Project name: Gelsolin

Status: done

Started: 2026-02-20 10:29:17
Settings
Chain sequence(s) A: MAPHRPAPALLCALSLALCALSLPVRAATASRGASQAGAPQGRVPEARPNSMVVEHPEFLKAGKEPGLQIWRVEKFDLVPVPTNLYGDFFTGDAYVILKTVQLRNGNLQYDLHYWLGNECSQDESGAAAIFTVQLDDYLNGRAVQHREVQGFESATFLGYFKSGLKYKKGGVASGFKHVVPNEVVVQRLFQVKGRRVVRATEVPVSWESFNNGDCFILDLGNNIHQWCGSNSNRYERLKATQVSKGIRDNERSGRARVHVSEEGTEPEAMLQVLGPKPALPAGTEDTAKEDAANRKLAKLYKVSNGAGTMSVSLVADENPFAQGALKSEDCFILDHGKDGKIFVWKGKQANTEERKAALKTASDFITKMDYPKQTQVSVLPEGGETPLFKQFFKNWRDPDQTDGLGLSYLSSHIANVERVPFDAATLHTSTAMAAQHGMDDDGTGQKQIWRIEGSNKVPVDPATYGQFYGGDSYIILYNYRHGGRQGQIIYNWQGAQSTQDEVAASAILTAQLDEELGGTPVQVLPKAGALNSNDAFVLKTPSAAYLWVGTGASEAEKTGAQELLRVLRAQPVQVAEGSEPDGFWEALGGKAAYRTSPRLKDKKMDAHPPRLFACSNKIGRFVIEEVPGELMQEDLATDDVMLLDTWDQVFVWVGKDSQEEEKTEALTSAKRYIETDPANRDRRTPITVVKQGFEPPSFVGWFLGWDDDYWSVDPLDRAMAELAA
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                                          (00:17:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:17:22)
Show buried residues

Minimal score value
-4.4695
Maximal score value
2.7296
Average score
-0.8317
Total score value
-603.0184

