Project name: HDGFL2 (cryptic)

Status: done

Started: 2026-07-02 11:23:08
Settings
Chain sequence(s) A: MPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKCKDKYGKPNKRKGFNEGLWEIQNNPHASYSAPPPVSSSDSEAPEANPADGSDADEDDEDRGVMAVTAVTATAASDRMESDSDSDKSSDNSGLKRKTPALKMSVSKRARKASSDLDQASVSPSEEENSESSSESEKTSDQDFTPEKKAAVRAPRRGPLGGRKKKEPTIWFGKGHSGMLASEGREAVLTRLHESERVRKQERERDTEERREKAPSASDSDSKADSDGAKPEPVAMARSASSSSSSSSSSDSDVSVKKPPRGRKPAEKPLPKPRGRKPKPERPPSSSSSDSDSDEVDRISEWKRRDEARRRELEARRRREQEEELRRLREQEKEEKERRRERADRGEAERGSGGSSGDELREDDEPVKKRGRKGRGRGPPSSSDSEPEAELEREAKKSAKKPQSSSTEPARKPGQKEKRVRPEEKQQAKPVKVERTRKRSEGFSMDRKVEKKKEPSVEEKLQKLHSEIKFALKVDSPDVKRCLNALEELGTLQVTSQILQKNTDVVATLKKIRRYKANKDVMEKAAEVYTRLKSRVLGPKIEAVQKVNKAGMEKEKAEEKLAGEELAGEEAPQEKAEDKPSTDLSAPVNGEATSQKGESAEDKEHEEGRDSEEGPRCGSSEDLHDSVREGPDLDRPGSDRQERERARGDSEALDEES
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                                          (00:12:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:12:19)
Show buried residues

Minimal score value
-7.104
Maximal score value
2.7316
Average score
-2.0771
Total score value
-1489.2773

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 0.6835
2 P A -0.4320
3 H A -0.9250
4 A A -0.7247
5 F A 0.0000
6 K A -2.4820
7 P A -2.0923
8 G A -1.9091
9 D A -1.6200
10 L A -0.8683
11 V A 0.0000
12 F A 0.0000
13 A A 0.0000
14 K A -1.2398
15 M A -1.0185
16 K A -1.8726
17 G A -1.0593
18 Y A -0.4326
19 P A -0.4355
20 H A -0.7918
21 W A 0.0000
22 P A 0.0000
23 A A 0.0000
24 R A 0.0000
25 I A 0.0000
26 D A -2.1299
27 D A -2.5771
28 I A -0.9935
29 A A -1.0622
30 D A -1.9902
31 G A -1.0148
32 A A -0.0410
33 V A 0.6843
34 K A -1.1865
35 P A -0.7587
36 P A -0.8898
37 P A -1.4647
38 N A -1.7438
39 K A -1.5633
40 Y A -0.8535
41 P A -0.4820
42 I A 0.0000
43 F A 0.0000
44 F A 0.0000
45 F A 0.0000
46 G A -1.2162
47 T A -1.3161
48 H A -1.0900
49 E A -1.8990
50 T A -0.9826
51 A A -0.2018
52 F A 0.3666
53 L A 0.0000
54 G A -1.4306
55 P A -1.6218
56 K A -2.2626
57 D A -1.9736
58 L A 0.0000
59 F A -0.8317
60 P A -1.1460
61 Y A -2.0156
62 D A -3.1483
63 K A -3.4216
64 C A 0.0000
65 K A -3.8727
66 D A -4.0832
67 K A -3.4544
68 Y A -2.1948
69 G A -2.4726
70 K A -2.8160
71 P A -1.8341
72 N A -2.4752
73 K A -2.8296
74 R A -2.8118
75 K A -2.9391
76 G A -1.9398
77 F A 0.0000
78 N A -1.9485
79 E A -1.5994
80 G A 0.0000
81 L A -1.0422
82 W A -0.5063
83 E A -1.6354
84 I A 0.0000
85 Q A -1.9515
86 N A -2.4062
87 N A -2.4892
88 P A -1.8349
89 H A -1.8712
90 A A -0.9302
91 S A -0.3640
92 Y A 0.3384
