Project name: 8898e354b5edfdf [mutate: DN709A]

Status: done

Started: 2026-04-16 08:24:02
Settings
Chain sequence(s) A: DELSRQPPFYPSPWANGQGEWAEAYQRAVAIVSQMTLDEKVNLTTGTGWELEKCVGQTGGVPRLNIGGMCLQDSPLGIRDSDYNSAFPAGVNVAATWDKNLAYLRGQAMGQEFSDKGIDVQLGPAAGPLGRSPDGGRNWEGFSPDPALTGVLFAETIKGIQDAGVVATAKHYILNEQEHFRQVAEAAGYGFNISDTISSNVDDKTIHEMYLWPFADAVRAGVGAIMCSYNQINNSYGCQNSYTLNKLLKAELGFQGFVMSDWGAHHSGVGSALAGLDMSMPGDRSRDSATSFWGTNLTIAVLNGTVPQWRVDDMAVRIMAAYYKVGRDRLYQPPNFSSWTRDEYGFKYFYPQEGPYEKVNHFVNVQRNHSEVIRKLGADSTVLLKNNNALPLTGKERKVAILGEDAGSNSRGANGCSDRGCDNGTLAMAWGSGTAEFPRMVTPEQAIQAEVLKHKGSVMAITDNWALSQVETLAKQASVSLVFVNSDAGEGYISVDGNEGDRNNLTLWKNGDNLIKAAANNCNNTIVVIHSVGPVLVDEWYDHPNVTAILWAGLPGQESGNSLADVLYGRVNPGAKSPFTWGKTREAYGDYLVRELNNGNGAPQDDFSEGVFIDYRGFDKRNETPIYEFGHGLSYTTFNYSGLHIQQLNASSNAQVATETGAAPTFGQVGNASDYVYPEGLTRISKFIYPWLNSTDLKASSGDPRYGVDTAEHVPEGATDGSPQPVLPAGGGSGGNPRLYDELIRVSVTVKNTGRVAGDAVPQLYVSLGGPNEPKVVLRKFDRLTLKPSEETKWTTTLTRRDLSNWDRAAQDWVINDEPKKVHVGSSSRQLPLHAALPKVQ
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues DN709A
Energy difference between WT (input) and mutated protein (by FoldX) -0.184489 kcal/mol
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]       FoldX:    Building mutant model                                                       (00:04:20)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:04:30)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:08:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:08:36)
Show buried residues

Minimal score value
-3.4434
Maximal score value
0.75
Average score
-0.6139
Total score value
-516.2924

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 D A -2.4975
2 E A -2.4845
3 L A -1.2172
4 S A -1.6106
5 R A -2.0857
6 Q A 0.0000
7 P A -0.6465
8 P A -0.4244
9 F A 0.2487
10 Y A -0.0567
11 P A 0.0000
12 S A 0.0000
13 P A -0.1956
14 W A -0.2762
15 A A 0.0000
16 N A -1.6656
17 G A 0.0000
18 Q A -1.5214
19 G A -1.4719
20 E A -1.4084
21 W A 0.0000
22 A A -2.0361
23 E A -2.8381
24 A A 0.0000
25 Y A -1.8342
26 Q A -2.3957
27 R A -2.2747
28 A A 0.0000
29 V A -0.8462
30 A A -0.7693
31 I A -0.5210
32 V A 0.0000
33 S A -0.7476
34 Q A -1.5171
35 M A 0.0000
36 T A -0.9162
37 L A 0.0000
38 D A -0.4238
39 E A -0.7757
40 K A 0.0000
41 V A 0.0000
42 N A -0.3892
43 L A 0.0000
44 T A 0.0000
45 T A 0.0000
46 G A 0.0000
47 T A 0.0000
48 G A 0.0000
49 W A -0.6826
50 E A -0.2391
51 L A 0.0000
52 E A -0.1771
53 K A -0.2659
54 C A 0.0000
55 V A -0.0310
56 G A 0.0000
57 Q A -0.2725
