Project name: fdc734f8394dbce

Status: done

Started: 2026-04-15 16:24:32
Settings
Chain sequence(s) A: MVTTAPAGSVEGMVVEQSPRAKKVDLNKTRVKISIYKPKTTSATPKKEKVEEGRIIRTDPGAGTGRKGPGPGDNKISNLTAQQQEAQKQVDQIQEQKKMSEIVSANNKMLEQQKADKKGPGPGVNFKQIYYTVSVDAVKNPGDVFQDTVTVEDLKQRGIKKQVYLKLETTSKSDEVEAAFEGPGPGLENATVHMEFKPDAKAPAFYNLFSKKMAVYNNTATLEGRGSDGKQFKKTPDGKATDYRVVVDPVKPAYGPGPGGKYYVYLKDAAHADNIRTKEKKKVGDGYVFEENGVPRYIPAKKKAGKYTTEDGYIFDPRDITSDEGDAYGPGPGLIIQNYWQFSSQIGNFVWIQKKYSGTNFAELGIYITLFFLTPKKGLDLLLPSILFALPHFSSLPSLLDIFIGPGPGAAQRKYDEDQKKTEEKAKETKKARRSEEEYNRLPQQQLPKAEGPGPGKKAYEEAKKKAEDAQKKYDEGQKKTEEKARKKKEVQNAYVKYQRVQRNSRLNEKER
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                                          (00:12:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:16)
Show buried residues

Minimal score value
-6.1974
Maximal score value
3.9825
Average score
-1.4467
Total score value
-740.7239

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 1.8937
2 V A 2.0955
3 T A 1.0087
4 T A 0.5086
5 A A 0.4218
6 P A -0.2910
7 A A -0.1039
8 G A -0.3071
9 S A 0.4379
10 V A 1.0111
11 E A -0.8264
12 G A -0.0170
13 M A 1.2497
14 V A 1.6354
15 V A 0.5460
16 E A -1.5117
17 Q A -1.8512
18 S A -1.8325
19 P A -1.8349
20 R A -2.6523
21 A A -1.7871
22 K A -2.8077
23 K A -2.1165
24 V A -0.2522
25 D A -0.8627
26 L A 0.0391
27 N A -1.6536
28 K A -2.2177
29 T A -1.4009
30 R A -2.0787
31 V A -0.4308
32 K A -0.4336
33 I A 0.9917
34 S A 0.8128
35 I A 1.1175
36 Y A 0.1246
37 K A -2.0590
38 P A -1.9254
39 K A -2.2791
40 T A -1.3696
41 T A -0.7052
42 S A -0.5181
43 A A -0.4253
44 T A -0.9203
45 P A -1.8269
46 K A -3.3907
47 K A -3.7356
48 E A -3.7498
49 K A -3.1523
50 V A -1.2226
51 E A -2.8814
52 E A -3.0526
53 G A -1.7894
54 R A -1.5644
55 I A 1.2929
56 I A 1.5370
57 R A -1.0896
58 T A -1.3083
59 D A -2.5255
60 P A -1.5500
61 G A -1.1392
62 A A -0.5238
63 G A -0.6988
64 T A -1.0808
65 G A -1.9754
66 R A -3.0618
67 K A -3.0622
68 G A -2.0547
69 P A -1.3774
70 G A -1.3413
71 P A -1.5202
72 G A -1.8203
73 D A -2.8219
74 N A -2.6216
75 K A -2.0733
76 I A 0.3204
77 S A -0.8959
78 N A -1.5999
79 L A -0.1049
80 T A -0.7986
81 A A -1.5694
82 Q A -2.8253
83 Q A -3.1785
84 Q A -3.4875
85 E A -4.0228
86 A A -3.1863
87 Q A -3.2159
88 K A -4.0440
89 Q A -3.1360
90 V A -1.5740
91 D A -3.1570
92 Q A -3.3291
93 I A -1.9387
94 Q A -3.3280
95 E A -4.3143
96 Q A -3.7688
97 K A -4.3332
98 K A -3.9749
99 M A -2.1945
100 S A -2.1176
101 E A -2.6175
102 I A -0.7072
103 V A 0.4666
104 S A -0.5299
105 A A -0.5391
106 N A -0.5198
107 N A -1.4054
108 K A -2.3192
109 M A -1.0156
110 L A -1.5394
111 E A -3.6012
112 Q A -3.7413
113 Q A -3.9749
114 K A -4.6302
115 A A -3.6255
116 D A -4.5903
117 K A -4.6462
118 K A -3.8204
119 G A -2.4511
120 P A -1.6595
121 G A -1.5102
122 P A -0.4346
123 G A -0.2697
124 V A 1.1212
125 N A 0.0217
126 F A 0.9196
127 K A -0.4449
128 Q A -0.6044
129 I A 0.0000
130 Y A 0.6504
131 Y A 0.7329
132 T A 0.2263
133 V A 0.1749
134 S A -1.3478
135 V A -1.9382
136 D A -2.5916
