Project name: 7.9fl

Status: done

Started: 2026-07-12 08:17:53
Settings
Chain sequence(s) A: MAEGSWTPTAELPLRQDPAVDDDLPQVVVQEKQHGGGAAARTAMATATATRDGSVGWSGKPCRRDRSGGWFAGFLMLANQALVTFAVNCVGTNLVTFMSVVMRLDNADAANKANNWAGTTYVFSIVGALVSDSYWGRYKACTIFQLIFLAGLVELAVACHVFLDKSCHFGGGGGGRQEHCRPPTTAQSLVFYVSIYQIALGNGAYQPAVTTFGADQFDETDARERRSKAAFFGYFFVANNLGGVLAVTALAYMEDEGQWVLAFWIATAAALLGFLLFAVGTIRYRHFLPSGNAVVSVCQVVVAAVRNRRVRATVRAQDMYDPDTDGDRGKKGVRKMVHTPEYRCLDKAAVIKDPASAFRAPAGQPQGHSSSKPNPWRLCTLTQVEELKCILRLVPIWLCSILYSTSYSQMSSVFIEQAQTMDDSLSKLTIPPAGMDVFEILGVTAFVFIYRFCIVRVMAKISHEPTELQRMGTGLVISAAAMVASGVVEQQRLARATAGVDASSSLSILWQIPQYLLIGASEVFMYVTMTEFFNDQLPEGLRSLGSAMSVASMSAGSFASSLLVTLVMAITCRGGRPGWIPQDLNKGHVDWFFYLIAALNAVDLLAFVVFAKRYRPAPVIIHGEDETGGVEKAQDAEECI
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]                                                (00:00:01)
[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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:07:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:25)
Show buried residues

Minimal score value
-3.9876
Maximal score value
2.9505
Average score
-0.2665
Total score value
-170.5375

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 0.6086
2 A A -0.3491
3 E A -1.7017
4 G A -1.0564
5 S A -0.3299
6 W A 0.7004
7 T A 0.2639
8 P A -0.2216
9 T A -0.4595
10 A A -0.5597
11 E A -0.9720
12 L A 0.6893
13 P A 0.1990
14 L A 0.1697
15 R A -2.0136
16 Q A -2.6476
17 D A -2.5731
18 P A -1.1889
19 A A -0.3672
20 V A 0.1266
21 D A -2.0733
22 D A -2.8212
23 D A -2.3736
24 L A -0.1305
25 P A -0.0407
26 Q A 0.4124
27 V A 2.4986
28 V A 2.5617
29 V A 1.6737
30 Q A -1.0412
31 E A -2.9052
32 K A -3.6190
33 Q A -3.3207
34 H A -2.6163
35 G A -1.7191
36 G A -1.7668
37 G A -1.4072
38 A A -0.8616
39 A A -0.6805
40 A A -0.8575
41 R A -1.6722
42 T A -0.6746
43 A A -0.1144
44 M A 0.2290
45 A A -0.2249
46 T A -0.2449
47 A A -0.0886
48 T A -0.8043
49 A A -1.2311
50 T A 0.0000
51 R A -1.7294
52 D A -1.1235
53 G A -1.2107
54 S A 0.0000
55 V A -0.3587
56 G A -0.3611
57 W A 0.8000
58 S A -0.2412
59 G A -0.8393
60 K A -1.9816
61 P A -1.4706
62 C A 0.0000
63 R A -2.3424
64 R A -2.3182
65 D A -3.0785
66 R A -3.0525
67 S A -1.5070
68 G A -0.5228
69 G A 0.1889
70 W A 1.8231
71 F A 2.4373
72 A A 0.0000
73 G A 0.0000
74 F A 2.8388
75 L A 2.1791
76 M A 0.0000
77 L A 0.0000
78 A A 0.8269
79 N A 0.0000
80 Q A 0.0000
81 A A 0.3381
82 L A 0.8554
83 V A 0.0000
84 T A 0.0000
85 F A 0.8246
86 A A 0.0000
87 V A 0.0547
88 N A 0.1780
89 C A 0.0000
90 V A 0.0000
91 G A -0.1558
92 T A 0.0911
93 N A -0.1875
94 L A 0.0000
95 V A -0.3384
96 T A -0.2463
97 F A 0.0000
98 M A 0.0000
99 S A -1.3366
100 V A -1.3426
101 V A 0.0000
102 M A 0.0000
103 R A -2.6988
104 L A -2.1634
105 D A -3.2521
106 N A -2.8805
107 A A -2.2385
