Project name: AF-O65572-F1-model_v6 [mutate: FE145A]

Status: done

Started: 2026-06-18 08:33:11
Settings
Chain sequence(s) A: MAEKLSDGSSIISVHPRPSKGFSSKLLDLLERLVVKLMHDASLPLHYLSGNFAPIRDETPPVKDLPVHGFLPECLNGEFVRVGPNPKFDAVAGYHWFDGDGMIHGVRIKDGKATYVSRYVKTSRLKQEEFFGAAKFMKIGDLKGFFGLLMVNVQQLRTKLKILDNTYGNGTANTALVYHHGKLLALQEADKPYVIKVLEDGDLQTLGIIDYDKRLTHSFTAHPKVDPVTGEMFTFGYSHTPPYLTYRVISKDGIMHDPVPITISEPIMMHDFAITETYAIFMDLPMHFRPKEMVKEKKMIYSFDPTKKARFGVLPRYAKDELMIRWFELPNCFIFHNANAWEEEDEVVLITCRLENPDLDMVSGKVKEKLENFGNELYEMRFNMKTGSASQKKLSASAVDFPRINECYTGKKQRYVYGTILDSIAKVTGIIKFDLHAEAETGKRMLEVGGNIKGIYDLGEGRYGSEAIYVPRETAEEDDGYLIFFVHDENTGKSCVTVIDAKTMSAEPVAVVELPHRVPYGFHALFVTEEQLQEQTLI
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues FE145A
Energy difference between WT (input) and mutated protein (by FoldX) 0.629104 kcal/mol
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:06:36)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:06:59)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:13:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:13:24)
Show buried residues

Minimal score value
-4.1818
Maximal score value
1.3584
Average score
-0.6982
Total score value
-375.6302

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 0.2912
2 A A -0.9083
3 E A -2.2791
4 K A -2.4985
5 L A -1.1730
6 S A -0.7397
7 D A -1.1537
8 G A -1.4300
9 S A -1.2597
10 S A -1.7936
11 I A 0.0000
12 I A -0.3926
13 S A -0.1976
14 V A 0.0000
15 H A -1.4591
16 P A -1.6695
17 R A -2.5323
18 P A -1.8709
19 S A -1.3995
20 K A -1.8235
21 G A -0.5574
22 F A 1.0705
23 S A 0.3613
24 S A 0.0000
25 K A -0.7001
26 L A 0.8815
27 L A 0.0000
28 D A 0.2144
29 L A 1.0852
30 L A 0.9879
31 E A 0.0000
32 R A -0.1967
33 L A 1.1287
34 V A 0.0000
35 V A -0.0344
36 K A -0.8610
37 L A 0.8639
38 M A 0.0872
39 H A -0.7659
40 D A -1.7222
41 A A -0.9285
42 S A -0.5778
43 L A -0.4606
44 P A -0.4844
45 L A -0.0352
46 H A -0.5931
47 Y A 0.0000
48 L A -0.2096
49 S A -0.3407
50 G A -0.7548
51 N A 0.0000
52 F A 0.0000
53 A A -0.3033
54 P A -0.9426
55 I A -1.4009
56 R A -2.7419
57 D A -2.9350
58 E A -1.9242
59 T A 0.0000
60 P A -0.9423
61 P A -1.0280
62 V A -0.9768
63 K A -2.8983
64 D A -2.9596
65 L A 0.0000
66 P A -1.4112
67 V A -0.5218
68 H A -0.5786
69 G A -0.0039
70 F A 1.2011
71 L A 0.0000
72 P A 0.0000
73 E A -2.5174
74 C A -1.6821
75 L A 0.0000
76 N A -2.1773
77 G A 0.0000
78 E A 0.0000
79 F A 0.0000
80 V A 0.0000
81 R A 0.0000
82 V A 0.0000
83 G A 0.0000
84 P A 0.0000
85 N A 0.0000
86 P A 0.0000
87 K A -1.6344
88 F A -1.3469
89 D A -1.5663
90 A A -0.4625
91 V A -0.2015
92 A A 0.0000
93 G A 0.0000
94 Y A 0.0000
95 H A 0.0000
96 W A 0.0000
97 F A 0.5345
98 D A 0.0000
99 G A 0.0000
100 D A 0.0000
101 G A 0.0000
102 M A 0.0000
103 I A 0.0000
104 H A 0.0000
105 G A 0.0000
106 V A 0.0000
107 R A -1.4210
108 I A 0.0000
109 K A -3.0219
110 D A -3.3950
111 G A -2.3914
112 K A -3.2330
113 A A 0.0000
114 T A -1.9539
115 Y A 0.0000
116 V A 0.0000
117 S A 0.0000
118 R A -1.4073
119 Y A 0.0000
120 V A 0.0000
121 K A -0.8162
122 T A 0.0000
123 S A 0.0000
124 R A 0.0000
125 L A 0.0000
126 K A -1.5201
127 Q A 0.0000
128 E A 0.0000
129 E A -1.6057
130 F A -0.4800
131 F A -0.5101
132 G A -0.7627
133 A A -0.6282