58 T A 0.0000
59 G A -0.3696
60 G A 0.0000
61 V A 0.0000
62 P A -1.6369
63 R A -2.4022
64 L A -1.5299
65 N A -2.0530
66 I A 0.0000
67 G A -1.1559
68 G A -0.4449
69 M A 0.0000
70 C A 0.0000
71 L A 0.0000
72 Q A 0.0000
73 D A 0.0000
74 S A 0.0000
75 P A 0.0000
76 L A 0.0000
77 G A 0.0000
78 I A 0.0000
79 R A -0.7822
80 D A -1.1107
81 S A 0.0000
82 D A -0.5241
83 Y A 0.2313
84 N A 0.0000
85 S A 0.0000
86 A A 0.0000
87 F A 0.0000
88 P A 0.0000
89 A A 0.0000
90 G A 0.0000
91 V A 0.0000
92 N A 0.0000
93 V A 0.0000
94 A A 0.0000
95 A A 0.0000
96 T A 0.0000
97 W A 0.0000
98 D A -1.1053
99 K A -1.4436
100 N A -1.5259
101 L A 0.0000
102 A A 0.0000
103 Y A -0.7138
104 L A 0.1182
105 R A 0.0000
106 G A 0.0000
107 Q A -0.6966
108 A A 0.0000
109 M A 0.0000
110 G A 0.0000
111 Q A -0.9983
112 E A 0.0000
113 F A 0.0000
114 S A -0.4467
115 D A -0.9154
116 K A 0.0000
117 G A 0.0000
118 I A 0.0000
119 D A 0.0000
120 V A 0.0000
121 Q A 0.0000
122 L A 0.0000
123 G A 0.0000
124 P A 0.0000
125 A A 0.0000
126 A A 0.0000
127 G A 0.0000
128 P A 0.0000
129 L A 0.0000
130 G A -0.0479
131 R A 0.0000
132 S A 0.0000
133 P A 0.0000
134 D A 0.0000
135 G A 0.0000
136 G A 0.0000
137 R A 0.0000
138 N A 0.0000
139 W A 0.0000
140 E A 0.0000
141 G A 0.0000
142 F A 0.0000
143 S A 0.0000
144 P A 0.0000
145 D A 0.0000
146 P A 0.0000
147 A A 0.0000
148 L A 0.0000
149 T A 0.0000
150 G A 0.0000
151 V A 0.0039
152 L A 0.0000
153 F A 0.0000
154 A A -0.6098
155 E A -1.0582
156 T A 0.0000
157 I A 0.0000
158 K A -1.4922
159 G A 0.0000
160 I A 0.0000
161 Q A -1.4604
162 D A -2.2349
163 A A -1.2134
164 G A 0.0000
165 V A 0.0000
166 V A 0.0000
167 A A 0.0000
168 T A 0.0000
169 A A 0.0000
170 K A 0.0000
171 H A 0.0000
172 Y A 0.0000
173 I A 0.0000
174 L A 0.0000
175 N A 0.0000
176 E A 0.0000
177 Q A 0.0000
178 E A 0.0000
179 H A -0.4420
180 F A 0.0000
181 R A 0.0000
182 Q A -0.1090
183 V A 0.0135
184 A A -0.0428
185 E A -0.1259
186 A A 0.0000
187 A A -0.5474
188 G A -0.4348
189 Y A -0.1534
190 G A -0.6226
191 F A -0.9463
192 N A -1.6479
193 I A 0.0000
194 S A -1.0718
195 D A -0.9938
196 T A 0.0000
197 I A 0.0000
198 S A 0.0000
199 S A 0.0000
200 N A -1.3038
201 V A 0.0000
202 D A -2.0533
203 D A -1.7743
204 K A -1.9146
205 T A 0.0000
206 I A 0.0000
207 H A 0.0000
208 E A -0.4812
209 M A 0.0000
210 Y A 0.0000
211 L A 0.0000
212 W A 0.0000
213 P A 0.0000
214 F A 0.0000
215 A A 0.0000
216 D A -0.5358
217 A A 0.0000
218 V A 0.0000
219 R A -1.0970