108 D A -3.4578
109 A A 0.0000
110 A A -2.1871
111 N A -3.2014
112 K A -2.5160
113 A A -1.8365
114 N A -2.6983
115 N A -2.4879
116 W A 0.0000
117 A A -0.7929
118 G A -0.5178
119 T A 0.3815
120 T A 0.8172
121 Y A 1.7185
122 V A 2.6764
123 F A 2.0809
124 S A 0.0000
125 I A 2.2186
126 V A 2.2428
127 G A 0.0000
128 A A 0.0000
129 L A 1.4773
130 V A 1.1311
131 S A 0.0000
132 D A 0.0000
133 S A 0.0000
134 Y A 1.5693
135 W A 1.1843
136 G A 0.0000
137 R A 0.0000
138 Y A -0.2113
139 K A -0.5664
140 A A 0.0000
141 C A 0.0000
142 T A 0.3360
143 I A 0.9200
144 F A 0.0000
145 Q A 0.0000
146 L A 1.7170
147 I A 1.2095
148 F A 0.0000
149 L A 0.9953
150 A A 0.5822
151 G A 0.0000
152 L A 0.0000
153 V A 0.7249
154 E A -0.2056
155 L A 0.0000
156 A A 0.0000
157 V A 0.8425
158 A A 0.0000
159 C A 0.0000
160 H A -0.2497
161 V A 0.5255
162 F A 0.4104
163 L A 0.0000
164 D A -1.8190
165 K A -2.2740
166 S A -1.8501
167 C A 0.0000
168 H A -2.2788
169 F A -1.8899
170 G A -1.6740
171 G A -1.3494
172 G A -1.1795
173 G A -1.6713
174 G A -1.8166
175 G A -2.3151
176 R A -3.4455
177 Q A -3.0515
178 E A -3.3817
179 H A -2.8520
180 C A -2.6632
181 R A -2.9939
182 P A -1.7460
183 P A -0.7338
184 T A -0.1344
185 T A 0.2915
186 A A 0.6823
187 Q A 0.8346
188 S A 0.9193
189 L A 2.0487
190 V A 1.4402
191 F A 0.0000
192 Y A 1.4825
193 V A 1.7348
194 S A 0.0000
195 I A 0.0000
196 Y A 0.8125
197 Q A 0.4084
198 I A 0.0000
199 A A 0.0000
200 L A 0.9814
201 G A 0.0000
202 N A 0.2236
203 G A 0.0000
204 A A 0.0000
205 Y A 0.0000
206 Q A -0.2561
207 P A 0.0000
208 A A 0.0000
209 V A 0.0000
210 T A 0.0000
211 T A 0.0000
212 F A 0.0000
213 G A 0.0000
214 A A 0.0000
215 D A 0.0000
216 Q A 0.0000
217 F A 0.0000
218 D A 0.0000
219 E A -1.7110
220 T A -1.0095
221 D A -1.7976
222 A A -1.9583
223 R A -3.0146
224 E A 0.0000
225 R A -3.0707
226 R A -3.2032
227 S A -1.8346
228 K A 0.0000
229 A A -0.9837
230 A A -0.5764
231 F A 0.0000
232 F A 0.0000
233 G A 0.0000
234 Y A 1.0160
235 F A 0.0000
236 F A 0.2970
237 V A 0.0000
238 A A 0.0000
239 N A -0.1845
240 N A 0.5605
241 L A 1.1745
242 G A 0.0000
243 G A 0.9077
244 V A 1.4310
245 L A 1.9454
246 A A 0.0000
247 V A 1.7649
248 T A 1.3992
249 A A 1.1822
250 L A 0.0000
251 A A 0.3455
252 Y A 0.4348
253 M A -0.4234
254 E A 0.0000
255 D A -2.5630
256 E A -2.8404
257 G A 0.0000
258 Q A -0.9913
259 W A 0.0000
260 V A 0.6154
261 L A 1.3992
262 A A 0.0000
263 F A 0.0000
264 W A 1.4051
265 I A 1.3920
266 A A 0.0000
267 T A 0.0000
268 A A 1.1252
269 A A 1.2259
270 A A 0.0000
271 L A 2.1899
272 L A 2.1348
273 G A 0.0000
274 F A 2.2352
275 L A 2.8935
276 L A 2.4705
277 F A 0.0000
278 A A 2.0430
279 V A 2.6103
280 G A 0.0000
281 T A 1.4198
282 I A 1.8549
283 R A 0.0592
284 Y A 0.0000
285 R A 0.0000
286 H A 0.1173
287 F A 0.7207
288 L A 1.6052