93 S A 0.0715
94 A A -0.3326
95 P A 0.0295
96 P A -0.0142
97 P A 0.3175
98 V A 1.3192
99 S A 0.1887
100 S A -0.2746
101 S A -1.0321
102 D A -2.4153
103 S A -2.0340
104 E A -2.4976
105 A A -1.5382
106 P A -1.6266
107 E A -2.3870
108 A A -1.6251
109 N A -2.0111
110 P A -1.3893
111 A A -1.3678
112 D A -2.2573
113 G A -1.8459
114 S A -1.6839
115 D A -2.3853
116 A A -2.3584
117 D A -3.6864
118 E A -4.2050
119 D A -4.4176
120 D A -4.5955
121 E A -4.6578
122 D A -4.0027
123 R A -2.8484
124 G A -0.6590
125 V A 1.6040
126 M A 2.0870
127 A A 1.9006
128 V A 2.4348
129 T A 1.4644
130 A A 1.3237
131 V A 1.9466
132 T A 0.8562
133 A A 0.3882
134 T A -0.0149
135 A A 0.0187
136 A A -0.4063
137 S A -1.5196
138 D A -2.7583
139 R A -2.7942
140 M A -1.4440
141 E A -2.5251
142 S A -2.1607
143 D A -2.7343
144 S A -2.4580
145 D A -3.0564
146 S A -2.5684
147 D A -3.2418
148 K A -2.9899
149 S A -2.1564
150 S A -1.9580
151 D A -2.6681
152 N A -2.2424
153 S A -1.2536
154 G A -0.9439
155 L A -0.4023
156 K A -2.4566
157 R A -3.2094
158 K A -2.9868
159 T A -1.5113
160 P A -0.5705
161 A A 0.1950
162 L A 0.8747
163 K A -0.4198
164 M A 0.7986
165 S A 0.7816
166 V A 1.3834
167 S A -0.6131
168 K A -2.2889
169 R A -3.1351
170 A A -2.4788
171 R A -3.0931
172 K A -2.6577
173 A A -1.3260
174 S A -1.2958
175 S A -1.0765
176 D A -1.6069
177 L A -0.5163
178 D A -2.0500
179 Q A -1.7432
180 A A -0.6683
181 S A 0.3593
182 V A 1.4925
183 S A 0.4322
184 P A -0.4422
185 S A -1.4921
186 E A -3.2670
187 E A -3.9663
188 E A -3.8296
189 N A -3.1029
190 S A -2.2370
191 E A -2.3520
192 S A -1.3161
193 S A -1.2050
194 S A -1.3112
195 E A -2.4869
196 S A -2.4578
197 E A -3.2014
198 K A -2.9467
199 T A -2.1375
200 S A -2.3811
201 D A -3.0274
202 Q A -2.5170
203 D A -2.0503
204 F A 0.2286
205 T A -0.3153
206 P A -1.5512
207 E A -2.9633
208 K A -3.5284
209 K A -2.6935
210 A A -1.0639
211 A A -0.1887
212 V A 0.7296
213 R A -0.9919
214 A A -1.2369
215 P A -2.0420
216 R A -3.0256
217 R A -2.9394
218 G A -1.6790
219 P A -0.5034
220 L A 0.7717
221 G A -0.4145
222 G A -1.5472
223 R A -3.5589
224 K A -4.2581
225 K A -4.2545
226 K A -4.1653
227 E A -3.2147
228 P A -1.1612
229 T A 0.6035
230 I A 2.7316
231 W A 2.6506
232 F A 2.3938
233 G A -0.0589
234 K A -1.8282
235 G A -1.8392
236 H A -1.5681
237 S A -0.7803
238 G A 0.0116
239 M A 1.0915
240 L A 1.2596
241 A A 0.0479
242 S A -1.3609
243 E A -2.4916
244 G A -2.0737
245 R A -3.1790
246 E A -3.0416
247 A A -1.8726
248 V A -1.0871
249 L A -0.9196
250 T A -1.8611
251 R A -2.6951