220 A A 0.0000
221 G A 0.0000
222 V A 0.0000
223 G A 0.0000
224 A A 0.0000
225 I A 0.0000
226 M A 0.0000
227 C A 0.0000
228 S A 0.0000
229 Y A -0.0687
230 N A 0.0000
231 Q A 0.0000
232 I A 0.0000
233 N A 0.0000
234 N A -0.8242
235 S A -0.6930
236 Y A -0.2180
237 G A 0.0000
238 C A 0.0000
239 Q A -0.3875
240 N A 0.0000
241 S A 0.0000
242 Y A 0.1736
243 T A 0.0000
244 L A 0.0000
245 N A 0.0000
246 K A 0.0000
247 L A 0.0000
248 L A 0.0000
249 K A 0.0000
250 A A 0.1022
251 E A 0.0000
252 L A 0.0000
253 G A -0.5097
254 F A 0.0000
255 Q A 0.0000
256 G A 0.0000
257 F A 0.0000
258 V A 0.0000
259 M A 0.0000
260 S A 0.0000
261 D A -0.2769
262 W A 0.0000
263 G A -0.9433
264 A A 0.0000
265 H A 0.0000
266 H A -0.5944
267 S A -0.3104
268 G A -0.1110
269 V A 0.2002
270 G A -0.3772
271 S A 0.0000
272 A A 0.0000
273 L A 0.0000
274 A A 0.0000
275 G A 0.0000
276 L A 0.0000
277 D A 0.0000
278 M A 0.0000
279 S A 0.0000
280 M A 0.0000
281 P A 0.0000
282 G A 0.0000
283 D A 0.0000
284 R A -1.2086
285 S A -1.4759
286 R A -2.1769
287 D A -1.4422
288 S A -1.0825
289 A A -0.7678
290 T A -0.6927
291 S A -0.3953
292 F A -0.0993
293 W A 0.0000
294 G A 0.0000
295 T A -0.1495
296 N A -0.2836
297 L A 0.0000
298 T A 0.0000
299 I A 0.0000
300 A A 0.0000
301 V A 0.0000
302 L A -0.5211
303 N A -1.1199
304 G A -0.7655
305 T A -0.4311
306 V A 0.0000
307 P A -0.4459
308 Q A -0.4474
309 W A 0.0000
310 R A 0.0000
311 V A 0.0000
312 D A 0.0000
313 D A 0.0000
314 M A 0.0000
315 A A 0.0000
316 V A 0.0000
317 R A 0.0000
318 I A 0.0000
319 M A 0.0000
320 A A 0.0000
321 A A 0.0000
322 Y A 0.0000
323 Y A 0.0000
324 K A -1.7096
325 V A 0.0000
326 G A -1.4133
327 R A 0.0000
328 D A -2.8241
329 R A -2.5235
330 L A -1.1311
331 Y A -1.2403
332 Q A -1.6654
333 P A -0.9018
334 P A -0.7743
335 N A -0.7070
336 F A 0.0000
337 S A 0.0000
338 S A 0.0000
339 W A -0.2772
340 T A -1.1358
341 R A -2.1027
342 D A -2.7316
343 E A -2.1943
344 Y A -0.8554
345 G A -0.6621
346 F A -0.0686
347 K A -0.8707
348 Y A -0.3834
349 F A 0.0290
350 Y A 0.1473
351 P A -0.5504
352 Q A -0.9864
353 E A -1.0584
354 G A -0.9091
355 P A -0.4377
356 Y A 0.4179
357 E A -0.7535
358 K A -1.3922
359 V A 0.0000
360 N A 0.0000
361 H A -0.8174
362 F A 0.3189
363 V A 0.1397
364 N A -1.0582
365 V A 0.0000
366 Q A -1.5191
367 R A -2.9919
368 N A -2.6724
369 H A 0.0000
370 S A -1.9363
371 E A -2.8461
372 V A -1.5266
373 I A 0.0000
374 R A -1.8481
375 K A -2.2112
376 L A 0.0000
377 G A 0.0000
378 A A 0.0000
