Project name: AF-O65572-F1-model_v6

Status: done

Started: 2026-06-18 08:10:16
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
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                                          (00:07:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:42)
Show buried residues

Minimal score value
-3.8781
Maximal score value
1.7695
Average score
-0.6706
Total score value
-360.8037

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 0.3005
2 A A -0.8908
3 E A -2.2662
4 K A -2.4953
5 L A -1.1732
6 S A -0.7398
7 D A -1.1510
8 G A -1.4315
9 S A -1.2586
10 S A -1.7880
11 I A 0.0000
12 I A -0.3750
13 S A -0.1746
14 V A 0.0000
15 H A -1.4648
16 P A -1.7437
17 R A -2.5837
18 P A -1.9361
19 S A -1.4128
20 K A -1.8310
21 G A -0.5763
22 F A 1.0602
23 S A 0.3397
24 S A 0.0000
25 K A -0.7274
26 L A 0.8823
27 L A 0.0000
28 D A 0.2310
29 L A 1.1389
30 L A 1.0274
31 E A 0.0000
32 R A -0.1698
33 L A 1.2359
34 V A 0.0000
35 V A 0.0426
36 K A -0.7803
37 L A 0.9451
38 M A 0.7047
39 H A -0.5268
40 D A -1.2440
41 A A -0.6471
42 S A -0.3090
43 L A -0.0808
44 P A -0.2805
45 L A 0.1027
46 H A -0.5213
47 Y A 0.0000
48 L A -0.1825
49 S A -0.3212
50 G A -0.7510
51 N A 0.0000
52 F A 0.0000
53 A A -0.2958
54 P A -0.9481
55 I A -1.4109
56 R A -2.7608
57 D A -2.9449
58 E A -1.9291
59 T A 0.0000
60 P A -0.9473
61 P A -1.0402
62 V A -0.9849
63 K A -2.9071
64 D A -2.9592
65 L A 0.0000
66 P A -1.2455
67 V A -0.3895
68 H A -0.4983
69 G A -0.0013
70 F A 1.2069
71 L A 0.0000
72 P A 0.0000
73 E A -2.4849
74 C A -1.6656
75 L A 0.0000
76 N A -2.0924
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 -1.6440
88 F A -1.3543
89 D A -1.5700
90 A A -0.4703
91 V A -0.2370
92 A A 0.0000
93 G A 0.0995
94 Y A 0.0000
95 H A 0.0000
96 W A 0.0000
97 F A 0.5916
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 -1.3773
108 I A 0.0000
109 K A -2.8280
110 D A -3.2973
111 G A -2.3141
112 K A -3.1636
113 A A 0.0000
114 T A -1.9364
115 Y A 0.0000
116 V A 0.0000
117 S A 0.0000
118 R A -1.3964
119 Y A 0.0000
120 V A 0.0000
121 K A -0.8227
122 T A 0.0000
123 S A 0.0000
124 R A 0.0000
125 L A 0.0000
126 K A -1.6027
127 Q A 0.0000
128 E A 0.0000
129 E A -1.6543
130 F A -0.5184
131 F A -0.5300
132 G A -0.7802
133 A A -0.6357
134 A A -0.5624
135 K A 0.0000
136 F A 0.0000
137 M A 0.3371
138 K A 0.0000
139 I A 0.6589
140 G A 0.2526
141 D A 0.0000
142 L A 0.4434
143 K A -0.9062
144 G A 0.0000
145 F A 1.7695
146 F A 1.5687
147 G A 0.0000
148 L A 1.2542
149 L A 0.8482
150 M A 0.0000
151 V A 0.5191
152 N A -0.9386
153 V A 0.0000
154 Q A 0.0000
155 Q A -1.7076
156 L A -1.0407
157 R A 0.0000
158 T A -1.9467
159 K A -2.2400
160 L A -1.1106
161 K A -2.7633
162 I A 0.0000
163 L A 0.0000
164 D A -2.2656
165 N A -2.3273
166 T A -1.2101
167 Y A -0.7965
168 G A -1.1468
169 N A -1.5240
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 0.1468
179 H A 0.0000
180 H A -1.1766
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 -0.3040
188 E A -0.3841
189 A A -0.4025
190 D A 0.0000
191 K A -0.5996
192 P A 0.0000
193 Y A 0.0000
194 V A 0.0000
195 I A 0.0000
196 K A -0.7474
197 V A 0.0000
198 L A -1.3675
199 E A -2.7377
200 D A -2.8061
201 G A 0.0000
202 D A -1.2934
203 L A 0.0000
204 Q A -0.9025
205 T A -0.4656
206 L A -0.1175
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 -2.6130
213 K A -2.9897
214 R A -2.3566
215 L A 0.0000
216 T A -0.8506
217 H A -0.3955
218 S A -0.3071
219 F A 0.0000
220 T A 0.0000
221 A A 0.0000
222 H A -0.1471
223 P A -0.0632
224 K A -0.2684
225 V A 0.0955
226 D A 0.0000
227 P A 0.4140
228 V A 1.3747
229 T A 0.1819
230 G A -0.5940
231 E A -0.6773
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 -0.1346
238 S A -0.4633
239 H A -0.8896
240 T A -0.6149
241 P A -0.6064
242 P A -0.4692
243 Y A -0.4050
244 L A 0.0000
245 T A -0.1364
246 Y A 0.0000
247 R A 0.0000
248 V A 0.0000
249 I A 0.0000
250 S A -0.9664
251 K A -2.1563
252 D A -2.3157
253 G A -0.8072
254 I A 0.3445
255 M A 0.0000
256 H A -0.8768
257 D A -2.0071
