Project name: HDGFL2

Status: done

Started: 2026-07-02 11:22:23
Settings
Chain sequence(s) A: MPHAFKPGDLVFAKMKGYPHWPARIDDIADGAVKPPPNKYPIFFFGTHETAFLGPKDLFPYDKCKDKYGKPNKRKGFNEGLWEIQNNPHASYSAPPPVSSSDSEAPEANPADGSDADEDDEDRGVMAVTAVTATAASDRMESDSDSDKSSDNSGLKRKTPALKMSVSKRARKASSDLDQASVSPSEEENSESSSESEKTSDQDFTPEKKAAVRAPRRGPLGGRKKKKAPSASDSDSKADSDGAKPEPVAMARSASSSSSSSSSSDSDVSVKKPPRGRKPAEKPLPKPRGRKPKPERPPSSSSSDSDSDEVDRISEWKRRDEARRRELEARRRREQEEELRRLREQEKEEKERRRERADRGEAERGSGGSSGDELREDDEPVKKRGRKGRGRGPPSSSDSEPEAELEREAKKSAKKPQSSSTEPARKPGQKEKRVRPEEKQQAKPVKVERTRKRSEGFSMDRKVEKKKEPSVEEKLQKLHSEIKFALKVDSPDVKRCLNALEELGTLQVTSQILQKNTDVVATLKKIRRYKANKDVMEKAAEVYTRLKSRVLGPKIEAVQKVNKAGMEKEKAEEKLAGEELAGEEAPQEKAEDKPSTDLSAPVNGEATSQKGESAEDKEHEEGRDSEEGPRCGSSEDLHDSVREGPDLDRPGSDRQERERARGDSEALDEES
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                                          (00:18:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:18:51)
Show buried residues

Minimal score value
-6.8635
Maximal score value
2.2862
Average score
-2.0129
Total score value
-1350.6258

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 0.8142
2 P A -0.2490
3 H A -0.6590
4 A A -0.5615
5 F A 0.0000
6 K A -2.2929
7 P A -1.8272
8 G A -1.6462
9 D A -1.4341
10 L A -0.7072
11 V A 0.0000
12 F A 0.0000
13 A A 0.0000
14 K A -0.9747
15 M A -0.7697
16 K A -1.7318
17 G A -0.9158
18 Y A -0.0552
19 P A -0.2218
20 H A -0.6136
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 -1.6191
27 D A -2.2882
28 I A -0.9504
29 A A -1.1597
30 D A -2.0575
31 G A -1.0723
32 A A -0.1267
33 V A 0.6856
34 K A -1.1622
35 P A -0.5129
36 P A -0.7632
37 P A -1.4109
38 N A -1.6512
39 K A -1.3097
40 Y A -0.6260
41 P A 0.0000
42 I A 0.0000
43 F A 0.0000
44 F A 0.0000
45 F A 0.0000
46 G A -1.2769
47 T A -1.3203
48 H A -1.2164
49 E A -1.9984
50 T A -0.9110
51 A A 0.0163
52 F A 0.6895
53 L A -0.2107
54 G A -1.1581
55 P A -1.3652
56 K A -2.0135
57 D A -1.3806
58 L A 0.0000
59 F A -0.5511
60 P A -1.0218
61 Y A 0.0000
62 D A -3.0711
63 K A -3.2392
64 C A -2.7325
65 K A -3.5538
66 D A -3.9330
67 K A -3.3768
68 Y A -2.1676
69 G A -2.4113
70 K A -2.8531
71 P A -2.0415
72 N A -2.3339
73 K A -2.7419
74 R A -2.6183
75 K A -2.9151
76 G A -2.0380
77 F A 0.0000
78 N A -2.2815
79 E A -2.1546
80 G A 0.0000
81 L A -0.9343
82 W A -0.3066
83 E A 0.0000
84 I A 0.0000
85 Q A -1.4560
86 N A -1.7646
87 N A -1.4386
88 P A -1.2504
89 H A -1.3998
90 A A -0.7270
91 S A -0.5452
92 Y A -0.0366
93 S A -0.4284
94 A A -0.4231
95 P A -0.0788
96 P A -0.0584
97 P A 0.3351
98 V A 1.3408
99 S A 0.1398
100 S A -0.5245
101 S A -1.2412
102 D A -2.4876
103 S A -2.0355
104 E A -2.3759
105 A A -1.6429
106 P A -1.6248
107 E A -2.2704
108 A A -1.5503
109 N A -1.8690
110 P A -1.4371
111 A A -1.2843
112 D A -2.3229
113 G A -2.0313
114 S A -1.7159
115 D A -2.5211
116 A A -2.1097
117 D A -3.3446
118 E A -3.8629
119 D A -4.2559
120 D A -4.4112
121 E A -4.4103
122 D A -4.0530
123 R A -2.9129
124 G A -0.5510