379 D A 0.0000
380 S A 0.0000
381 T A 0.0000
382 V A 0.0000
383 L A 0.0000
384 L A 0.0000
385 K A -1.0045
386 N A -1.3694
387 N A -2.1852
388 N A -2.0120
389 A A -1.2284
390 L A 0.0000
391 P A -0.6344
392 L A 0.0000
393 T A -0.7974
394 G A -1.9044
395 K A -2.8274
396 E A -2.4372
397 R A -3.1336
398 K A -1.8960
399 V A 0.0000
400 A A 0.0000
401 I A 0.0000
402 L A 0.0000
403 G A 0.0000
404 E A -0.9847
405 D A 0.0000
406 A A 0.0000
407 G A -0.7908
408 S A -0.8897
409 N A 0.0000
410 S A -1.4145
411 R A -2.4072
412 G A -1.8245
413 A A -1.4954
414 N A -2.0622
415 G A -1.5920
416 C A -1.0677
417 S A -0.5902
418 D A -0.8312
419 R A 0.0000
420 G A -0.3309
421 C A -0.7367
422 D A -0.7273
423 N A -1.1547
424 G A 0.0000
425 T A 0.0000
426 L A 0.0000
427 A A 0.0000
428 M A 0.0000
429 A A 0.0000
430 W A 0.0000
431 G A 0.0000
432 S A -0.2330
433 G A 0.0000
434 T A 0.0000
435 A A 0.0000
436 E A -1.1395
437 F A 0.0000
438 P A -0.7590
439 R A -1.2633
440 M A -0.6491
441 V A -0.3324
442 T A 0.0000
443 P A 0.0000
444 E A -1.1321
445 Q A -1.4398
446 A A 0.0000
447 I A 0.0000
448 Q A -1.0781
449 A A -1.0271
450 E A -1.4405
451 V A 0.0000
452 L A -1.0249
453 K A -2.3895
454 H A -2.9065
455 K A -2.9090
456 G A -2.4351
457 S A -1.0158
458 V A -0.2480
459 M A 0.3459
460 A A -0.2265
461 I A 0.0000
462 T A -0.8520
463 D A -1.5040
464 N A 0.0000
465 W A 0.3883
466 A A -0.2470
467 L A -0.2939
468 S A -0.5992
469 Q A -1.3226
470 V A 0.0000
471 E A -1.8734
472 T A -1.5198
473 L A 0.0000
474 A A 0.0000
475 K A -2.9925
476 Q A -2.4329
477 A A -1.7865
478 S A -1.7572
479 V A 0.0000
480 S A 0.0000
481 L A 0.0000
482 V A 0.0000
483 F A 0.0000
484 V A 0.0000
485 N A 0.0000
486 S A 0.0000
487 D A 0.0000
488 A A 0.0000
489 G A 0.0000
490 E A 0.0000
491 G A 0.0000
492 Y A 0.6066
493 I A 0.2395
494 S A -0.5608
495 V A -1.0375
496 D A -2.0792
497 G A -1.6509
498 N A 0.0000
499 E A -0.9343
500 G A 0.0000
501 D A 0.0000
502 R A 0.0000
503 N A -1.9028
504 N A -1.5592
505 L A 0.0000
506 T A -0.6321
507 L A 0.0000
508 W A -0.4901
509 K A -0.8024
510 N A -0.5481
511 G A 0.0000
512 D A -1.0755
513 N A -1.0066
514 L A 0.0000
515 I A 0.0000
516 K A -1.3674
517 A A 0.0000
518 A A 0.0000
519 A A 0.0000
520 N A -2.1178
521 N A -2.1602
522 C A 0.0000
523 N A -2.1794
524 N A -1.4534
525 T A 0.0000
526 I A 0.0000
527 V A 0.0000
528 V A 0.0000
529 I A 0.0000
530 H A 0.0000
531 S A 0.0000
532 V A 0.0000
533 G A 0.0000
534 P A 0.0000
535 V A 0.0000
536 L A -0.8391