252 L A -1.1138
253 H A -2.5988
254 E A -3.6533
255 S A -2.9975
256 E A -4.5243
257 R A -4.8047
258 V A -3.1101
259 R A -5.3169
260 K A -6.0044
261 Q A -5.4315
262 E A -6.4830
263 R A -6.5239
264 E A -6.2977
265 R A -7.0391
266 D A -6.9093
267 T A -5.7378
268 E A -6.6869
269 E A -6.9239
270 R A -6.2907
271 R A -5.8312
272 E A -5.4098
273 K A -4.4872
274 A A -2.4813
275 P A -1.2030
276 S A -0.7486
277 A A -0.7132
278 S A -1.4223
279 D A -2.4913
280 S A -2.0845
281 D A -2.8582
282 S A -2.1991
283 K A -2.5534
284 A A -1.8403
285 D A -2.6360
286 S A -2.2050
287 D A -2.7092
288 G A -1.7872
289 A A -1.6855
290 K A -2.5481
291 P A -1.9184
292 E A -2.0277
293 P A -0.3416
294 V A 1.4238
295 A A 1.0295
296 M A 1.0483
297 A A -0.1986
298 R A -1.6614
299 S A -1.0523
300 A A -0.6069
301 S A -0.3830
302 S A -0.5094
303 S A -0.5124
304 S A -0.5239
305 S A -0.5355
306 S A -0.5141
307 S A -0.5159
308 S A -0.5172
309 S A -0.8624
310 S A -1.2896
311 D A -2.3079
312 S A -1.5930
313 D A -1.3359
314 V A 0.8387
315 S A 0.5383
316 V A 0.7476
317 K A -1.5656
318 K A -2.3739
319 P A -1.9476
320 P A -1.9274
321 R A -2.8334
322 G A -2.8353
323 R A -3.3910
324 K A -3.3008
325 P A -2.3555
326 A A -2.0347
327 E A -2.7998
328 K A -2.3634
329 P A -1.0719
330 L A 0.2269
331 P A -1.0506
332 K A -2.1286
333 P A -1.9490
334 R A -3.0327
335 G A -2.9807
336 R A -3.3156
337 K A -3.1701
338 P A -2.3160
339 K A -2.6892
340 P A -2.4627
341 E A -3.2364
342 R A -2.9503
343 P A -1.6580
344 P A -0.8818
345 S A -0.5396
346 S A -0.5345
347 S A -0.5436
348 S A -0.8539
349 S A -1.2889
350 D A -2.4912
351 S A -2.2539
352 D A -3.1899
353 S A -2.4408
354 D A -2.8789
355 E A -2.9691
356 V A -1.0181
357 D A -2.2974
358 R A -2.3010
359 I A -0.4951
360 S A -1.6852
361 E A -2.7774
362 W A -2.0980
363 K A -3.8502
364 R A -4.6934
365 R A -4.7309
366 D A -4.9075
367 E A -5.0499
368 A A -4.5662
369 R A -5.2202
370 R A -5.1514
371 R A -5.0706
372 E A -4.3934
373 L A -3.0313
374 E A -4.6058
375 A A -4.5545
376 R A -5.3151
377 R A -5.6855
378 R A -5.7952
379 R A -5.9116
380 E A -6.2470
381 Q A -5.5204
382 E A -5.1204
383 E A -5.0720
384 E A -4.6210
385 L A -3.1596
386 R A -4.7220
387 R A -4.9178
388 L A -3.6426
389 R A -5.1969
390 E A -6.0889
391 Q A -5.8492
392 E A -6.4808
393 K A -6.8075
394 E A -6.9780
395 E A -7.1040
396 K A -6.7850
397 E A -7.0163
398 R A -6.9115
399 R A -6.8737
400 R A -6.5875
401 E A -6.4314
402 R A -6.0069
403 A A -5.0173
404 D A -5.7673
405 R A -5.6338
406 G A -4.5282
407 E A -4.8905
408 A A -3.9366
