Project name: fe443f7186f581e

Status: done

Started: 2026-07-14 09:09:30
Settings
Chain sequence(s) A: RAKVAMSHFEPNEYIHYDLLEKNINIVRKRLNRPLTLSEKIVYGHLDDPASQEIERGKSYLRLRPDRVAMQDATAQMAMLQFISSGLSKVAVPSTIHCDHLIEAQVGGEKDLRRAKDINQEVYNFLATAGAKYGVGFWKPGSGIIHQIILENYAYPGVLLIGTDSHTPNGGGLGGICIGVGGADAVDVMAGIPWELKCPKVIGVKLTGSLSGWSSPKDVILKVAGILTVKGGTGAIVEYHGPGVDSISCTGMATICNMGAEIGATTSVFPYNHRMKKYLSKTGREDIANLADEFKDHLVPDPGCHYDQLIEINLSELKPHINGPFTPDLAHPVAEVGKVAEKEGWPLDIRVGLIGSCTNSSYEDMGRSAAVAKQALAHGLKCKSQFTITPGSEQIRATIERDGYAQILRDLGGIVLANACGPCIGQWDRKDIKKGEKNTIVTSYNRNFTGRNDANPETHAFVTSPEIVTALAIAGTLKFNPETDYLTGTDGKKFRLEAPDADELPKGEFDPGQDTYQHPPKDSSGQHVDVSPTSQRLQLLEPFDKWDGKDLEDLQILIKVKGKCTTDHISAAGPWLKFRGHLDNISNNLLIGAINIENGKANSVRNAVTQEFGPVPDTARYYKKHGIRWVVIGDENYGEGSSREHAALEPRHLGGRAIITKSFARIHETNLKKQGLLPLTFADPADYNKIHPVDKLTIQGLKDFTPGKPLKCIIKHPNGTQETILLNHTFNETQIEWFRAGSALNRMKELQQ
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:10:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:10:28)
Show buried residues

Minimal score value
-3.5896
Maximal score value
1.1942
Average score
-0.5778
Total score value
-434.4951

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
29 R A -2.5499
30 A A -2.2091
31 K A -2.5892
32 V A 0.0000
33 A A -1.2617
34 M A 0.0000
35 S A 0.0000
36 H A -0.9332
37 F A -0.4755
38 E A 0.0000
39 P A -1.2701
40 N A -1.7500
41 E A -1.5086
42 Y A -1.3095
43 I A 0.0000
44 H A -1.5480
45 Y A 0.0000
46 D A -1.6438
47 L A -0.5502
48 L A 0.0000
49 E A -1.2132
50 K A -1.1968
51 N A 0.0000
52 I A 0.0000
53 N A -1.3021
54 I A -0.9805
55 V A 0.0000
56 R A -1.7525
57 K A -2.4882
58 R A -1.8357
59 L A -1.2452
60 N A -2.1863
61 R A -1.5884
62 P A -0.9283
63 L A 0.0000
64 T A 0.0000
65 L A 0.0000
66 S A 0.0000
67 E A 0.0000
68 K A 0.0000
69 I A 0.0000
70 V A 0.0000
71 Y A 0.0000
72 G A 0.0000
73 H A 0.0000
74 L A 0.0000
75 D A -1.5318
76 D A -1.5585
77 P A 0.0000
78 A A -0.7833
79 S A -0.9083
80 Q A 0.0000
81 E A -2.6366
82 I A -1.9563
83 E A -3.0642
84 R A -2.4151
85 G A -1.9806
86 K A -2.9006
87 S A 0.0000
88 Y A 0.0000
89 L A 0.0000
90 R A -1.3440
91 L A 0.0000
92 R A -1.5356
93 P A 0.0000
94 D A -0.7243
95 R A 0.0000
96 V A 0.0000
97 A A 0.0000
98 M A 0.0000
99 Q A 0.0000
100 D A 0.0000
101 A A 0.0000
102 T A 0.0000
103 A A 0.0000
104 Q A 0.0000
105 M A 0.0000
106 A A 0.0000
107 M A 0.0000
108 L A 0.0000
109 Q A 0.0000
110 F A 0.0000
111 I A 0.4398
112 S A 0.1243
113 S A 0.0000
114 G A -0.4548
115 L A -0.1319
116 S A -0.5519
117 K A -1.1124
118 V A 0.0000
119 A A 0.0027
120 V A -0.1812
121 P A -0.1826
122 S A 0.0000
123 T A 0.0000
