Project name: 33e49c3d34692a5

Status: done

Started: 2026-07-18 17:49:28
Settings
Chain sequence(s) A: MGVLKFKHIFFRSFVKSSGVSQIVFTFLLIPCCLTLNFRAPPVIPNVPFLWAWNAPSEFCLGKFDEPLDMSLFSFIGSPRINATGQGVTIFYVDRLGYYPYIDSITGVTVNGGIPQKISLQDHLDKAKKDITFYMPVDNLGMAVIDWEEWRPTWARNWKPKDVYKNRSIELVQQQNVQLSLTEATEKAKQEFEKAGKDFLVETIKLGKLLRPNHLWGYYLFPDCYNHHYKKPGYNGSCFNVEIKRNDDLSWLWNESTALYPSIYLNTQQSPVAATLYVRNRVREAIRVSKIPDAKSPLPVFAYTRIVFTDQVLKFLSQDELVYTFGETVALGASGIVIWGTLSIMRSMKSCLLLDNYMETILNPYIINVTLAAKMCSQVLCQEQGVCIRKNWNSSDYLHLNPDNFAIQLEKGGKFTVRGKPTLEDLEQFSEKFYCSCYSTLSCKEKADVKDTDAVDVCIADGVCIDAFLKPPMETEEPQIFYNASPSTLSATMFIWRLEVWDQGISRIGFF
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                                          (00:09:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:09:10)
Show buried residues

Minimal score value
-3.5582
Maximal score value
4.7562
Average score
-0.3665
Total score value
-187.2803

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 1.4792
2 G A 1.1042
3 V A 2.3445
4 L A 1.8754
5 K A -0.1749
6 F A 0.9315
7 K A -0.7001
8 H A 0.3191
9 I A 2.5714
10 F A 2.7228
11 F A 2.7012
12 R A 0.6482
13 S A 1.0528
14 F A 2.0420
15 V A 1.4805
16 K A -0.5646
17 S A -0.2048
18 S A -0.2922
19 G A 0.2144
20 V A 2.2989
21 S A 1.5327
22 Q A 1.4635
23 I A 3.7068
24 V A 4.6516
25 F A 4.5583
26 T A 3.8108
27 F A 4.7562
28 L A 4.5817
29 L A 4.1497
30 I A 3.4429
31 P A 2.4766
32 C A 2.7194
33 C A 2.6072
34 L A 2.6525
35 T A 1.6276
36 L A 1.3541
37 N A 0.3044
38 F A 0.1388
39 R A 0.0000
40 A A -0.1239
41 P A 0.0995
42 P A -0.0672
43 V A 0.4371
44 I A 0.2605
45 P A -0.5058
46 N A -1.2594
47 V A -0.0167
48 P A -0.4070
49 F A 0.0000
50 L A 0.0000
51 W A 0.0000
52 A A 0.0000
53 W A 0.0000
54 N A 0.0000
55 A A 0.0000
56 P A 0.0000
57 S A 0.0000
58 E A -1.1054
59 F A 0.2218
60 C A 0.0000
61 L A -0.7424
62 G A 0.0000
63 K A -1.4853
64 F A -0.1886
65 D A -2.0052
66 E A -2.3815
67 P A -1.5095
68 L A 0.0000
69 D A -1.0755
70 M A -0.3573
71 S A -0.6983
72 L A 0.0000
73 F A 0.0000
74 S A 0.2836
75 F A 0.0000
76 I A 0.8453
77 G A 0.0000
78 S A 0.0000
79 P A -0.0358
80 R A -0.3308
81 I A 0.6641
82 N A -0.4954
83 A A -0.3791
84 T A -0.0815
85 G A -0.3554
86 Q A -0.1270
87 G A 0.0189
88 V A 0.0000
89 T A 0.0000
90 I A 0.0000
91 F A 0.0000
92 Y A -0.1135
93 V A -0.4759
94 D A -1.1751
95 R A 0.0000
96 L A 0.0000
97 G A 0.0000
98 Y A -0.4906
99 Y A 0.0000
100 P A 0.0000
101 Y A 0.1280
102 I A 0.0000
103 D A 0.5188
104 S A 0.6176
105 I A 1.8811
106 T A 1.0466
107 G A 0.8357
108 V A 1.7037
109 T A 0.6651
110 V A 0.4872
111 N A -0.1210
112 G A -0.4157
113 G A 0.0000
114 I A 0.0000
115 P A 0.0000
116 Q A -1.5546
117 K A -1.6360
118 I A -0.9157
119 S A -1.1396
120 L A -1.2090
121 Q A -2.2310
122 D A -2.6849
123 H A 0.0000
124 L A -2.0207
125 D A -2.8574
126 K A -2.4575
127 A A 0.0000
128 K A -2.1531
129 K A -2.3304
130 D A -1.3141
131 I A 0.0000
132 T A -0.2790
133 F A 0.5753
134 Y A 0.0000
135 M A 0.0000
136 P A 0.4650
137 V A 0.8956