125 V A 1.8007
126 M A 2.2862
127 A A 2.0161
128 V A 2.2307
129 T A 1.1848
130 A A 1.2019
131 V A 1.7642
132 T A 0.8050
133 A A 0.3713
134 T A -0.0126
135 A A 0.0216
136 A A -0.4009
137 S A -1.5542
138 D A -2.5464
139 R A -2.6023
140 M A -1.2162
141 E A -2.2306
142 S A -1.7792
143 D A -2.8390
144 S A -2.0568
145 D A -2.8280
146 S A -2.5695
147 D A -3.1865
148 K A -2.7624
149 S A -2.0760
150 S A -2.1161
151 D A -2.7822
152 N A -2.5747
153 S A -1.1866
154 G A -0.6824
155 L A 0.0223
156 K A -2.3267
157 R A -3.1791
158 K A -3.0531
159 T A -1.2478
160 P A -0.4953
161 A A 0.2997
162 L A 0.8970
163 K A -0.4839
164 M A 0.8295
165 S A 0.8446
166 V A 1.4201
167 S A -0.5586
168 K A -2.2875
169 R A -3.0332
170 A A -2.4822
171 R A -3.1227
172 K A -2.7351
173 A A -1.6643
174 S A -1.2136
175 S A -1.1332
176 D A -1.6321
177 L A -0.6088
178 D A -1.9153
179 Q A -1.7548
180 A A -0.5920
181 S A 0.3368
182 V A 1.5245
183 S A 0.4054
184 P A -0.4434
185 S A -1.6685
186 E A -3.2449
187 E A -4.0301
188 E A -4.0676
189 N A -3.1036
190 S A -2.6224
191 E A -2.5871
192 S A -1.6246
193 S A -1.2679
194 S A -1.4054
195 E A -2.4828
196 S A -2.4646
197 E A -3.1192
198 K A -2.7027
199 T A -1.9258
200 S A -2.1699
201 D A -2.7416
202 Q A -2.5261
203 D A -1.9389
204 F A 0.2168
205 T A -0.5225
206 P A -1.3821
207 E A -2.8586
208 K A -3.4697
209 K A -2.8895
210 A A -0.6470
211 A A -0.0456
212 V A 0.9335
213 R A -1.0049
214 A A -1.0136
215 P A -1.8811
216 R A -3.0356
217 R A -3.1837
218 G A -1.7818
219 P A -0.2201
220 L A 1.0238
221 G A -0.3763
222 G A -1.7274
223 R A -3.3265
224 K A -3.9488
225 K A -4.0903
226 K A -3.6493
227 K A -2.8370
228 A A -1.3893
229 P A -0.7050
230 S A -0.3308
231 A A -0.5863
232 S A -1.2735
233 D A -2.3610
234 S A -2.1229
235 D A -2.7150
236 S A -2.0189
237 K A -2.5231
238 A A -1.8336
239 D A -2.5649
240 S A -2.0941
241 D A -2.4663
242 G A -1.6551
243 A A -1.4136
244 K A -2.2403
245 P A -2.0358
246 E A -2.0188
247 P A -0.4696
248 V A 1.5061
249 A A 1.4896
250 M A 1.1015
251 A A -0.2583
252 R A -1.6914
253 S A -1.1011
254 A A -0.5927
255 S A -0.3924
256 S A -0.4621
257 S A -0.5071
258 S A -0.5178
259 S A -0.5203
260 S A -0.5077
261 S A -0.5104
262 S A -0.5219
263 S A -0.8689
264 S A -1.2670
265 D A -2.4061
266 S A -1.5928
267 D A -1.4365
268 V A 1.1045
269 S A 0.8376
270 V A 0.8555
271 K A -1.7300
272 K A -2.3345
273 P A -1.8723
274 P A -1.6970
275 R A -2.6422
276 G A -2.6859
277 R A -3.2703
278 K A -2.7559
279 P A -1.8511
280 A A -1.6925
281 E A -2.6741
282 K A -2.3816
283 P A -0.7277
284 L A 0.6536
285 P A -0.3858
286 K A -2.0036
287 P A -2.1892
288 R A -2.9475
289 G A -2.7883
290 R A -3.4446
291 K A -3.2590
292 P A -2.3351
293 K A -2.6149
294 P A -2.4271
295 E A -3.3411
296 R A -3.0460
297 P A -1.7899
298 P A -1.1721
299 S A -0.5502
300 S A -0.5576
301 S A -0.5491
302 S A -0.9037
303 S A -1.4710
304 D A -2.6380
305 S A -2.7293
306 D A -2.9148
307 S A -2.5792
308 D A -3.1860
309 E A -3.1169