124 I A 0.0000
125 H A 0.0000
126 C A 0.0000
127 D A 0.0000
128 H A 0.0000
129 L A 0.0000
130 I A 0.0000
131 E A -0.2466
132 A A 0.0000
133 Q A -0.2123
134 V A 0.9484
135 G A 0.0219
136 G A -1.2285
137 E A -2.6355
138 K A -2.4268
139 D A 0.0000
140 L A -1.9664
141 R A -3.2478
142 R A -2.1464
143 A A 0.0000
144 K A -2.0733
145 D A -2.4057
146 I A -0.5524
147 N A 0.0000
148 Q A -2.2356
149 E A -2.0690
150 V A 0.0000
151 Y A 0.0000
152 N A -2.0415
153 F A 0.0000
154 L A 0.0000
155 A A -0.6901
156 T A -0.9719
157 A A 0.0000
158 G A 0.0000
159 A A -1.2553
160 K A -1.3510
161 Y A 0.0000
162 G A 0.0000
163 V A 0.0000
164 G A 0.0000
165 F A 0.0000
166 W A 0.0000
167 K A -0.8082
168 P A 0.0000
169 G A 0.0000
170 S A 0.0000
171 G A 0.0000
172 I A 0.0000
173 I A 0.0000
174 H A 0.0000
175 Q A 0.0000
176 I A 0.0000
177 I A 0.0000
178 L A 0.0000
179 E A 0.0000
180 N A -0.3019
181 Y A 0.0000
182 A A 0.0000
183 Y A 0.0000
184 P A 0.0000
185 G A 0.0000
186 V A 0.0000
187 L A 0.0000
188 L A 0.0000
189 I A 0.0000
190 G A 0.0000
191 T A 0.0000
192 D A 0.0000
193 S A 0.0000
194 H A 0.0000
195 T A 0.0000
196 P A 0.0000
197 N A 0.0000
198 G A 0.0000
199 G A 0.0000
200 G A 0.0000
201 L A 0.0000
202 G A 0.0000
203 G A 0.0000
204 I A 0.0000
205 C A 0.0000
206 I A 0.0000
207 G A 0.0000
208 V A 0.0000
209 G A 0.0000
210 G A 0.0000
211 A A 0.0000
212 D A 0.0000
213 A A 0.0000
214 V A 0.0000
215 D A 0.0000
216 V A 0.0000
217 M A 0.0000
218 A A 0.1086
219 G A 0.0772
220 I A 0.4396
221 P A -0.3206
222 W A 0.0000
223 E A 0.0000
224 L A 0.0000
225 K A -1.3224
226 C A 0.0000
227 P A 0.0000
228 K A -1.7639
229 V A 0.0000
230 I A 0.0000
231 G A 0.0000
232 V A 0.0000
233 K A -1.2037
234 L A 0.0000
235 T A -1.2487
236 G A -0.9263
237 S A -0.7317
238 L A -0.4213
239 S A -0.7983
240 G A -1.0520
241 W A 0.0000
242 S A 0.0000
243 S A 0.0000
244 P A 0.0000
245 K A 0.0000
246 D A 0.0000
247 V A 0.0000
248 I A 0.0000
249 L A 0.0000
250 K A -0.4570
251 V A 0.0000
252 A A 0.0000
253 G A 0.1962
254 I A 0.9734
255 L A 0.2635
256 T A 0.1363
257 V A -0.1106
258 K A -0.7938
259 G A -0.3935
260 G A 0.0000
261 T A -0.4368
262 G A -0.6032
263 A A 0.0000
264 I A 0.0000
265 V A 0.0000
266 E A 0.0000
267 Y A 0.0000
268 H A -0.7844
269 G A -0.9870
270 P A -0.8716
271 G A 0.0000
272 V A 0.0000
273 D A -1.5341
274 S A -0.7043
275 I A 0.0000
276 S A 0.0000
277 C A 0.0000
278 T A 0.0000
279 G A 0.0000
280 M A 0.0000
281 A A 0.0000
282 T A 0.0000
283 I A 0.0000
284 C A 0.0000
285 N A 0.0000
286 M A 0.0000
287 G A 0.0000
288 A A 0.0000
289 E A 0.0000
290 I A 0.0000
291 G A 0.0000