537 V A 0.0000
538 D A -2.7300
539 E A -3.0374
540 W A 0.0000
541 Y A -1.6554
542 D A -2.4711
543 H A -1.9904
544 P A -1.4332
545 N A -1.7323
546 V A 0.0000
547 T A -1.5333
548 A A 0.0000
549 I A 0.0000
550 L A 0.0000
551 W A 0.0000
552 A A 0.0000
553 G A 0.0000
554 L A 0.0000
555 P A 0.0000
556 G A 0.0000
557 Q A 0.0000
558 E A 0.0000
559 S A 0.0000
560 G A 0.0000
561 N A -0.7236
562 S A 0.0000
563 L A 0.0000
564 A A 0.0000
565 D A 0.0000
566 V A 0.0000
567 L A 0.0000
568 Y A -0.5890
569 G A -1.0157
570 R A -1.8315
571 V A -1.0533
572 N A -0.4779
573 P A 0.0000
574 G A 0.0000
575 A A 0.0000
576 K A 0.0000
577 S A 0.0000
578 P A 0.0000
579 F A 0.0000
580 T A 0.0000
581 W A 0.0000
582 G A 0.0000
583 K A -1.7720
584 T A -1.3292
585 R A 0.0000
586 E A -1.7737
587 A A 0.0000
588 Y A 0.0000
589 G A -0.4700
590 D A 0.0000
591 Y A 0.7500
592 L A 0.0000
593 V A -0.6347
594 R A -1.3112
595 E A -2.1850
596 L A -1.8646
597 N A -2.1852
598 N A -1.9748
599 G A -1.8137
600 N A -2.2622
601 G A -1.5481
602 A A 0.0000
603 P A 0.0000
604 Q A 0.0000
605 D A 0.0000
606 D A -1.8725
607 F A 0.0000
608 S A -1.0379
609 E A -0.8190
610 G A -0.8761
611 V A -0.3927
612 F A -0.5145
613 I A 0.0000
614 D A 0.0000
615 Y A 0.0000
616 R A 0.0000
617 G A 0.0000
618 F A 0.0000
619 D A 0.0000
620 K A -2.9906
621 R A -2.2361
622 N A -2.5781
623 E A -1.8224
624 T A -0.9211
625 P A -0.7279
626 I A -0.5227
627 Y A 0.0000
628 E A -0.4021
629 F A 0.0000
630 G A 0.0000
631 H A -0.2639
632 G A 0.0639
633 L A 0.3662
634 S A 0.1881
635 Y A -0.2647
636 T A -0.5057
637 T A -0.4602
638 F A -0.6309
639 N A -1.2570
640 Y A -0.8543
641 S A -0.8408
642 G A -0.7107
643 L A -0.7295
644 H A -1.2102
645 I A -0.9268
646 Q A -1.6021
647 Q A -2.0498
648 L A -1.3819
649 N A -1.6731
650 A A -1.3981
651 S A -1.3256
652 S A -1.6028
653 N A -1.8256
654 A A -1.4164
655 Q A -1.4959
656 V A -0.7829
657 A A -0.6974
658 T A -0.9555
659 E A -1.9693
660 T A -1.3803
661 G A -1.1496
662 A A -0.6253
663 A A -0.4960
664 P A -0.3268
665 T A -0.3159
666 F A -0.4101
667 G A -1.0706
668 Q A -1.4760
669 V A -1.0322
670 G A -1.5568
671 N A -1.9690
672 A A -1.6677
673 S A -1.7414
674 D A -2.2255
675 Y A 0.0000
676 V A -0.9779
677 Y A -0.7901
678 P A -1.0619
679 E A -1.8236
680 G A -1.3183
681 L A -0.7387
682 T A -1.0153
683 R A -1.7639
684 I A -1.0052
685 S A -0.8991
686 K A -0.9748
687 F A -0.3444
688 I A 0.0000
689 Y A -0.1123
690 P A 0.0000
691 W A -0.1824
692 L A 0.0000