137 A A -1.5781
138 V A -1.1886
139 K A -2.3309
140 N A -2.0277
141 P A 0.0000
142 G A -1.9571
143 D A -2.1256
144 V A -0.0726
145 F A -0.5425
146 Q A -1.9719
147 D A -2.6063
148 T A -1.4440
149 V A -1.1290
150 T A -1.5488
151 V A -1.7337
152 E A -2.9608
153 D A -2.5135
154 L A 0.0000
155 K A -4.1356
156 Q A -3.7366
157 R A -3.9280
158 G A -3.3354
159 I A -2.7571
160 K A -3.5350
161 K A -3.2548
162 Q A -1.7567
163 V A 0.0000
164 Y A 0.8385
165 L A 1.2965
166 K A 0.7827
167 L A 0.1776
168 E A -0.1845
169 T A 0.0000
170 T A -0.5680
171 S A -1.9745
172 K A -2.6344
173 S A -2.4672
174 D A -3.2503
175 E A -3.3319
176 V A -1.8224
177 E A -2.5942
178 A A -2.0206
179 A A -1.4099
180 F A -1.2667
181 E A -2.0935
182 G A -1.2615
183 P A -0.6478
184 G A -0.5484
185 P A -0.4292
186 G A -0.5733
187 L A -0.0445
188 E A -1.9414
189 N A -1.5672
190 A A -0.3092
191 T A -0.1613
192 V A -0.4874
193 H A -1.2008
194 M A -1.1236
195 E A -1.7446
196 F A -0.1480
197 K A -1.7361
198 P A -1.5563
199 D A -2.5074
200 A A -1.9028
201 K A -2.1438
202 A A -1.1744
203 P A -0.3241
204 A A 0.2771
205 F A 1.6316
206 Y A 2.2058
207 N A 1.6993
208 L A 2.9231
209 F A 2.3895
210 S A -0.0186
211 K A -0.6264
212 K A -1.1749
213 M A 0.0368
214 A A -0.0303
215 V A 0.2454
216 Y A -0.0140
217 N A -1.5897
218 N A -1.7057
219 T A -0.2905
220 A A 0.1986
221 T A 1.1063
222 L A 0.2615
223 E A -1.9693
224 G A -2.2581
225 R A -3.4614
226 G A -2.5601
227 S A -2.1047
228 D A -3.0217
229 G A -2.7693
230 K A -3.5347
231 Q A -3.5737
232 F A -2.4041
233 K A -3.0600
234 K A -3.2726
235 T A -2.4007
236 P A -1.9530
237 D A -2.8808
238 G A -2.4445
239 K A -2.8151
240 A A -1.7895
241 T A -2.2534
242 D A -1.5388
243 Y A -0.1528
244 R A 0.1661
245 V A 2.9122
246 V A 2.7505
247 V A 2.4164
248 D A 0.0216
249 P A -0.1338
250 V A 0.3950
251 K A -1.0985
252 P A -0.3532
253 A A 0.1436
254 Y A 0.7170
255 G A -0.1125
256 P A -0.5455
257 G A -0.8303
258 P A -1.1065
259 G A -1.1609
260 G A -1.3534
261 K A -1.3388
262 Y A 1.5898
263 Y A 2.7987
264 V A 3.6767
265 Y A 2.3351
266 L A 0.2426
267 K A -1.9804
268 D A -2.6206
269 A A -1.5995
270 A A -1.6730
271 H A -2.3703
272 A A -1.7915
273 D A -2.5444
274 N A -1.9058
275 I A -0.2139
276 R A -1.8699
277 T A -1.6293
278 K A -3.5538
279 E A -4.3848
280 K A -4.0762
281 K A -3.6367
282 K A -2.7336
283 V A -0.8823
284 G A -1.4648
285 D A -2.2989
286 G A 0.0000
287 Y A -1.3554
288 V A -1.5831
289 F A -2.5214
290 E A -3.3592
291 E A -2.4037
292 N A -2.1044
293 G A -1.2166
294 V A 0.0188
295 P A -0.8930
296 R A -1.2598
297 Y A 0.4749
298 I A -0.0943
299 P A -1.2995
300 A A -2.0298
301 K A -2.9209
302 K A -2.8944
303 K A -2.5437
304 A A -1.8933
305 G A -2.0030
306 K A -2.5199
307 Y A 0.0000
308 T A -1.3193
309 T A -1.4643
310 E A -2.6323
311 D A -2.4891
312 G A -1.1857
313 Y A 0.3510
314 I A 0.0323
315 F A -0.3145
316 D A -1.2181
317 P A -2.0620
318 R A -2.7933
319 D A -2.6333
320 I A -1.6212
321 T A -1.3089
322 S A -1.8779
323 D A -2.9400
324 E A -3.3113
325 G A -2.8091