292 A A 0.0000
293 T A 0.0000
294 T A 0.0000
295 S A 0.0000
296 V A 0.0000
297 F A 0.0000
298 P A -0.2262
299 Y A 0.0000
300 N A -1.2749
301 H A -1.9159
302 R A -1.5705
303 M A 0.0000
304 K A -1.8649
305 K A -1.8224
306 Y A 0.0000
307 L A 0.0000
308 S A -1.7817
309 K A -1.8310
310 T A -1.2053
311 G A -1.5001
312 R A 0.0000
313 E A -1.9523
314 D A -2.2395
315 I A 0.0000
316 A A 0.0000
317 N A -2.5718
318 L A 0.0000
319 A A 0.0000
320 D A -2.5917
321 E A -2.7095
322 F A 0.0000
323 K A -1.8239
324 D A -1.5377
325 H A 0.0000
326 L A 0.0000
327 V A -0.0514
328 P A -0.3734
329 D A -0.6690
330 P A -0.6495
331 G A -0.8686
332 C A -0.7618
333 H A -1.1762
334 Y A -0.8148
335 D A -1.4799
336 Q A -0.9825
337 L A 0.0880
338 I A 0.0000
339 E A -1.8260
340 I A 0.0000
341 N A -1.5574
342 L A 0.0000
343 S A -1.4188
344 E A -2.3219
345 L A 0.0000
346 K A -1.5997
347 P A 0.0000
348 H A -0.5991
349 I A 0.0000
350 N A 0.0000
351 G A 0.0000
352 P A 0.0000
353 F A 0.5301
354 T A 0.4650
355 P A 0.0000
356 D A 0.2584
357 L A 0.8977
358 A A 0.2563
359 H A 0.0000
360 P A -0.7189
361 V A 0.0000
362 A A -1.2870
363 E A -1.8522
364 V A 0.0000
365 G A 0.0000
366 K A -3.2743
367 V A -2.1653
368 A A 0.0000
369 E A -3.5896
370 K A -3.4126
371 E A -2.5993
372 G A -1.9631
373 W A -1.5869
374 P A -1.1482
375 L A -1.2331
376 D A -1.5529
377 I A 0.0000
378 R A -1.4488
379 V A 0.0000
380 G A 0.0000
381 L A 0.0000
382 I A 0.0000
383 G A 0.0000
384 S A 0.0000
385 C A 0.0000
386 T A 0.0000
387 N A 0.0000
388 S A 0.0000
389 S A 0.0000
390 Y A 0.0000
391 E A -0.6108
392 D A 0.0000
393 M A 0.0000
394 G A 0.0000
395 R A -0.8040
396 S A 0.0000
397 A A 0.0000
398 A A -0.8850
399 V A 0.0000
400 A A 0.0000
401 K A -1.0366
402 Q A 0.0000
403 A A 0.0000
404 L A -0.5387
405 A A -0.3876
406 H A -1.3091
407 G A -1.1043
408 L A -1.3526
409 K A -2.3497
410 C A -1.8886
411 K A -2.4244
412 S A 0.0000
413 Q A -1.4459
414 F A 0.0000
415 T A 0.0000
416 I A 0.0000
417 T A 0.0000
418 P A 0.0000
419 G A 0.0000
420 S A 0.0000
421 E A 0.0000
422 Q A -1.0816
423 I A 0.0000
424 R A -0.9597
425 A A -1.3402
426 T A 0.0000
427 I A 0.0000
428 E A -1.7119
429 R A -1.8706
430 D A -1.5010
431 G A -0.9574
432 Y A -0.7634
433 A A 0.0000
434 Q A -1.2069
435 I A -0.6372
436 L A 0.0000
437 R A -1.1772
438 D A -1.6912
439 L A 0.0000
440 G A -1.5646
441 G A -0.8430
442 I A 0.2107
443 V A 0.1016
444 L A 0.0000
445 A A 0.0000
446 N A 0.0000
447 A A 0.0000
448 C A 0.0000
449 G A 0.0000
450 P A 0.0000
451 C A 0.0000
452 I A 0.0000
453 G A 0.0000
454 Q A 0.0000
455 W A -0.5323
456 D A -1.2313
