Project name: 85bbccf93c09628

Status: done

Started: 2025-10-08 07:08:19
Settings
Chain sequence(s) A: AVTVVPDPTCCGTLSFKVPKDAKKGKHLGTFDIRQAIMDYGGLHSQEWCAKGIVNPTFTVRMHAPRNAFAGLSIACTFDDYKRGSGSGNECPPSEMFELPTKVFMLKDADVHEWQFNYGELTGHGLCNWANVATQPTLYFFVASTNQVTMAADWQCIVTMHVDMGPVIDRFELNPTMTWPIQLGDTFAIDRYYEAKEIKLDGSTSMLSISYNFGGPVKHSKKHAISYSRAVMSRNLGWSGTISGSVKSVSSLFCTASFVIFPWECEAPPTLRQVLWGPHQIMHGDGQFEIAIKTRLHSAATTEEGFGRLGILPLSGPIAPDAHVGSYEFIVHINTWRPDSQVHPPMFSSSELYNWFTLTNLKPDANTGVVNFDIPGYIHDFASKDATVTLASNPLSWLVAATGWHYGEVDLCISWSRSKQAQAQEGSVSITTNYRDWGAYWQGQARIYDLRRTEAEIPIFLGSYAGATPSGALGKQNYVRISIVNAKDIVALRVCLRPKSIKFWGRSATLF
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:04:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:04:37)
Show buried residues

Minimal score value
-3.2792
Maximal score value
3.0652
Average score
-0.4651
Total score value
-237.6407

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 A A 1.1071
2 V A 2.6580
3 T A 2.1144
4 V A 2.9362
5 V A 2.5649
6 P A 0.3658
7 D A -0.6622
8 P A -0.4435
9 T A -0.7733
10 C A 0.0000
11 C A 0.0000
12 G A 0.0000
13 T A 0.1367
14 L A 0.2461
15 S A -0.3322
16 F A 0.0000
17 K A -2.3305
18 V A 0.0000
19 P A -2.4114
20 K A -2.3979
21 D A -2.9271
22 A A 0.0000
23 K A -3.2792
24 K A -2.4746
25 G A -1.6432
26 K A -2.2267
27 H A -1.4931
28 L A -0.7872
29 G A -0.4654
30 T A -0.1104
31 F A 0.0000
32 D A -0.9016
33 I A 0.0000
34 R A -1.4922
35 Q A -1.8533
36 A A -1.1099
37 I A 0.0000
38 M A -1.2487
39 D A -1.7908
40 Y A -0.5295
41 G A -0.3427
42 G A -0.4527
43 L A 0.5650
44 H A 0.0000
45 S A -0.7630
46 Q A -1.2150
47 E A -1.1053
48 W A 0.0000
49 C A -0.7040
50 A A -0.9170
51 K A -0.9069
52 G A -0.6484
53 I A -0.3555
54 V A 0.0000
55 N A -0.2459
56 P A 0.0000
57 T A -1.1881
58 F A 0.0000
59 T A -1.1712
60 V A 0.0000
61 R A -1.0824
62 M A 0.0000
63 H A -0.9102
64 A A 0.0000
65 P A -0.8715
66 R A -1.4097
67 N A 0.1238
68 A A 0.0000
69 F A 2.4324
70 A A 0.0000
71 G A 0.0000
72 L A 0.0000
73 S A 0.0000
74 I A 0.0000
75 A A 0.0000
76 C A 0.0000
77 T A 0.0000
78 F A 0.0000
79 D A 0.0000
80 D A -0.7430
81 Y A -0.4597
82 K A -1.2080
83 R A -0.8780
84 G A -1.0998
85 S A -1.0127
86 G A -1.0918
87 S A -0.9832
88 G A -1.1658
89 N A -1.5919
90 E A 0.0000
91 C A -0.9169
92 P A -0.9497
93 P A 0.0000
94 S A 0.0000
95 E A -0.6441
96 M A -0.3054
97 F A -0.2651
98 E A -0.6566
99 L A 0.0000
100 P A -0.6593
101 T A -0.2967
102 K A -0.5904
103 V A 0.0000
104 F A 0.0000
105 M A 0.0000
106 L A -0.9359
107 K A -1.7654
108 D A -1.3610
109 A A -1.4054
110 D A -1.6935
111 V A 0.1648
112 H A 0.0000
113 E A -1.1599
114 W A 0.0000
115 Q A -1.5545
116 F A 0.0000
117 N A -1.2031
118 Y A 0.0000
119 G A 0.0000
120 E A -1.6014
121 L A -0.8285
122 T A 0.0000
123 G A 0.0000
124 H A 0.0000
125 G A 0.0000
126 L A 0.0000
127 C A -0.4196
128 N A -1.0298
129 W A 0.2878
130 A A 0.2451
131 N A 0.4890
132 V A 1.6063
133 A A 0.5563
134 T A -0.1605
135 Q A -1.0809
136 P A 0.0000
137 T A -0.7074