134 A A -0.5561
135 K A 0.0000
136 F A 0.0000
137 M A 0.3754
138 K A 0.0000
139 I A 0.6574
140 G A 0.2502
141 D A 0.0000
142 L A -0.0527
143 K A -1.7677
144 G A 0.0000
145 E A -1.9644 mutated: FE145A
146 F A 0.0000
147 G A 0.0000
148 L A 0.1138
149 L A 0.0825
150 M A 0.0000
151 V A 0.2170
152 N A -0.8480
153 V A 0.0000
154 Q A 0.0000
155 Q A -1.7003
156 L A -1.0638
157 R A 0.0000
158 T A -1.8477
159 K A -2.1645
160 L A -1.0047
161 K A -2.6652
162 I A 0.0000
163 L A 0.0000
164 D A -2.0486
165 N A -1.8959
166 T A -1.0111
167 Y A -0.6493
168 G A -0.8992
169 N A -1.1693
170 G A 0.0000
171 T A 0.0000
172 A A 0.0000
173 N A 0.0000
174 T A 0.0000
175 A A 0.0000
176 L A 0.0000
177 V A 0.0000
178 Y A 0.1455
179 H A 0.0000
180 H A -1.1857
181 G A 0.0000
182 K A 0.0000
183 L A 0.0000
184 L A 0.0000
185 A A 0.0000
186 L A 0.0000
187 Q A -0.2904
188 E A -0.3598
189 A A -0.3498
190 D A 0.0000
191 K A -0.5646
192 P A 0.0000
193 Y A 0.0000
194 V A 0.0000
195 I A 0.0000
196 K A -0.7710
197 V A 0.0000
198 L A -1.3618
199 E A -2.7162
200 D A -2.7540
201 G A 0.0000
202 D A -1.2859
203 L A 0.0000
204 Q A -0.9299
205 T A -0.4969
206 L A -0.1680
207 G A 0.0000
208 I A 0.0000
209 I A 0.0000
210 D A 0.0000
211 Y A 0.0000
212 D A -2.6199
213 K A -2.9985
214 R A -2.3860
215 L A 0.0000
216 T A -0.8550
217 H A -0.3961
218 S A -0.2935
219 F A 0.0000
220 T A 0.0000
221 A A 0.0000
222 H A -0.1419
223 P A -0.0606
224 K A -0.2706
225 V A 0.0820
226 D A 0.0000
227 P A 0.3867
228 V A 1.3584
229 T A 0.1582
230 G A -0.6581
231 E A -0.6794
232 M A 0.0000
233 F A 0.0000
234 T A 0.0000
235 F A 0.0000
236 G A 0.0000
237 Y A -0.1293
238 S A -0.4529
239 H A -0.8748
240 T A -0.6033
241 P A -0.5936
242 P A -0.4571
243 Y A -0.3909
244 L A 0.0000
245 T A -0.1382
246 Y A 0.0000
247 R A 0.0000
248 V A 0.0000
249 I A 0.0000
250 S A -0.9706
251 K A -2.1728
252 D A -2.3221
253 G A -0.8142
254 I A 0.3357
255 M A 0.0000
256 H A -0.9287
257 D A -2.0588
258 P A -1.5633
259 V A 0.0000
260 P A -0.9222
261 I A 0.0000
262 T A -0.3647
263 I A 0.0000
264 S A -0.5392
265 E A -0.8464
266 P A -0.5805
267 I A 0.0000
268 M A 0.0000
269 M A 0.0000
270 H A 0.0000
271 D A 0.0000
272 F A 0.0000
273 A A 0.0000
274 I A 0.0000
275 T A 0.0000
276 E A -1.9604
277 T A -0.6795
278 Y A -0.1072
279 A A 0.0000
280 I A 0.0000
281 F A 0.0000
282 M A 0.0000
283 D A 0.0000
284 L A 0.0000
285 P A 0.0000
286 M A 0.0000
287 H A 0.0000
288 F A -0.2606
289 R A -0.9275
290 P A -1.1127
291 K A -2.6447
292 E A -2.8123
293 M A 0.0000
294 V A -2.5642
295 K A -3.7950
296 E A -4.1818
297 K A -3.9807
298 K A -2.9158
299 M A -1.1714
300 I A -0.3891
301 Y A -0.1782
302 S A -0.4659
303 F A -0.7179
304 D A -0.9084
305 P A -1.4792
306 T A -1.0408
307 K A -2.1125
308 K A -2.7272
309 A A 0.0000
310 R A -1.9045
311 F A 0.0000
312 G A 0.0000
313 V A 0.0000
314 L A 0.0000
315 P A -0.1352
316 R A 0.0000
317 Y A 0.7218
318 A A 0.0000
319 K A -1.9830
320 D A -1.4845
321 E A -0.5416
322 L A 0.9859
323 M A 0.7438
324 I A 0.0000
325 R A -1.3700
326 W A -1.0243
327 F A 0.0000
328 E A -2.5922
329 L A 0.0000
330 P A -1.7019
331 N A -2.1639
332 C A 0.0000
333 F A 0.0000
334 I A 0.0000
335 F A 0.3205
336 H A 0.0000
337 N A 0.0000
338 A A 0.0000
339 N A 0.0000
