -2.5427
191 K A -2.5294
192 G A -2.0195
193 I A 0.0000
194 D A -0.6371
195 G A 0.0000
196 F A 0.0000
197 R A 0.0000
198 I A 0.0000
199 D A -0.3284
200 A A -0.2763
201 I A 0.0000
202 S A 0.0000
203 H A -0.5796
204 I A 0.0000
205 K A -1.2291
206 K A 0.0000
207 A A -1.0813
208 P A -0.7245
209 G A -0.8284
210 Y A -0.7072
211 P A -1.2282
212 D A -2.0579
213 L A -1.0774
214 P A -0.8362
215 E A -1.4958
216 I A 0.1847
217 E A -1.9350
218 G A -1.8258
219 R A -2.2231
220 T A -1.2397
221 F A -0.6958
222 V A 0.0000
223 P A -0.6773
224 S A 0.0000
225 L A -1.0213
226 E A -2.1762
227 G A 0.0000
228 H A 0.0000
229 R A -1.6565
230 N A -1.7610
231 Q A -2.0521
232 E A -2.7126
233 G A -1.7304
234 I A 0.0000
235 Q A -2.3942
236 E A -2.7133
237 F A -1.7973
238 L A 0.0000
239 D A -3.2916
240 E A -2.9457
241 L A 0.0000
242 V A 0.0000
243 E A -3.2795
244 E A -3.3218
245 T A 0.0000
246 F A -0.9397
247 S A -1.5191
248 H A -1.8076
249 Y A -1.1824
250 D A -1.7545
251 I A -0.6108
252 M A -0.2300
253 T A 0.0000
254 V A 0.0000
255 G A 0.0000
256 E A 0.0000
257 A A 0.0000
258 N A -0.7673
259 G A -1.4115
260 V A 0.0000
261 G A -2.0433
262 V A -2.2000
263 E A -3.2315
264 E A -3.5038
265 A A 0.0000
266 D A -4.2188
267 E A -3.4853
268 W A 0.0000
269 V A 0.0000
270 G A -3.3219
271 E A -3.2385
272 E A -3.6513
273 N A -3.2675
274 G A 0.0000
275 K A -2.5227
276 F A 0.0000
277 N A -0.4381
278 M A 0.0000
279 I A 0.0000
280 F A 0.0000
281 Q A -0.6710
282 F A -0.9175
283 E A -1.8222
284 H A -1.2000
285 V A 0.0000
286 G A -0.7227
287 L A -0.0678
288 W A 0.3654
289 E A -1.0833
290 N A -2.0904
291 S A -1.9895
292 K A -2.2299
293 D A -2.5964
294 G A -1.3763
295 V A -1.2474
296 D A -2.9969
297 I A -2.2856
298 H A -3.4518
299 E A -3.3171
300 L A 0.0000
301 K A 0.0000
302 D A -2.7966
303 V A -1.6816
304 F A 0.0000
305 T A -1.3674
306 K A -2.0227
307 W A 0.0000
308 Q A 0.0000
309 T A -1.5837
310 A A -2.2585
311 L A 0.0000
312 D A -2.5373
313 G A -2.3313
314 K A -3.3188
315 G A 0.0000
316 W A -0.9007
317 N A 0.0000
318 A A 0.0000
319 L A 0.0000
320 F A 0.0000
321 L A 0.0000
322 E A 0.0000
323 N A 0.0000
324 H A 0.0000
325 D A -0.6437
326 L A 0.0000
327 P A 0.0000
328 R A 0.0000
329 T A 0.0000
330 V A 0.0000
331 S A -1.1404
332 I A -0.6447
333 L A 0.0000
334 G A 0.0000
335 D A -2.9281
336 D A -2.9290
337 D A -2.6299
338 S A -1.4100
339 Y A -1.5122
340 R A -1.5781
341 V A -0.6250
342 E A -0.9869
343 S A 0.0000
344 S A 0.0000
345 K A 0.0000
346 C A 0.0000
347 L A 0.0000
348 A A 0.0000
349 T A 0.0000
350 L A 0.0000
351 Y A 0.0000
352 F A 0.0000
353 L A 0.0000
354 M A 0.0000
355 Q A 0.0000
356 G A 0.0000
357 T A 0.0000
358 P A 0.0000
359 F A 0.0000
360 I A 0.0000
361 Y A 0.0000
362 Q A 0.0000
363 G A 0.0000
364 Q A 0.0000
365 E A 0.0000
366 I A 0.0000
367 G A 0.0000
368 M A 0.0000
369 T A -1.1333
370 N A -0.8740
371 V A -0.9218