138 D A -0.8550
139 N A -1.3230
140 L A -0.3315
141 G A 0.0000
142 M A 0.0000
143 A A 0.0000
144 V A 0.0000
145 I A 0.0000
146 D A -0.2153
147 W A 0.0000
148 E A -0.9123
149 E A -0.8535
150 W A 0.0000
151 R A 0.0000
152 P A 0.0000
153 T A -0.7757
154 W A 0.0000
155 A A -0.0850
156 R A 0.0000
157 N A 0.0000
158 W A -0.4278
159 K A -1.6970
160 P A -1.2765
161 K A -1.1815
162 D A -1.4258
163 V A -0.9530
164 Y A 0.0000
165 K A -1.4933
166 N A -2.1098
167 R A -2.0587
168 S A 0.0000
169 I A -1.7322
170 E A -1.6894
171 L A -1.6223
172 V A 0.0000
173 Q A -1.2950
174 Q A -1.7590
175 Q A -1.8375
176 N A -1.0906
177 V A 0.3273
178 Q A -0.7655
179 L A -0.5619
180 S A 0.0210
181 L A 0.5703
182 T A -0.7426
183 E A -2.3426
184 A A 0.0000
185 T A -2.0752
186 E A -3.2411
187 K A -2.9109
188 A A 0.0000
189 K A -2.9410
190 Q A -3.3064
191 E A -3.0415
192 F A 0.0000
193 E A -2.3951
194 K A -2.8626
195 A A -1.9140
196 G A 0.0000
197 K A -1.6726
198 D A -1.3142
199 F A 0.0000
200 L A 0.0000
201 V A -0.9368
202 E A -1.3681
203 T A 0.0000
204 I A 0.0000
205 K A -0.8639
206 L A -0.3395
207 G A 0.0000
208 K A -0.3246
209 L A 0.9169
210 L A 0.3585
211 R A -0.4333
212 P A -0.8887
213 N A -1.4002
214 H A 0.0000
215 L A -0.0961
216 W A 0.0000
217 G A 0.0000
218 Y A 0.0000
219 Y A 0.0096
220 L A 0.0540
221 F A 0.0000
222 P A 0.0000
223 D A 0.0000
224 C A 0.0000
225 Y A 0.1456
226 N A 0.0000
227 H A -1.4461
228 H A -2.3429
229 Y A -2.0566
230 K A -3.1189
231 K A -3.1412
232 P A -1.8874
233 G A -1.4617
234 Y A -1.5367
235 N A -1.3437
236 G A 0.0000
237 S A -0.3967
238 C A 0.1003
239 F A 0.5535
240 N A -0.6604
241 V A 0.1503
242 E A 0.0000
243 I A -0.8373
244 K A -2.1643
245 R A -1.6572
246 N A 0.0000
247 D A -1.8118
248 D A -2.5190
249 L A 0.0000
250 S A -0.9586
251 W A -0.7411
252 L A 0.0000
253 W A 0.0000
254 N A -1.4429
255 E A -1.1690
256 S A 0.0000
257 T A -0.4208
258 A A 0.0000
259 L A 0.0000
260 Y A 0.0000
261 P A 0.0000
262 S A 0.0000
263 I A 0.0000
264 Y A 0.1238
265 L A 0.0000
266 N A -0.9379
267 T A -1.2202
268 Q A -1.5420
269 Q A -0.9098
270 S A -0.2252
271 P A 0.1132
272 V A 1.5195
273 A A 0.0000
274 A A 0.0000
275 T A 0.1198
276 L A 0.0828
277 Y A 0.0000
278 V A 0.0000
279 R A 0.0000
280 N A -0.7179
281 R A 0.0000
282 V A 0.0000
283 R A -1.0461
284 E A 0.0000
285 A A 0.0000
286 I A 0.0000
287 R A -0.8339
288 V A 0.0000
289 S A 0.0000
290 K A -0.8907
291 I A -0.5615
292 P A -1.1438
293 D A -1.8461
294 A A -1.0617
295 K A -1.5341
296 S A -1.1838
297 P A 0.0000
298 L A -0.4292
299 P A 0.0498
300 V A 0.0000
301 F A 0.0000
302 A A 0.0000
303 Y A 0.0000
304 T A 0.0000
305 R A 0.0000
306 I A 0.0000
307 V A 0.0000
308 F A 0.0000
309 T A -0.6549
310 D A -1.4231
311 Q A -1.1701
312 V A -0.0198
313 L A 0.5349
314 K A -0.9845
315 F A -0.1187
316 L A 0.0000
317 S A -1.2431
318 Q A -1.7164
319 D A -2.3383
320 E A -1.4204
321 L A 0.0000
322 V A -0.7228
323 Y A -0.1689
324 T A 0.0000
325 F A 0.0000
326 G A 0.0000
327 E A 0.0000