289 P A 0.9123
290 S A 0.0697
291 G A 0.3905
292 N A 0.6476
293 A A 0.9691
294 V A 2.2166
295 V A 1.8390
296 S A 1.2092
297 V A 1.6016
298 C A 1.7836
299 Q A 0.0000
300 V A 0.0000
301 V A 1.5902
302 V A 0.4975
303 A A 0.0000
304 A A 0.0000
305 V A -0.4901
306 R A -2.1969
307 N A 0.0000
308 R A -3.0240
309 R A -3.2331
310 V A -2.4336
311 R A -2.5411
312 A A -1.3609
313 T A -0.5866
314 V A 0.0467
315 R A -1.6350
316 A A -1.2151
317 Q A -1.9231
318 D A -1.3033
319 M A 0.0000
320 Y A -0.2850
321 D A -1.3388
322 P A -1.8842
323 D A -3.0565
324 T A -2.5640
325 D A -3.0646
326 G A -2.7108
327 D A -3.3805
328 R A -3.8630
329 G A -2.9567
330 K A -3.5036
331 K A -3.6304
332 G A -1.8969
333 V A -0.7026
334 R A -0.4162
335 K A 0.2329
336 M A 0.0000
337 V A 0.8373
338 H A -0.1325
339 T A 0.0000
340 P A -0.6987
341 E A -0.9652
342 Y A -0.2810
343 R A -1.3333
344 C A -0.3664
345 L A 0.0000
346 D A 0.0000
347 K A -1.2863
348 A A 0.0000
349 A A 0.0000
350 V A -0.5363
351 I A -0.3751
352 K A -1.9031
353 D A -1.5042
354 P A -0.8669
355 A A -0.6713
356 S A -1.1346
357 A A 0.0000
358 F A -0.7304
359 R A -2.0027
360 A A -1.7959
361 P A -1.0025
362 A A -1.0035
363 G A -1.2854
364 Q A -2.0775
365 P A -1.8592
366 Q A -2.3767
367 G A -1.8425
368 H A -1.9175
369 S A -1.4735
370 S A -1.3270
371 S A -1.2071
372 K A -1.7526
373 P A 0.0000
374 N A -1.2906
375 P A -0.5288
376 W A -0.3118
377 R A -1.5498
378 L A 0.0000
379 C A 0.0000
380 T A -0.3474
381 L A 0.0000
382 T A -0.3714
383 Q A -0.2391
384 V A 0.0000
385 E A 0.0000
386 E A -0.1537
387 L A 0.0000
388 K A 0.0000
389 C A 0.0000
390 I A 0.5877
391 L A 0.8772
392 R A 0.0000
393 L A 0.0000
394 V A 1.2397
395 P A 1.1007
396 I A 0.0000
397 W A 1.1609
398 L A 1.6504
399 C A 0.0000
400 S A 0.0000
401 I A 1.1650
402 L A 1.0279
403 Y A 0.0000
404 S A 0.0000
405 T A 0.0000
406 S A 0.0000
407 Y A 0.2711
408 S A 0.2260
409 Q A 0.0000
410 M A 0.0000
411 S A -0.3220
412 S A -0.2688
413 V A 0.0000
414 F A 0.0000
415 I A -0.5221
416 E A -1.2043
417 Q A 0.0000
418 A A 0.0000
419 Q A -1.6814
420 T A -1.4242
421 M A 0.0000
422 D A -1.2456
423 D A -1.1141
424 S A -0.4353
425 L A 0.3734
426 S A -0.3632
427 K A -0.8794
428 L A 0.7324
429 T A 0.0703
430 I A 0.0097
431 P A -0.4622
432 P A -0.8238
433 A A -0.1809
434 G A 0.1408
435 M A 0.0000
436 D A 0.3486
437 V A 1.3650
438 F A 1.3852
439 E A 0.0000
440 I A 1.3840
441 L A 1.9506
442 G A 0.0000
443 V A 0.0000
444 T A 1.3092
445 A A 1.4199
446 F A 1.9222
447 V A 0.0000
448 F A 2.3971
449 I A 2.3359
450 Y A 1.6215
451 R A 1.3141
452 F A 2.4466
453 C A 1.8706
454 I A 1.3056
455 V A 0.0120
456 R A -0.6858
457 V A 0.4720
458 M A 0.0526
459 A A -0.8135
460 K A -1.0140
461 I A 0.9269
462 S A -0.0614
463 H A -1.0941
464 E A -1.1436
465 P A -0.8793
466 T A -0.5532