340 A A 0.0000
341 W A 0.0000
342 E A -2.4224
343 E A -2.4761
344 E A -3.1047
345 D A -3.0957
346 E A -2.4265
347 V A 0.0000
348 V A 0.0000
349 L A 0.0000
350 I A 0.0000
351 T A 0.0000
352 C A 0.0000
353 R A 0.0000
354 L A 0.0000
355 E A -2.9617
356 N A -2.8342
357 P A 0.0000
358 D A -2.5117
359 L A 0.0000
360 D A -1.3149
361 M A -1.2177
362 V A -0.5139
363 S A -0.5070
364 G A -1.1583
365 K A -1.5806
366 V A -0.6195
367 K A -2.8161
368 E A -3.6929
369 K A -3.8842
370 L A -2.9142
371 E A -3.5232
372 N A -2.9975
373 F A 0.0000
374 G A -1.5199
375 N A 0.0000
376 E A -0.8192
377 L A 0.0000
378 Y A 0.0000
379 E A 0.0000
380 M A 0.0000
381 R A -1.2547
382 F A 0.0000
383 N A -2.1015
384 M A -2.0741
385 K A -2.4624
386 T A -1.4088
387 G A -1.6063
388 S A -1.1553
389 A A -0.9940
390 S A -1.1641
391 Q A -1.6203
392 K A -2.5543
393 K A -2.6305
394 L A 0.0000
395 S A 0.0000
396 A A -1.5407
397 S A -0.9817
398 A A -0.6969
399 V A 0.0000
400 D A 0.0000
401 F A 0.1752
402 P A 0.0000
403 R A -0.5716
404 I A 0.0000
405 N A 0.0000
406 E A -1.3117
407 C A 0.0999
408 Y A -0.4130
409 T A -0.6224
410 G A 0.0000
411 K A -1.5977
412 K A -2.1290
413 Q A 0.0000
414 R A -1.1412
415 Y A -0.8550
416 V A 0.0000
417 Y A 0.0000
418 G A 0.0000
419 T A 0.0000
420 I A -0.2354
421 L A 0.0000
422 D A -2.4482
423 S A -1.9826
424 I A -0.4416
425 A A 0.0000
426 K A -0.8729
427 V A 0.0000
428 T A -1.2921
429 G A 0.0000
430 I A 0.0000
431 I A 0.0000
432 K A 0.0000
433 F A 0.0000
434 D A 0.0000
435 L A -0.8190
436 H A -1.4894
437 A A -1.8187
438 E A -2.5728
439 A A -2.6377
440 E A -3.0174
441 T A -2.2634
442 G A -1.8645
443 K A -2.7747
444 R A -2.3819
445 M A -0.8414
446 L A -0.5927
447 E A -1.4005
448 V A 0.2415
449 G A -1.0213
450 G A -1.7789
451 N A 0.0000
452 I A 0.0000
453 K A -1.1793
454 G A 0.0000
455 I A -0.2971
456 Y A 0.0000
457 D A -1.9971
458 L A 0.0000
459 G A -1.7749
460 E A -2.6545
461 G A -2.0085
462 R A -2.0694
463 Y A -1.0537
464 G A 0.0000
465 S A 0.0000
466 E A 0.0000
467 A A 0.0000
468 I A 0.0000
469 Y A 0.0000
470 V A 0.0000
471 P A -1.2142
472 R A -1.9850
473 E A -2.5127
474 T A -1.6441
475 A A -1.4056
476 E A -2.4859
477 E A -1.5845
478 D A 0.0000
479 D A -1.9540
480 G A 0.0000
481 Y A 0.0000
482 L A 0.0000
483 I A 0.0000
484 F A 0.0000
485 F A 0.0000
486 V A 0.0000
487 H A 0.0000
488 D A 0.0000
489 E A -2.5582
490 N A -2.5139
491 T A -1.7001
492 G A -2.0714
493 K A -2.4965
494 S A 0.0000
495 C A 0.0000
496 V A 0.0000
497 T A 0.0000
498 V A 0.0000
499 I A 0.0000
500 D A -1.0533
501 A A 0.0000
502 K A -2.2837
503 T A -1.1509
504 M A 0.0000
505 S A -1.1132
506 A A -1.1831
507 E A -1.8426
508 P A -0.7904
509 V A -0.0053
510 A A 0.0000
511 V A -0.1419
512 V A 0.0000
513 E A -1.3107
514 L A 0.0000
515 P A -0.8949
516 H A -1.3885
517 R A -1.2930
518 V A 0.0000
519 P A 0.0000
520 Y A 0.0000
521 G A -0.0239
522 F A 0.0000
523 H A 0.0000
524 A A 0.0000
525 L A 0.2954
526 F A 0.0000
527 V A 0.0000
528 T A -1.1343
529 E A -1.9450
530 E A -2.8317
531 Q A -2.1023
532 L A 0.0000
533 Q A -2.3744
534 E A -1.6734
535 Q A 0.0000
536 T A -0.1054
537 L A 1.1741
538 I A 0.6565
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Laboratory of Theory of Biopolymers 2018