138 L A 0.0000
139 Y A 0.0158
140 F A 0.0000
141 F A 0.0000
142 V A 0.0000
143 A A -1.0715
144 S A 0.0000
145 T A -2.0020
146 N A -1.8334
147 Q A -0.8074
148 V A 0.9729
149 T A -0.6818
150 M A 0.0000
151 A A -0.3348
152 A A -1.1841
153 D A -2.1874
154 W A -1.0601
155 Q A -1.6862
156 C A 0.0000
157 I A 0.4368
158 V A 0.0000
159 T A -0.1684
160 M A 0.0000
161 H A -0.9432
162 V A -1.0283
163 D A -1.8762
164 M A -0.8974
165 G A -0.5256
166 P A 0.1292
167 V A 0.6545
168 I A -0.4420
169 D A -2.2687
170 R A -2.5146
171 F A -1.3998
172 E A -1.7494
173 L A -1.3399
174 N A -1.7012
175 P A -1.1850
176 T A -0.8744
177 M A 0.0000
178 T A -0.6367
179 W A 0.0000
180 P A -0.8867
181 I A -0.6096
182 Q A -1.2613
183 L A -0.9345
184 G A -1.8700
185 D A -2.7848
186 T A -1.7346
187 F A -0.9156
188 A A -1.0225
189 I A 0.0000
190 D A -2.4316
191 R A -1.6473
192 Y A -1.0874
193 Y A 0.0000
194 E A -2.0226
195 A A -1.4737
196 K A -1.1481
197 E A -1.0562
198 I A 0.0000
199 K A -1.5921
200 L A 0.2184
201 D A -1.7054
202 G A -1.3831
203 S A -0.9481
204 T A -0.3559
205 S A -0.2730
206 M A 0.0000
207 L A -0.0509
208 S A 0.0000
209 I A -0.0948
210 S A 0.0000
211 Y A 0.0000
212 N A -1.0005
213 F A 0.0000
214 G A 0.0000
215 G A -0.4157
216 P A -0.5130
217 V A -1.0761
218 K A -1.9741
219 H A -1.4355
220 S A -1.4903
221 K A -1.8172
222 K A -1.1543
223 H A -0.9360
224 A A 0.0000
225 I A 0.0000
226 S A 0.0000
227 Y A -0.0606
228 S A -0.2482
229 R A 0.0000
230 A A 0.0000
231 V A 0.0000
232 M A 0.0000
233 S A 0.0000
234 R A -0.4920
235 N A -0.0092
236 L A 0.3121
237 G A -0.0692
238 W A 0.0000
239 S A 0.0000
240 G A -1.9428
241 T A -1.5081
242 I A 0.0000
243 S A -1.7297
244 G A 0.0000
245 S A -1.7554
246 V A 0.0000
247 K A -1.6650
248 S A -0.7745
249 V A 0.0000
250 S A 0.0000
251 S A 0.0000
252 L A 2.5670
253 F A 3.0652
254 C A 0.0000
255 T A 0.8001
256 A A 0.0000
257 S A 0.0212
258 F A 0.0000
259 V A 0.0000
260 I A 0.0000
261 F A 0.0000
262 P A 0.0000
263 W A -0.4769
264 E A 0.0000
265 C A -0.5795
266 E A -1.6145
267 A A -0.7065
268 P A 0.0000
269 P A -0.7436
270 T A -0.4792
271 L A -0.1839
272 R A -1.3004
273 Q A -0.6352
274 V A 0.0000
275 L A 0.4438
276 W A 0.7382
277 G A 0.0800
278 P A -0.2297
279 H A -0.4640
280 Q A -0.5883
281 I A 0.5157
282 M A 0.0000
283 H A -1.1872
284 G A -1.6612
285 D A -2.5995
286 G A -1.9734
287 Q A -2.3446
288 F A 0.0000
289 E A -2.2429
290 I A 0.0000
291 A A -0.9218
292 I A 0.0000
293 K A -1.3054
294 T A 0.0000
295 R A -1.5521
296 L A -0.2077
297 H A -1.3659
298 S A -0.5390
299 A A 0.0000
300 A A -0.6963
301 T A 0.0000
302 T A -1.1997
303 E A -2.5398
304 E A -2.6100
305 G A -1.3203
306 F A -0.6659
307 G A 0.0000
308 R A 0.0000
309 L A 0.0000
310 G A 0.0000
311 I A 0.0000
312 L A 0.0000
313 P A -0.1427
314 L A 0.4026
315 S A 0.1721
316 G A 0.0892
317 P A 0.0000
318 I A 2.1982
319 A A 1.3329
320 P A -0.0778
321 D A -1.3347
322 A A -0.3483
323 H A 0.6909
324 V A 1.4975
325 G A 0.3116
326 S A -0.4348
327 Y A 0.0000