467 E A -0.8727
468 L A -0.6568
469 Q A -1.2271
470 R A -0.7622
471 M A 0.0000
472 G A 0.2747
473 T A 0.1816
474 G A 0.0000
475 L A 0.0000
476 V A 1.6742
477 I A 1.2701
478 S A 0.0000
479 A A 1.1450
480 A A 1.0012
481 A A 0.0000
482 M A 0.0000
483 V A 1.5799
484 A A 0.9455
485 S A 0.0000
486 G A 0.0000
487 V A 1.0569
488 V A 0.0000
489 E A 0.0000
490 Q A -0.4920
491 Q A -0.4652
492 R A 0.0000
493 L A -0.5760
494 A A -0.5641
495 R A -1.0330
496 A A -0.6101
497 T A -0.4215
498 A A -0.2262
499 G A -0.1091
500 V A 0.5392
501 D A -1.3845
502 A A -0.6778
503 S A -1.0394
504 S A 0.0000
505 S A -0.8375
506 L A 0.0000
507 S A -0.2412
508 I A 0.0000
509 L A 0.6727
510 W A 0.8450
511 Q A 0.0000
512 I A 0.9657
513 P A 0.5982
514 Q A 0.0000
515 Y A 0.0000
516 L A 1.4067
517 L A 1.0790
518 I A 0.0000
519 G A 0.0000
520 A A 0.0000
521 S A 0.0000
522 E A 0.0000
523 V A 0.0000
524 F A 0.0000
525 M A 0.0000
526 Y A 0.0000
527 V A 0.0000
528 T A 0.0000
529 M A 0.0000
530 T A 0.0000
531 E A -0.5160
532 F A 0.0000
533 F A 0.0000
534 N A 0.0000
535 D A -1.1776
536 Q A -0.8507
537 L A 0.0000
538 P A -0.6452
539 E A -0.8036
540 G A -0.2876
541 L A 0.0000
542 R A 0.0000
543 S A 0.0000
544 L A 0.7165
545 G A 0.0000
546 S A 0.0000
547 A A 0.0000
548 M A 0.4305
549 S A 0.0000
550 V A 0.0000
551 A A 0.6892
552 S A 0.0000
553 M A 0.6209
554 S A 0.7942
555 A A 0.9202
556 G A 0.0000
557 S A 0.9594
558 F A 2.1142
559 A A 1.3250
560 S A 0.0000
561 S A 1.1247
562 L A 1.6964
563 L A 1.4158
564 V A 1.4016
565 T A 1.2177
566 L A 1.9001
567 V A 0.0000
568 M A 0.7937
569 A A 0.8341
570 I A 0.8435
571 T A 0.0000
572 C A -1.1470
573 R A -2.2432
574 G A -1.9753
575 G A -2.0996
576 R A -2.7530
577 P A -2.0599
578 G A 0.0000
579 W A -0.1559
580 I A -0.3565
581 P A -1.3461
582 Q A -2.0534
583 D A -1.9622
584 L A 0.0000
585 N A -1.5169
586 K A -2.4182
587 G A 0.0000
588 H A -0.4856
589 V A 0.0000
590 D A 0.0000
591 W A 1.1247
592 F A 0.0000
593 F A 0.0000
594 Y A 1.3677
595 L A 1.1146
596 I A 0.0000
597 A A 0.0000
598 A A 1.1467
599 L A 1.5359
600 N A 0.0000
601 A A 1.8594
602 V A 2.6146
603 D A 0.0000
604 L A 2.4178
605 L A 2.9505
606 A A 2.1933
607 F A 0.0000
608 V A 1.2279
609 V A 1.0847
610 F A 0.4708
611 A A -0.6328
612 K A -1.6831
613 R A -2.3012
614 Y A 0.0000
615 R A -2.1105
616 P A -0.8108
617 A A -0.0710
618 P A 0.5381
619 V A 1.3262
620 I A 1.6220
621 I A 0.0840
622 H A -2.4874
623 G A -3.0144
624 E A -3.6042
625 D A -3.9246
626 E A -3.1796
627 T A -1.9059
628 G A -2.1719
629 G A -1.7730
630 V A -0.5614
631 E A -3.0115
632 K A -3.6496
633 A A -2.4349
634 Q A -3.8164
635 D A -3.9876
636 A A -2.6932
637 E A -3.4402
638 E A -2.7978
639 C A -0.4423
640 I A 0.8679
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Laboratory of Theory of Biopolymers 2018