258 P A -1.5373
259 V A 0.0000
260 P A -0.9190
261 I A 0.0000
262 T A -0.3712
263 I A 0.0000
264 S A -0.5689
265 E A -0.9087
266 P A -0.6119
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 -1.9622
277 T A -0.6783
278 Y A -0.1045
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 -0.2755
289 R A -0.9577
290 P A -1.1556
291 K A -2.6832
292 E A -2.8309
293 M A 0.0000
294 V A -1.3655
295 K A -3.2015
296 E A -3.7986
297 K A -3.3033
298 K A -2.9459
299 M A -1.1949
300 I A -0.4050
301 Y A -0.1864
302 S A -0.4743
303 F A -0.7176
304 D A -0.9056
305 P A -1.4751
306 T A -1.0358
307 K A -2.1023
308 K A -2.7219
309 A A 0.0000
310 R A -1.9014
311 F A 0.0000
312 G A 0.0000
313 V A 0.0000
314 L A 0.0000
315 P A -0.1356
316 R A 0.0000
317 Y A 0.7198
318 A A 0.0000
319 K A -1.9908
320 D A -1.5173
321 E A -0.5479
322 L A 0.9822
323 M A 0.7470
324 I A 0.0000
325 R A -1.3679
326 W A -1.0332
327 F A 0.0000
328 E A -2.5925
329 L A 0.0000
330 P A -1.7018
331 N A -2.1622
332 C A 0.0000
333 F A 0.0000
334 I A 0.0000
335 F A 0.3190
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 -2.3652
343 E A -2.3909
344 E A -2.9877
345 D A -2.8712
346 E A -2.2954
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 -2.9595
356 N A -2.8335
357 P A 0.0000
358 D A -2.5150
359 L A 0.0000
360 D A -1.3276
361 M A -1.2215
362 V A -0.5121
363 S A -0.4980
364 G A -1.1456
365 K A -1.5394
366 V A -0.6208
367 K A -2.8164
368 E A -3.6882
369 K A -3.8781
370 L A -2.9073
371 E A -3.5200
372 N A -2.9967
373 F A 0.0000
374 G A -1.5142
375 N A 0.0000
376 E A -0.7981
377 L A 0.0000
378 Y A 0.0000
379 E A 0.0000
380 M A 0.0000
381 R A -1.2227
382 F A 0.0000
383 N A -2.0179
384 M A -1.9781
385 K A -2.3936
386 T A -1.3720
387 G A -1.5984
388 S A -1.1490
389 A A -0.9890
390 S A -1.1662
391 Q A -1.6139
392 K A -2.5428
393 K A -2.5807
394 L A 0.0000
395 S A 0.0000
396 A A -1.4951
397 S A -0.9510
398 A A -0.6748
399 V A 0.0000
400 D A 0.0000
401 F A 0.1744
402 P A 0.0000
403 R A -0.5832
404 I A 0.0000
405 N A 0.0000
406 E A -1.2679
407 C A 0.1196
408 Y A -0.3994
409 T A -0.6116
410 G A 0.0000
411 K A -1.5994
412 K A -2.1420
413 Q A 0.0000
414 R A -1.1703
415 Y A 0.0000
416 V A 0.0000
417 Y A 0.0000
418 G A 0.0000
419 T A 0.0000
420 I A -0.2280
421 L A 0.0000
422 D A -2.4209
423 S A -1.9680
424 I A -0.4341
425 A A 0.0000
426 K A -0.8666
427 V A 0.0000
428 T A -1.2995
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 -0.8427
436 H A -1.5003
437 A A -1.8176
438 E A -2.5754
439 A A -2.6308
440 E A -3.0095
441 T A -2.2506
442 G A -1.8428
443 K A -2.7239
444 R A -2.3211
445 M A -0.7281
446 L A -0.5355
447 E A -1.3690
448 V A 0.2500
449 G A -1.0284
450 G A -1.7897
451 N A 0.0000
452 I A 0.0000
453 K A -1.1800
454 G A 0.0000
455 I A -0.2896
456 Y A 0.0000
457 D A -2.0061
458 L A 0.0000
459 G A -1.8376
460 E A -2.7103
461 G A -2.0983
462 R A -2.1952
463 Y A -1.1367
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 -1.2144
472 R A -2.0053
473 E A -2.5238
474 T A -1.6513
475 A A -1.4067
476 E A -2.4575
477 E A -1.5689
478 D A 0.0000
479 D A -1.8707
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 -2.1601
489 E A -2.6073
490 N A -2.5452
491 T A -1.6749
492 G A -1.9974
493 K A -2.1694
494 S A 0.0000
495 C A -0.4378
496 V A 0.0000
497 T A 0.0000
498 V A 0.0000
499 I A 0.0000
500 D A -0.9779
501 A A 0.0000
502 K A -2.0880
503 T A -1.0486
504 M A 0.0000
505 S A -1.0803
506 A A -1.1806
507 E A -1.8410
508 P A -0.7871
509 V A -0.0005
510 A A 0.0000
511 V A 0.0048
512 V A 0.0000
513 E A -0.7203
514 L A 0.0000
515 P A -0.7197
516 H A -1.2410
517 R A -1.2122
518 V A 0.0000
519 P A 0.0000
520 Y A 0.0000
521 G A -0.0163
522 F A 0.0000
523 H A 0.0000
524 A A 0.0000
525 L A 0.2957
526 F A 0.0000
527 V A 0.0000
528 T A -1.1197
529 E A -1.8848
530 E A -2.8194
531 Q A -2.1001
532 L A 0.0000
533 Q A -2.3705
534 E A -1.6765
535 Q A 0.0000
536 T A -0.1059
537 L A 1.1725
538 I A 0.6561
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Laboratory of Theory of Biopolymers 2018