310 V A -1.0122
311 D A -2.8912
312 R A -3.2971
313 I A -1.1799
314 S A -2.3815
315 E A -3.9353
316 W A -2.6612
317 K A -4.1919
318 R A -5.1202
319 R A -5.4162
320 D A -5.9089
321 E A -5.7397
322 A A -5.1860
323 R A -5.9789
324 R A -5.9633
325 R A -5.7596
326 E A -5.5185
327 L A -4.4711
328 E A -5.0296
329 A A -5.0793
330 R A -5.9213
331 R A -6.1454
332 R A -6.2559
333 R A -6.4061
334 E A -6.6105
335 Q A -5.9126
336 E A -5.6626
337 E A -6.0712
338 E A -5.2850
339 L A -3.5670
340 R A -5.0776
341 R A -5.0564
342 L A -3.1606
343 R A -4.9513
344 E A -5.8000
345 Q A -5.4528
346 E A -5.9990
347 K A -6.4848
348 E A -6.6200
349 E A -6.5839
350 K A -6.4090
351 E A -6.8635
352 R A -6.7830
353 R A -6.7676
354 R A -6.6040
355 E A -6.6038
356 R A -6.0672
357 A A -4.8305
358 D A -5.7991
359 R A -5.5993
360 G A -4.4720
361 E A -4.7814
362 A A -3.9060
363 E A -4.3615
364 R A -4.3323
365 G A -2.9958
366 S A -2.1935
367 G A -2.0318
368 G A -1.6402
369 S A -1.0474
370 S A -1.1075
371 G A -2.1560
372 D A -2.6785
373 E A -2.3878
374 L A -0.9715
375 R A -2.8674
376 E A -3.8489
377 D A -4.4540
378 D A -3.9277
379 E A -2.9797
380 P A -1.2652
381 V A 0.0297
382 K A -2.3720
383 K A -3.1454
384 R A -3.7255
385 G A -3.2268
386 R A -3.4378
387 K A -3.3944
388 G A -2.9598
389 R A -3.1623
390 G A -2.4368
391 R A -2.7747
392 G A -2.0315
393 P A -1.0488
394 P A -0.6153
395 S A -0.5359
396 S A -0.8873
397 S A -1.6479
398 D A -2.4935
399 S A -2.4423
400 E A -2.9099
401 P A -2.5458
402 E A -2.7937
403 A A -1.7780
404 E A -2.0732
405 L A -0.5658
406 E A -2.7555
407 R A -3.6492
408 E A -3.5726
409 A A -2.6420
410 K A -2.8845
411 K A -2.6101
412 S A -1.8340
413 A A -1.6967
414 K A -2.7344
415 K A -3.0117
416 P A -2.0475
417 Q A -1.8061
418 S A -0.9999
419 S A -0.6894
420 S A -0.8774
421 T A -1.2171
422 E A -2.0169
423 P A -1.5374
424 A A -1.8983
425 R A -2.7370
426 K A -2.7839
427 P A -1.8937
428 G A -1.9474
429 Q A -2.6877
430 K A -3.6577
431 E A -4.2184
432 K A -3.5801
433 R A -2.4816
434 V A -0.4834
435 R A -1.8789
436 P A -2.0511
437 E A -3.6826
438 E A -3.9505
439 K A -3.7892
440 Q A -2.9417
441 Q A -2.4240
442 A A -1.6367
443 K A -1.6913
444 P A -0.6392
445 V A 0.8492
446 K A -0.6198
447 V A 0.0495
448 E A -2.3222
449 R A -3.1869
450 T A -2.8342
451 R A -3.5540
452 K A -3.7889
453 R A -3.6081
454 S A -2.4880
455 E A -2.0971
456 G A -0.5904
457 F A 1.2214
458 S A 0.2487
459 M A -0.2829
460 D A -2.2595
461 R A -3.2074
462 K A -2.8501
463 V A -1.6021
464 E A -3.3215
465 K A -3.8371
466 K A -4.1036
467 K A -4.2326
468 E A -3.4798
469 P A -2.2268
470 S A -1.4535
471 V A -1.2091
472 E A -1.9011
473 E A -2.3461
474 K A -2.3775
475 L A 0.0000
476 Q A -2.9351
477 K A -3.1661
478 L A -2.5249
479 H A -1.8749
480 S A -1.5553
481 E A -2.0273
482 I A 0.0000
483 K A -1.2377
484 F A 0.1551
485 A A 0.0000
486 L A -0.5417
487 K A -0.8649
488 V A 0.2906
489 D A -1.2973
490 S A -0.7729
491 P A -1.0143
492 D A -1.3750