457 R A 0.0000
458 K A -2.9486
459 D A -2.4595
460 I A 0.0000
461 K A -3.3692
462 K A -3.4614
463 G A -2.2976
464 E A -2.3032
465 K A -2.3433
466 N A 0.0000
467 T A 0.0000
468 I A 0.0000
469 V A 0.0000
470 T A 0.0000
471 S A 0.0000
472 Y A 0.0000
473 N A 0.0000
474 R A 0.0000
475 N A 0.0000
476 F A 0.0000
477 T A -0.1827
478 G A -0.3289
479 R A 0.0000
480 N A 0.0000
481 D A -0.7342
482 A A -0.5490
483 N A 0.0000
484 P A -1.1258
485 E A -1.6122
486 T A 0.0000
487 H A 0.0000
488 A A 0.0000
489 F A 0.0000
490 V A 0.0000
491 T A 0.0000
492 S A 0.0000
493 P A 0.0000
494 E A 0.0000
495 I A 0.0000
496 V A 0.0000
497 T A 0.0000
498 A A 0.0000
499 L A 0.0000
500 A A 0.0000
501 I A 0.0000
502 A A -0.7804
503 G A 0.0000
504 T A -1.1143
505 L A 0.0000
506 K A -2.3151
507 F A 0.0000
508 N A 0.0000
509 P A 0.0000
510 E A -0.8785
511 T A -0.4400
512 D A -0.6652
513 Y A 0.1248
514 L A -0.3152
515 T A -1.3133
516 G A 0.0000
517 T A -1.7707
518 D A -2.7917
519 G A -2.4609
520 K A -2.9878
521 K A -2.5206
522 F A -1.2571
523 R A -1.2178
524 L A 0.0000
525 E A -1.9001
526 A A -1.2664
527 P A 0.0000
528 D A -2.2174
529 A A -1.3046
530 D A -1.4279
531 E A 0.0000
532 L A 0.0000
533 P A 0.0000
534 K A -2.5000
535 G A -2.2957
536 E A -2.7021
537 F A -1.8067
538 D A -1.8339
539 P A -1.5776
540 G A -1.6605
541 Q A -2.0079
542 D A -2.4660
543 T A -1.4280
544 Y A -1.1286
545 Q A -1.6262
546 H A -1.4807
547 P A -1.3693
548 P A -1.7587
549 K A -2.4437
550 D A -2.5731
551 S A -1.7278
552 S A -1.7864
553 G A -1.4906
554 Q A -1.5823
555 H A -1.7657
556 V A -1.3802
557 D A -2.0085
558 V A -0.5630
559 S A -0.5666
560 P A -0.4488
561 T A -0.4936
562 S A 0.0000
563 Q A -1.4915
564 R A 0.0000
565 L A 0.0000
566 Q A -0.0329
567 L A 1.0985
568 L A 0.2565
569 E A -1.0538
570 P A -1.1219
571 F A 0.0000
572 D A -2.7921
573 K A -2.5824
574 W A -1.9490
575 D A -2.1033
576 G A -2.0585
577 K A -3.0236
578 D A -2.5620
579 L A 0.0000
580 E A -2.8268
581 D A -2.1476
582 L A 0.0000
583 Q A 0.0000
584 I A 0.0000
585 L A 0.0000
586 I A 0.0000
587 K A 0.0000
588 V A 0.0000
589 K A -1.5402
590 G A -1.1673
591 K A -1.0251
592 C A 0.0000
593 T A 0.0000
594 T A 0.0000
595 D A -0.2926
596 H A -0.2137
597 I A 0.0000
598 S A 0.0000
599 A A 0.0000
600 A A -0.1184
601 G A 0.0000
602 P A -0.4048
603 W A -0.0865
604 L A 0.0000
605 K A -0.5496
606 F A -0.4445
607 R A 0.0000
608 G A 0.0000
609 H A 0.0000
610 L A 0.0000
611 D A -0.8215
612 N A -0.8544
613 I A 0.0000
614 S A 0.0000
615 N A -0.9516
616 N A 0.0000
617 L A 0.0000
618 L A 0.0000
619 I A 0.0268
620 G A -0.1864
621 A A 0.0000