409 E A -4.4031
410 R A -4.3633
411 G A -2.9969
412 S A -2.2169
413 G A -1.8436
414 G A -1.2896
415 S A -1.0375
416 S A -1.0473
417 G A -2.0005
418 D A -2.6388
419 E A -2.4436
420 L A -1.0916
421 R A -2.7709
422 E A -3.7134
423 D A -4.4666
424 D A -3.8117
425 E A -2.9479
426 P A -1.6533
427 V A -0.5625
428 K A -2.4646
429 K A -3.1881
430 R A -3.5339
431 G A -3.2907
432 R A -3.4168
433 K A -3.3208
434 G A -2.7287
435 R A -3.0349
436 G A -2.4997
437 R A -2.7573
438 G A -1.6907
439 P A -1.0299
440 P A -0.8341
441 S A -0.8048
442 S A -0.8668
443 S A -1.5745
444 D A -2.4503
445 S A -2.1436
446 E A -2.9077
447 P A -2.3269
448 E A -2.8139
449 A A -1.6513
450 E A -1.8563
451 L A -0.6254
452 E A -2.6847
453 R A -3.2940
454 E A -3.3852
455 A A -2.3638
456 K A -2.8987
457 K A -2.6102
458 S A -1.6575
459 A A -1.5749
460 K A -2.7100
461 K A -2.9157
462 P A -2.0809
463 Q A -2.0752
464 S A -0.9850
465 S A -0.6927
466 S A -0.8923
467 T A -1.1731
468 E A -2.0087
469 P A -1.4662
470 A A -1.6657
471 R A -2.7344
472 K A -2.9451
473 P A -2.0468
474 G A -1.9926
475 Q A -3.1173
476 K A -3.7033
477 E A -4.0211
478 K A -3.9022
479 R A -2.7399
480 V A -0.8261
481 R A -2.4182
482 P A -2.4887
483 E A -3.5591
484 E A -4.2187
485 K A -3.9347
486 Q A -3.4056
487 Q A -2.8532
488 A A -1.7162
489 K A -1.7743
490 P A -0.6055
491 V A 0.7767
492 K A -0.3378
493 V A -0.0263
494 E A -2.1861
495 R A -3.0420
496 T A -2.5939
497 R A -3.5350
498 K A -3.7672
499 R A -3.5047
500 S A -2.2437
501 E A -2.0553
502 G A -0.4224
503 F A 1.1591
504 S A 0.1101
505 M A -0.1137
506 D A -2.2114
507 R A -3.1436
508 K A -2.6771
509 V A -1.2069
510 E A -3.0641
511 K A -4.0039
512 K A -4.1410
513 K A -4.2494
514 E A -3.7219
515 P A -2.6129
516 S A -1.7727
517 V A -1.4286
518 E A -2.1449
519 E A -3.1007
520 K A -2.8101
521 L A 0.0000
522 Q A -2.6606
523 K A -3.1217
524 L A 0.0000
525 H A -1.6806
526 S A -1.3021
527 E A -2.0214
528 I A 0.0000
529 K A -1.2595
530 F A -0.4109
531 A A 0.0000
532 L A -1.0274
533 K A -1.4107
534 V A 0.0812
535 D A -1.4944
536 S A -1.1008
537 P A -1.4629
538 D A -2.2594
539 V A -1.9315
540 K A -3.1977
541 R A -3.4069
542 C A 0.0000
543 L A 0.0000
544 N A -3.3742
545 A A 0.0000
546 L A 0.0000
547 E A -3.4992
548 E A -3.0426
549 L A 0.0000
550 G A 0.0000
551 T A -1.4686
552 L A -1.2565
553 Q A -1.1721
554 V A 0.0000
555 T A -1.0435
556 S A -1.4238
557 Q A -2.0352
558 I A -1.6518
559 L A 0.0000
560 Q A -2.5211
561 K A -2.8092
562 N A 0.0000
563 T A -1.2946
564 D A -1.4689
565 V A 0.0000
566 V A -0.6543