328 T A 0.0000
329 V A 0.0000
330 A A 0.0000
331 L A 0.0000
332 G A 0.0000
333 A A 0.0000
334 S A 0.0937
335 G A 0.0000
336 I A 0.0000
337 V A 0.0000
338 I A 0.0000
339 W A 0.1781
340 G A 0.0000
341 T A 0.3749
342 L A 0.6259
343 S A 0.2652
344 I A 0.0000
345 M A 0.0000
346 R A -1.4981
347 S A -0.7557
348 M A -0.0703
349 K A -1.3383
350 S A -0.4273
351 C A 0.0000
352 L A -0.0623
353 L A 0.4848
354 L A 0.0000
355 D A -0.9205
356 N A -0.7399
357 Y A 0.0000
358 M A 0.0000
359 E A -0.9941
360 T A -0.4849
361 I A -0.1659
362 L A 0.0000
363 N A 0.0000
364 P A -0.2165
365 Y A 0.0000
366 I A 0.0000
367 I A 0.0000
368 N A -0.3344
369 V A 0.0000
370 T A 0.0000
371 L A 0.0000
372 A A 0.0000
373 A A -0.1264
374 K A -0.8479
375 M A 0.0000
376 C A 0.0000
377 S A 0.0000
378 Q A -1.7608
379 V A 0.0000
380 L A 0.0000
381 C A 0.0000
382 Q A -2.7091
383 E A -2.6995
384 Q A -1.8932
385 G A 0.0000
386 V A -0.2944
387 C A 0.0000
388 I A 0.0000
389 R A 0.0000
390 K A -2.3263
391 N A -2.2789
392 W A -1.4607
393 N A -1.7940
394 S A -1.3945
395 S A -0.7648
396 D A -1.2526
397 Y A -0.1008
398 L A 0.0000
399 H A -0.4080
400 L A 0.0000
401 N A -1.4354
402 P A -1.4333
403 D A -2.2203
404 N A -2.2293
405 F A 0.0000
406 A A -1.5041
407 I A -0.7751
408 Q A -1.7782
409 L A -1.5539
410 E A -2.9837
411 K A -3.0339
412 G A -2.1717
413 G A -2.1927
414 K A -2.8490
415 F A 0.0000
416 T A -1.4268
417 V A 0.0000
418 R A -2.7045
419 G A -2.7280
420 K A -2.3825
421 P A 0.0000
422 T A -1.2087
423 L A -1.4597
424 E A -2.5800
425 D A 0.0000
426 L A 0.0000
427 E A -3.5582
428 Q A -2.8234
429 F A 0.0000
430 S A -2.5245
431 E A -3.0000
432 K A -2.4567
433 F A 0.0000
434 Y A -0.8700
435 C A -1.0187
436 S A 0.0000
437 C A -0.5196
438 Y A 0.0000
439 S A -0.3511
440 T A -0.1072
441 L A -0.0263
442 S A -0.3733
443 C A -1.6464
444 K A -2.6152
445 E A -2.6004
446 K A -2.3194
447 A A -1.6129
448 D A -2.3631
449 V A 0.0000
450 K A -3.1671
451 D A -3.2451
452 T A 0.0000
453 D A -2.1777
454 A A -1.1240
455 V A 0.0000
456 D A -2.1633
457 V A 0.0000
458 C A -0.6374
459 I A -0.1732
460 A A -0.7744
461 D A -1.9184
462 G A -1.1788
463 V A 0.0000
464 C A -0.9954
465 I A 0.0000
466 D A -2.5678
467 A A -1.1615
468 F A 0.3878
469 L A -0.5593
470 K A -1.0602
471 P A -0.6001
472 P A -0.4585
473 M A -0.4747
474 E A -2.2716
475 T A -2.1245
476 E A -3.3842
477 E A -3.1781
478 P A -1.4207
479 Q A -0.3889
480 I A 2.2447
481 F A 2.8227
482 Y A 2.0209
483 N A 0.1276
484 A A -0.1028
485 S A -0.5065
486 P A -0.6097
487 S A -0.0451
488 T A 0.4772
489 L A 1.3615
490 S A 0.6455
491 A A 0.8133
492 T A 1.3383
493 M A 2.6493
494 F A 3.5098
495 I A 3.4811
496 W A 2.0945
497 R A 0.0185
498 L A 0.9210
499 E A -0.4333
500 V A 1.0543
501 W A 0.5384
502 D A -1.4124
503 Q A -1.2662
504 G A -0.3582
505 I A 0.7587
506 S A -0.0391
507 R A -0.4499
508 I A 1.3900
509 G A 1.5556
510 F A 2.9086
511 F A 3.0044
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Laboratory of Theory of Biopolymers 2018