693 N A -1.6739
694 S A -1.5362
695 T A -1.7967
696 D A -2.4622
697 L A -1.8144
698 K A -2.7432
699 A A -1.7794
700 S A 0.0000
701 S A -1.5023
702 G A -1.3950
703 D A -1.3009
704 P A -1.2530
705 R A -1.7724
706 Y A -1.1939
707 G A -1.0252
708 V A -0.6984
709 N A -1.7817 mutated: DN709A
710 T A -1.2591
711 A A -1.5513
712 E A -2.4827
713 H A -1.5978
714 V A -1.0464
715 P A -1.4245
716 E A -2.1437
717 G A -1.0811
718 A A 0.0000
719 T A -0.7263
720 D A -1.0707
721 G A -0.6401
722 S A -0.5887
723 P A -1.0328
724 Q A -1.0491
725 P A -1.0341
726 V A -0.4791
727 L A -0.2373
728 P A -0.2154
729 A A 0.0000
730 G A 0.0000
731 G A -0.5848
732 G A 0.0000
733 S A -0.7444
734 G A 0.0000
735 G A 0.0000
736 N A -0.7371
737 P A -1.1393
738 R A -2.0380
739 L A 0.0000
740 Y A -0.7228
741 D A -1.2673
742 E A -1.6955
743 L A 0.0000
744 I A 0.0000
745 R A -1.4139
746 V A 0.0000
747 S A -0.9506
748 V A 0.0000
749 T A 0.0000
750 V A 0.0000
751 K A -2.4996
752 N A 0.0000
753 T A -1.5069
754 G A -1.3163
755 R A -1.9919
756 V A -0.9111
757 A A -1.2186
758 G A -0.6734
759 D A -0.5185
760 A A 0.0000
761 V A 0.0000
762 P A 0.0000
763 Q A 0.0000
764 L A 0.0000
765 Y A 0.0000
766 V A 0.0000
767 S A -1.1965
768 L A 0.0000
769 G A -1.8440
770 G A -1.6477
771 P A -1.5124
772 N A -1.9753
773 E A -1.6749
774 P A 0.0000
775 K A -2.5959
776 V A 0.0000
777 V A 0.0000
778 L A 0.0000
779 R A 0.0000
780 K A -0.3510
781 F A 0.0000
782 D A -0.7321
783 R A -0.7516
784 L A -0.4232
785 T A -0.9454
786 L A 0.0000
787 K A -2.8398
788 P A -2.1938
789 S A -2.0828
790 E A -3.0203
791 E A -3.4434
792 T A -2.1154
793 K A -2.2106
794 W A 0.0000
795 T A -0.7944
796 T A -0.6270
797 T A -0.8009
798 L A 0.0000
799 T A -0.8194
800 R A 0.0000
801 R A 0.0000
802 D A 0.0000
803 L A 0.0000
804 S A 0.0000
805 N A -0.5531
806 W A 0.0000
807 D A -1.5886
808 R A -2.5154
809 A A -1.1237
810 A A -0.8208
811 Q A -1.2017
812 D A -0.8645
813 W A -0.2635
814 V A -0.1882
815 I A -0.8521
816 N A -1.9951
817 D A -3.0015
818 E A -2.5010
819 P A -1.8587
820 K A -1.6745
821 K A -1.6190
822 V A 0.0000
823 H A -1.0156
824 V A 0.0000
825 G A 0.0000
826 S A -0.3752
827 S A 0.0000
828 S A 0.0000
829 R A -1.0138
830 Q A -0.9753
831 L A -0.5762
832 P A -0.6490
833 L A -0.3938
834 H A -1.2014
835 A A -0.8218
836 A A -0.8930
837 L A -1.1926
838 P A -1.4159
839 K A -2.5822
840 V A -1.7734
841 Q A -1.7254
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Laboratory of Theory of Biopolymers 2018