328 E A 0.0000
329 F A 0.0000
330 I A 0.0000
331 V A 0.0000
332 H A -1.3768
333 I A 0.0000
334 N A -2.1542
335 T A -1.6762
336 W A 0.0000
337 R A -2.7228
338 P A -2.5590
339 D A -2.8920
340 S A -1.7510
341 Q A -1.1413
342 V A 0.7447
343 H A 0.2950
344 P A 0.3263
345 P A 0.3687
346 M A 0.8193
347 F A 1.7035
348 S A 0.4043
349 S A -0.1931
350 S A -0.3166
351 E A -0.7865
352 L A 0.0349
353 Y A 0.0000
354 N A -0.7043
355 W A 0.0000
356 F A 0.0000
357 T A -0.1342
358 L A 0.0000
359 T A -0.4632
360 N A -1.4264
361 L A -1.7571
362 K A -2.9755
363 P A -2.0624
364 D A -2.4285
365 A A -1.6196
366 N A -1.7945
367 T A -0.7088
368 G A -0.5704
369 V A -0.1553
370 V A 0.0000
371 N A -0.9089
372 F A 0.0000
373 D A -0.6804
374 I A 0.0000
375 P A -0.0660
376 G A 0.0000
377 Y A 0.0000
378 I A 0.0000
379 H A -0.8805
380 D A -1.6226
381 F A 0.0000
382 A A -0.6493
383 S A -1.0284
384 K A -2.2406
385 D A -2.5343
386 A A 0.0000
387 T A -0.8642
388 V A -0.2011
389 T A 0.2528
390 L A 0.3617
391 A A -0.1362
392 S A -0.3534
393 N A 0.0000
394 P A 0.0000
395 L A 0.0000
396 S A -0.4390
397 W A 0.0000
398 L A 0.0000
399 V A 0.0000
400 A A -0.2917
401 A A 0.0000
402 T A 0.0000
403 G A 0.0000
404 W A 0.0000
405 H A 0.0000
406 Y A 0.6080
407 G A -0.5679
408 E A -1.4786
409 V A 0.0000
410 D A -1.3863
411 L A 0.0000
412 C A -1.1569
413 I A 0.0000
414 S A -1.3400
415 W A 0.0000
416 S A 0.1381
417 R A 0.0000
418 S A -0.8379
419 K A -2.0071
420 Q A -2.0732
421 A A -1.4011
422 Q A -1.7172
423 A A -1.3730
424 Q A 0.0000
425 E A -2.0066
426 G A -0.2975
427 S A 0.1315
428 V A 0.0000
429 S A -0.2567
430 I A 0.0000
431 T A -0.4691
432 T A 0.0160
433 N A 0.0000
434 Y A 0.7258
435 R A -0.4028
436 D A -0.5144
437 W A 0.8038
438 G A 0.4348
439 A A 0.7144
440 Y A 1.3655
441 W A 1.0327
442 Q A -0.9339
443 G A -1.3985
444 Q A -1.7162
445 A A -0.7096
446 R A -0.7660
447 I A 0.0488
448 Y A -0.0524
449 D A -1.5971
450 L A -1.1756
451 R A -2.5725
452 R A -2.3836
453 T A -1.5343
454 E A -1.4057
455 A A -0.9757
456 E A 0.0000
457 I A 0.6638
458 P A 0.0000
459 I A 0.0000
460 F A 1.9843
461 L A 0.8277
462 G A 0.0000
463 S A 0.0000
464 Y A 0.5510
465 A A 0.5374
466 G A 0.1489
467 A A -0.0583
468 T A -0.5296
469 P A -0.3753
470 S A -0.0546
471 G A 0.2634
472 A A 0.0000
473 L A 1.0814
474 G A 0.0000
475 K A 0.0000
476 Q A 0.0000
477 N A 0.0000
478 Y A 0.0000
479 V A 0.2564
480 R A 0.0000
481 I A 1.3513
482 S A 0.7318
483 I A 1.1647
484 V A 0.0000
485 N A -0.9295
486 A A -0.4870
487 K A -0.8119
488 D A -0.1418
489 I A 1.0219
490 V A 0.7315
491 A A 0.0000
492 L A 0.0000
493 R A -1.0033
494 V A 0.0000
495 C A 0.0000
496 L A 0.0000
497 R A -1.8299
498 P A 0.0000
499 K A -2.4726
500 S A -1.6783
501 I A 0.0000
502 K A -1.2252
503 F A 0.0000
504 W A 0.0000
505 G A 0.0000
506 R A -0.9217
507 S A 0.0000
508 A A 0.0000
509 T A 0.1287
510 L A 0.0000
511 F A 1.0393
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Laboratory of Theory of Biopolymers 2018