493 V A -1.5367
494 K A -2.6045
495 R A -2.7085
496 C A 0.0000
497 L A -2.3864
498 N A -3.1582
499 A A 0.0000
500 L A 0.0000
501 E A -3.2894
502 E A -2.8614
503 L A 0.0000
504 G A -2.2691
505 T A -1.5138
506 L A -1.2053
507 Q A -1.4103
508 V A 0.0000
509 T A -1.0798
510 S A -1.4819
511 Q A -2.0331
512 I A -1.5701
513 L A 0.0000
514 Q A -2.5453
515 K A -2.8758
516 N A 0.0000
517 T A -1.5841
518 D A -2.3190
519 V A 0.0000
520 V A -1.1065
521 A A -1.3799
522 T A -1.7677
523 L A 0.0000
524 K A -2.7790
525 K A -2.9622
526 I A 0.0000
527 R A -3.2773
528 R A -3.4936
529 Y A -2.5212
530 K A -2.6447
531 A A -1.5249
532 N A -2.3765
533 K A -3.7635
534 D A -3.4043
535 V A 0.0000
536 M A -3.4630
537 E A -3.7421
538 K A -3.0966
539 A A 0.0000
540 A A -2.6129
541 E A -3.2470
542 V A 0.0000
543 Y A -1.9683
544 T A -2.1090
545 R A -2.9055
546 L A 0.0000
547 K A -1.8657
548 S A -1.6733
549 R A -2.1639
550 V A -0.8747
551 L A -0.1309
552 G A -0.9313
553 P A -1.0468
554 K A -1.3940
555 I A 0.1078
556 E A -2.0951
557 A A -1.1183
558 V A -0.2333
559 Q A -1.9011
560 K A -2.2812
561 V A -0.0063
562 N A -1.7897
563 K A -2.7705
564 A A -2.2517
565 G A -2.2468
566 M A -2.5476
567 E A -4.0844
568 K A -4.9994
569 E A -5.1757
570 K A -4.7515
571 A A -3.9938
572 E A -4.4885
573 E A -4.3925
574 K A -3.5543
575 L A -1.3555
576 A A -1.6955
577 G A -2.1957
578 E A -2.4715
579 E A -1.9198
580 L A -0.1362
581 A A -0.8451
582 G A -1.4732
583 E A -2.7395
584 E A -2.8282
585 A A -1.5430
586 P A -1.7981
587 Q A -2.6337
588 E A -3.3094
589 K A -3.1772
590 A A -2.7110
591 E A -3.5257
592 D A -3.6620
593 K A -3.0964
594 P A -1.7366
595 S A -1.0695
596 T A -0.7737
597 D A -1.0617
598 L A 0.4293
599 S A 0.1241
600 A A 0.4789
601 P A 0.3401
602 V A 0.9518
603 N A -1.0575
604 G A -1.6152
605 E A -2.2921
606 A A -0.9955
607 T A -0.7424
608 S A -1.2024
609 Q A -2.3690
610 K A -3.0446
611 G A -2.5619
612 E A -2.7411
613 S A -1.6491
614 A A -2.1849
615 E A -3.2758
616 D A -4.0298
617 K A -4.1918
618 E A -4.0206
619 H A -3.7557
620 E A -3.7553
621 E A -3.5617
622 G A -3.2677
623 R A -3.4559
624 D A -3.3740
625 S A -2.7493
626 E A -3.2936
627 E A -3.0109
628 G A -2.2250
629 P A -1.5924
630 R A -1.8142
631 C A -0.5256
632 G A -0.5957
633 S A -0.9835
634 S A -1.7492
635 E A -2.6263
636 D A -2.3155
637 L A -0.5375
638 H A -1.6358
639 D A -1.7741
640 S A -0.9903
641 V A -0.0944
642 R A -1.8619
643 E A -2.6398
644 G A -2.3561
645 P A -1.4302
646 D A -1.5937
647 L A -0.5869
648 D A -2.4575
649 R A -2.7166
650 P A -1.7603
651 G A -1.6508
652 S A -1.8769
653 D A -3.3726
654 R A -4.0867
655 Q A -3.7450
656 E A -4.0102
657 R A -4.3892
658 E A -4.0495
659 R A -3.5291
660 A A -2.3729
661 R A -2.8433
662 G A -2.7225
663 D A -2.9580
664 S A -2.1405
665 E A -2.0178
666 A A -0.5766
667 L A -0.0523
668 D A -2.4614
669 E A -3.4158
670 E A -3.1869
671 S A -1.4746
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Laboratory of Theory of Biopolymers 2018