326 D A -2.8071
327 A A -1.3049
328 Y A -0.3965
329 G A -0.8477
330 P A -0.6347
331 G A -0.8483
332 P A -0.0823
333 G A 0.2708
334 L A 1.3803
335 I A 1.9145
336 I A 1.0244
337 Q A -0.1929
338 N A -0.1125
339 Y A 1.4571
340 W A 1.0025
341 Q A -0.7010
342 F A 0.5037
343 S A 0.6368
344 S A -0.2252
345 Q A -0.9921
346 I A 0.1920
347 G A -0.4793
348 N A 0.0146
349 F A 2.9321
350 V A 3.9328
351 W A 3.3947
352 I A 2.5702
353 Q A -0.5587
354 K A -2.2004
355 K A -2.4558
356 Y A -1.2015
357 S A -1.1329
358 G A -0.8562
359 T A -0.8755
360 N A -1.5098
361 F A -0.2041
362 A A -0.1515
363 E A -0.9652
364 L A 0.2735
365 G A 1.2960
366 I A 1.9271
367 Y A 2.1087
368 I A 2.6522
369 T A 2.7341
370 L A 3.0116
371 F A 3.1053
372 F A 3.3036
373 L A 2.8639
374 T A 1.0430
375 P A -0.5141
376 K A -1.9687
377 K A -2.3749
378 G A -0.6016
379 L A 0.4946
380 D A -0.6377
381 L A 1.1512
382 L A 0.0000
383 L A 1.8002
384 P A 1.7305
385 S A 1.6860
386 I A 2.2592
387 L A 2.7076
388 F A 2.7507
389 A A 1.3821
390 L A 1.5184
391 P A 0.2631
392 H A -0.3961
393 F A 0.0162
394 S A -0.0500
395 S A 0.4053
396 L A 1.5708
397 P A 1.1888
398 S A 1.5085
399 L A 2.8843
400 L A 2.8371
401 D A 1.1734
402 I A 3.9825
403 F A 3.8801
404 I A 3.6297
405 G A 1.0485
406 P A -0.3460
407 G A -0.3494
408 P A -1.0344
409 G A -1.5628
410 A A -1.6382
411 A A -1.9122
412 Q A -2.9503
413 R A -3.9603
414 K A -3.9313
415 Y A -2.6687
416 D A -3.9317
417 E A -5.2578
418 D A -5.3609
419 Q A -5.1828
420 K A -5.7567
421 K A -5.8097
422 T A -5.0431
423 E A -5.6650
424 E A -5.8665
425 K A -5.4871
426 A A -4.2490
427 K A -4.8223
428 E A -5.1316
429 T A -4.4301
430 K A -4.6269
431 K A -5.0100
432 A A -4.3226
433 R A -5.1970
434 R A -4.9457
435 S A -4.0253
436 E A -4.8278
437 E A -4.7922
438 E A -3.8422
439 Y A -1.9794
440 N A -2.7797
441 R A -2.3557
442 L A -0.1380
443 P A -0.8376
444 Q A -1.9844
445 Q A -1.9009
446 Q A -1.5373
447 L A 0.0524
448 P A -0.9165
449 K A -2.0108
450 A A -1.6591
451 E A -2.5610
452 G A -1.6026
453 P A -1.4391
454 G A -1.7807
455 P A -1.5816
456 G A -1.9343
457 K A -2.9179
458 K A -3.0516
459 A A -1.6557
460 Y A -1.4157
461 E A -2.9719
462 E A -2.9734
463 A A -2.5100
464 K A -3.4564
465 K A -4.4701
466 K A -4.4364
467 A A -3.9241
468 E A -4.7489
469 D A -4.7678
470 A A -3.7276
471 Q A -4.1677
472 K A -4.8510
473 K A -4.2818
474 Y A -2.7926
475 D A -4.1918
476 E A -4.9262
477 G A -4.0366
478 Q A -4.7445
479 K A -5.5270
480 K A -5.4058
481 T A -4.7536
482 E A -5.8258
483 E A -6.1974
484 K A -5.8262
485 A A -4.7778
486 R A -5.5469
487 K A -5.0267
488 K A -4.7850
489 K A -4.4722
490 E A -2.9894
491 V A -0.9493
492 Q A -1.9326
493 N A -1.8134
494 A A -0.4190
495 Y A 0.8758
496 V A 0.1158
497 K A -1.1910
498 Y A -0.3037
499 Q A -1.3484
500 R A -2.8143
501 V A -2.6504
502 Q A -3.0224
503 R A -3.4508
504 N A -3.0400
505 S A -2.4909
506 R A -3.1477
507 L A -3.4204
508 N A -4.1801
509 E A -4.6799
510 K A -4.4194
511 E A -4.6159
512 R A -4.6120
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018