372 Q A -1.5320
373 F A -0.9828
374 P A -1.0554
375 S A -1.1439
376 I A -1.5174
377 E A -2.4235
378 D A -1.9774
379 Y A 0.0000
380 D A -1.9919
381 D A -1.2610
382 V A -1.0573
383 A A -0.2726
384 I A -0.6640
385 K A -1.8360
386 N A -1.4422
387 Y A -1.3345
388 Y A -2.1703
389 K A -3.3973
390 Q A -3.4748
391 E A -3.2090
392 T A -3.0963
393 E A -3.7915
394 R A -3.5763
395 G A -2.5518
396 V A -2.1201
397 P A -2.5111
398 H A -3.0080
399 E A -3.7372
400 E A -3.7652
401 V A -2.9189
402 M A 0.0000
403 D A -3.9434
404 E A -3.1472
405 I A 0.0000
406 W A -2.0429
407 R A -3.1536
408 T A 0.0000
409 G A 0.0000
410 R A 0.0000
411 D A 0.0000
412 N A 0.0000
413 S A 0.0000
414 R A 0.0000
415 T A -0.2525
416 P A 0.0000
417 M A 0.0000
418 Q A 0.0000
419 W A -0.6059
420 S A -1.5579
421 A A -1.7382
422 G A -0.8570
423 P A -0.7352
424 S A -0.7828
425 A A 0.0000
426 G A -0.3972
427 F A 0.0000
428 T A 0.0000
429 T A -1.1446
430 G A -1.1833
431 T A -0.6429
432 P A -0.4200
433 W A 0.1605
434 M A -0.5653
435 K A -1.5039
436 V A -0.8152
437 N A -1.2911
438 P A -1.7686
439 N A -2.3963
440 F A -1.9590
441 K A -3.2466
442 E A -3.3007
443 I A 0.0000
444 N A 0.0000
445 V A 0.0000
446 E A -3.4645
447 R A -4.3710
448 E A -3.4889
449 Q A -3.5546
450 E A -4.0761
451 S A -3.4929
452 E A -3.7846
453 D A -2.9401
454 S A -2.3168
455 I A 0.0000
456 F A 0.0000
457 H A -2.2289
458 Y A -1.5980
459 Y A 0.0000
460 R A -1.8695
461 K A -2.6143
462 L A 0.0000
463 I A -1.7250
464 E A -2.7842
465 M A -1.8593
466 R A 0.0000
467 K A -3.1223
468 Q A -2.4843
469 K A -1.5976
470 P A -1.1089
471 A A 0.0000
472 L A 0.0000
473 I A 0.0000
474 Y A 0.7227
475 G A 0.0000
476 D A -1.3642
477 Y A 0.0000
478 T A -0.4419
479 P A -0.1443
480 Y A 0.1705
481 L A -0.5061
482 E A -2.4465
483 E A -2.8055
484 H A -2.2518
485 D A -3.2360
486 E A -2.3148
487 I A 0.0000
488 F A 0.0000
489 S A 0.0000
490 Y A 0.0000
491 L A 0.0000
492 R A 0.0000
493 R A -2.6159
494 Y A -2.0294
495 E A -2.9229
496 G A -2.5410
497 E A -2.9531
498 K A -2.8784
499 Y A 0.0000
500 L A 0.0000
501 I A 0.0000
502 L A 0.0000
503 T A 0.0000
504 N A 0.0000
505 L A 0.0000
506 S A -2.6302
507 E A -3.7463
508 K A -3.8819
509 E A -3.1988
510 V A -1.4101
511 S A -0.4170
512 F A 0.0000
513 D A -1.6094
514 L A -1.4161
515 S A -0.8495
516 S A -1.5053
517 E A -2.4973
518 F A -2.2353
519 E A -3.5902
520 D A -3.4758
521 A A -2.1598
522 H A -1.2167
523 L A 0.6099
524 C A 0.1685
525 L A 0.0000
526 G A 0.3974
527 N A 0.0000
528 Y A -0.1488
529 P A -0.0814
530 G A 0.2999
531 V A 0.9269
532 I A 0.9697
533 D A -1.0309
534 S A -0.6718
535 S A 0.0000
536 F A 0.8236
537 L A 0.0000
538 R A -2.6345
539 P A -2.6230
540 Y A 0.0000
541 E A 0.0000
542 A A 0.0000
543 R A 0.0000
544 V A 0.0000
545 Y A 0.0000
546 N A -1.5259
547 F A -2.5415
548 R A -3.4203
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018