567 A A -0.8162
568 T A -1.2792
569 L A 0.0000
570 K A -1.8999
571 K A -2.6262
572 I A 0.0000
573 R A -3.4982
574 R A -3.5943
575 Y A -2.8745
576 K A -2.8446
577 A A -1.5614
578 N A -2.4410
579 K A -3.8310
580 D A -3.6698
581 V A 0.0000
582 M A -3.5105
583 E A -3.6902
584 K A -2.9675
585 A A 0.0000
586 A A -2.2459
587 E A -2.6177
588 V A 0.0000
589 Y A -1.4315
590 T A -1.4485
591 R A -1.8872
592 L A 0.0000
593 K A -1.4567
594 S A -1.4968
595 R A -1.8438
596 V A -1.0460
597 L A -0.7022
598 G A 0.0000
599 P A -1.0500
600 K A -1.4162
601 I A -0.5467
602 E A -2.2561
603 A A -0.9295
604 V A 0.1093
605 Q A -1.9450
606 K A -2.2006
607 V A -0.0741
608 N A -1.8807
609 K A -2.9279
610 A A -2.0983
611 G A -2.0397
612 M A -2.6492
613 E A -3.8996
614 K A -4.5723
615 E A -5.0161
616 K A -4.5095
617 A A -3.7818
618 E A -4.4776
619 E A -4.6700
620 K A -3.4377
621 L A -1.3353
622 A A -1.7810
623 G A -2.2681
624 E A -2.6452
625 E A -1.9252
626 L A -0.0110
627 A A -0.5315
628 G A -1.5900
629 E A -2.9221
630 E A -2.8371
631 A A -1.8506
632 P A -1.6538
633 Q A -2.6347
634 E A -3.3488
635 K A -3.2387
636 A A -2.5667
637 E A -3.4817
638 D A -3.6343
639 K A -3.2043
640 P A -1.8849
641 S A -1.3406
642 T A -0.8319
643 D A -1.1491
644 L A 0.5560
645 S A 0.3466
646 A A 0.4480
647 P A 0.2559
648 V A 0.9235
649 N A -1.0542
650 G A -1.6346
651 E A -2.2928
652 A A -1.1342
653 T A -0.8390
654 S A -1.2165
655 Q A -2.4936
656 K A -3.0782
657 G A -2.5330
658 E A -2.6859
659 S A -1.7665
660 A A -1.7830
661 E A -3.0619
662 D A -3.9296
663 K A -4.3259
664 E A -4.2723
665 H A -3.6829
666 E A -4.0074
667 E A -3.9918
668 G A -3.2577
669 R A -3.6281
670 D A -3.4948
671 S A -3.0456
672 E A -3.5108
673 E A -3.3399
674 G A -2.4622
675 P A -1.7141
676 R A -2.1457
677 C A -0.6635
678 G A -0.8923
679 S A -1.2280
680 S A -1.5627
681 E A -2.6236
682 D A -2.1858
683 L A -0.7337
684 H A -1.3594
685 D A -1.8293
686 S A -1.0399
687 V A -0.3556
688 R A -2.2987
689 E A -2.7589
690 G A -2.0392
691 P A -1.7608
692 D A -2.1846
693 L A -0.8745
694 D A -2.4856
695 R A -2.7286
696 P A -1.6266
697 G A -1.7308
698 S A -1.9757
699 D A -3.6060
700 R A -4.2075
701 Q A -4.3873
702 E A -4.7797
703 R A -4.6753
704 E A -4.5132
705 R A -3.8474
706 A A -2.7477
707 R A -3.1268
708 G A -2.5461
709 D A -2.9732
710 S A -2.1909
711 E A -1.9502
712 A A -0.5489
713 L A -0.1762
714 D A -2.2820
715 E A -3.3758
716 E A -3.2287
717 S A -1.4995
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Laboratory of Theory of Biopolymers 2018