622 I A -0.3243
623 N A 0.0000
624 I A -0.1879
625 E A -0.5881
626 N A -0.6023
627 G A -1.0943
628 K A -1.6760
629 A A -0.7290
630 N A -0.6783
631 S A -0.8229
632 V A 0.0000
633 R A -0.5071
634 N A -0.3294
635 A A 0.4923
636 V A 1.1942
637 T A -0.1144
638 Q A -0.9680
639 E A -1.7033
640 F A -0.5914
641 G A -0.8214
642 P A -0.8216
643 V A 0.0000
644 P A 0.0000
645 D A -2.1262
646 T A 0.0000
647 A A 0.0000
648 R A -1.8338
649 Y A -1.2822
650 Y A 0.0000
651 K A -2.2281
652 K A -2.5600
653 H A -1.9604
654 G A -1.6214
655 I A -0.9655
656 R A -1.0631
657 W A 0.0000
658 V A 0.0000
659 V A 0.0000
660 I A 0.0000
661 G A 0.0000
662 D A 0.0000
663 E A -1.4289
664 N A 0.0000
665 Y A 0.0000
666 G A 0.0000
667 E A 0.0000
668 G A -0.0820
669 S A 0.0000
670 S A 0.0000
671 R A 0.0000
672 E A 0.0000
673 H A 0.0000
674 A A 0.0000
675 A A 0.0000
676 L A 0.0000
677 E A 0.0000
678 P A 0.0000
679 R A 0.0000
680 H A -0.7671
681 L A 0.0000
682 G A -1.0523
683 G A 0.0000
684 R A 0.0000
685 A A 0.0000
686 I A 0.0000
687 I A 0.0000
688 T A 0.0000
689 K A -0.9473
690 S A -0.6367
691 F A -0.2790
692 A A 0.0000
693 R A 0.0000
694 I A 0.0000
695 H A 0.0000
696 E A -0.1845
697 T A -0.1579
698 N A 0.0000
699 L A 0.0000
700 K A 0.0000
701 K A 0.0000
702 Q A 0.0000
703 G A 0.0000
704 L A 0.0000
705 L A 0.0000
706 P A 0.0000
707 L A 0.0000
708 T A -0.5405
709 F A 0.0000
710 A A -0.9384
711 D A -1.9742
712 P A -1.4752
713 A A -1.3116
714 D A 0.0000
715 Y A 0.0000
716 N A -2.0073
717 K A -1.6966
718 I A 0.0000
719 H A -0.7977
720 P A 0.0000
721 V A 0.4163
722 D A 0.0000
723 K A -1.3159
724 L A 0.0000
725 T A 0.0000
726 I A 0.0000
727 Q A -1.5529
728 G A 0.0000
729 L A 0.0000
730 K A -2.9541
731 D A -2.2654
732 F A 0.0000
733 T A -1.1447
734 P A -0.8677
735 G A -1.0649
736 K A -1.0764
737 P A -0.7512
738 L A 0.0000
739 K A -0.7340
740 C A 0.0000
741 I A -1.0030
742 I A 0.0000
743 K A -1.5504
744 H A -1.5648
745 P A -1.2932
746 N A -1.8950
747 G A -1.6610
748 T A -1.4996
749 Q A -1.8855
750 E A -1.1725
751 T A -0.5304
752 I A 0.0000
753 L A -0.2270
754 L A 0.0000
755 N A -0.7860
756 H A -0.6919
757 T A -0.8255
758 F A 0.0000
759 N A -0.8751
760 E A -1.1852
761 T A -0.7200
762 Q A 0.0000
763 I A 0.0000
764 E A -1.0322
765 W A 0.0000
766 F A 0.0000
767 R A -1.6467
768 A A 0.0000
769 G A 0.0000
770 S A 0.0000
771 A A 0.0000
772 L A -0.2579
773 N A -1.2203
774 R A -0.8693
775 M A 0.0000
776 K A -1.5246
777 E A -1.4332
778 L A 0.0982
779 Q A -0.9367
780 Q A -1.5061
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Laboratory of Theory of Biopolymers 2018