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 1.0241
2 A A -0.0075
3 P A -0.9705
4 H A -2.1021
5 R A -2.5551
6 P A -1.5905
7 A A -0.4505
8 P A -0.1080
9 A A 1.0755
10 L A 2.4803
11 L A 2.7296
12 C A 2.1613
13 A A 1.4814
14 L A 1.9136
15 S A 1.3209
16 L A 2.0639
17 A A 1.6840
18 L A 2.2464
19 C A 1.8581
20 A A 1.4809
21 L A 1.9539
22 S A 1.2899
23 L A 2.0006
24 P A 1.0107
25 V A 1.0269
26 R A -0.9514
27 A A -0.5172
28 A A -0.3457
29 T A -0.2395
30 A A -0.4646
31 S A -1.2417
32 R A -2.1761
33 G A -1.4778
34 A A -0.9279
35 S A -0.8584
36 Q A -1.3580
37 A A -0.7770
38 G A -0.7033
39 A A -0.6211
40 P A -1.2262
41 Q A -1.7854
42 G A -1.5945
43 R A -1.8689
44 V A 0.0230
45 P A -0.9517
46 E A -2.1108
47 A A -1.7277
48 R A -2.8519
49 P A -1.8899
50 N A -1.3886
51 S A -0.0874
52 M A 1.2848
53 V A 1.4993
54 V A 1.2275
55 E A -0.5645
56 H A -0.7097
57 P A -0.7384
58 E A 0.0000
59 F A 0.0000
60 L A -0.8981
61 K A -2.1761
62 A A 0.0000
63 G A 0.0000
64 K A -3.0582
65 E A -3.1617
66 P A -1.8134
67 G A -1.0560
68 L A -0.2615
69 Q A -0.6421
70 I A 0.0000
71 W A 0.0000
72 R A 0.0000
73 V A 0.0000
74 E A 0.0000
75 K A -1.4430
76 F A 0.3832
77 D A -0.5900
78 L A 0.0000
79 V A 0.3139
80 P A -0.2259
81 V A 0.0000
82 P A -0.4268
83 T A -0.2360
84 N A -0.6645
85 L A 0.0000
86 Y A -0.4640
87 G A 0.0000
88 D A -0.6047
89 F A 0.0000
90 F A -1.1297
91 T A 0.0000
92 G A -1.6143
93 D A 0.0000
94 A A 0.0000
95 Y A 0.0000
96 V A 0.0000
97 I A 0.0000
98 L A 0.0000
99 K A -0.6352
100 T A 0.0000
101 V A 0.0000
102 Q A -2.4763
103 L A -1.9669
104 R A -2.4068
105 N A -2.6392
106 G A -2.5892
107 N A -2.0063
108 L A -1.8678
109 Q A -0.9500
110 Y A 0.0000
111 D A -0.4348
112 L A 0.0000
113 H A 0.0000
114 Y A 0.0000
115 W A 0.0000
116 L A -0.5818
117 G A 0.0000
118 N A -2.2308
119 E A -2.8233
120 C A -1.8123
121 S A -1.9455
122 Q A -2.4353
123 D A -2.4809
124 E A -1.4944
125 S A -0.9973
126 G A -0.8445
127 A A 0.0000
128 A A 0.0000
129 A A 0.0979
130 I A 0.8719
131 F A 0.5207
132 T A 0.0000
133 V A -0.2571
134 Q A -0.4961
135 L A 0.0000
136 D A 0.0000
137 D A -1.9991
138 Y A -0.7274
139 L A 0.0000
140 N A -2.2852
141 G A -2.1224
142 R A -2.1281
143 A A 0.0000
144 V A 0.0000
145 Q A 0.0000
146 H A 0.0000
147 R A -0.1773
148 E A 0.0000
149 V A -0.3163
150 Q A -0.4487
151 G A -0.1928
152 F A 0.5913
153 E A 0.0000
154 S A 0.2395
155 A A 0.5069
156 T A 0.2716
157 F A 0.0000
158 L A 0.5537
159 G A 0.0000
160 Y A -0.3083
161 F A 0.0000
162 K A -2.9404
163 S A -2.1221
164 G A -1.3078
165 L A -1.0438
166 K A -1.7875
167 Y A -1.2733
168 K A -1.6218
169 K A -2.5562
170 G A -1.5327
171 G A -0.7834
172 V A -0.1128
173 A A -0.1944
174 S A -0.4124
175 G A -0.0672
176 F A 1.0144
177 K A -0.8246
178 H A -0.3833
179 V A 0.3523
180 V A -0.3707
181 P A -1.4966
182 N A -2.8176
183 E A -3.1725
184 V A -1.2070
185 V A 0.4456
186 V A 0.0000
187 Q A 0.1308
188 R A 0.0000
189 L A 0.0000
190 F A 0.0000
191 Q A -0.6692
192 V A 0.0000
193 K A -0.5855
194 G A 0.0000
195 R A -1.6036
196 R A -1.6581
197 V A -0.8292
198 V A 0.0000
199 R A -0.7529
200 A A 0.0000
201 T A -1.2827
202 E A -2.0157
203 V A -1.0649
204 P A -0.7204
205 V A -0.2375
206 S A -0.4945
207 W A 0.0000
208 E A -1.9036
209 S A -1.0996
210 F A 0.0000
211 N A -0.8436
212 N A -0.9927
213 G A -1.2716
214 D A 0.0000
215 C A 0.0000
216 F A 0.0000
217 I A 0.0000
218 L A 0.0000
219 D A 0.0000
220 L A -0.0629
221 G A -1.1615
222 N A -1.9617
223 N A -1.7265
224 I A 0.0000
225 H A 0.0000
226 Q A 0.0000
227 W A 0.0000
228 C A 0.0000
229 G A 0.0000
230 S A -1.4838
231 N A -1.7171
232 S A -1.2678
233 N A -0.8382
234 R A -0.7821
235 Y A 0.0721
236 E A 0.0000
237 R A -0.1670
238 L A 0.1761
239 K A -0.4941
240 A A 0.0000
241 T A 0.0000
242 Q A -1.4591
243 V A 0.0000
244 S A 0.0000
245 K A -1.7618
246 G A -1.3810
247 I A 0.0000
248 R A -2.3376
249 D A -1.9316
250 N A -1.4826
251 E A -1.2456
252 R A 0.0000
253 S A -1.8953
254 G A -2.5070
255 R A -2.8980
256 A A 0.0000
257 R A -2.0321
258 V A 0.0000
259 H A -0.2987
260 V A 0.1330
261 S A -0.6464
262 E A -1.6178
263 E A -1.7694
264 G A -1.3269
265 T A -1.1347
266 E A -1.1829
267 P A -1.2072
268 E A -1.9171
269 A A -1.0213
270 M A 0.0000
271 L A -0.6735
272 Q A -1.1434
273 V A -0.0819
274 L A -0.2599
275 G A -0.5654
276 P A -0.6521
277 K A -1.1037
278 P A -0.8405
279 A A -0.4150
280 L A -0.5437
281 P A -0.4916
282 A A -0.6815
283 G A -1.0266
284 T A -1.1825
285 E A -2.0929
286 D A -1.8953
287 T A -1.6391
288 A A -1.1044
289 K A -1.7132
290 E A -1.9614
291 D A 0.0000
292 A A -1.1306
293 A A -1.1232
294 N A 0.0000
295 R A -1.4626
296 K A -2.1662
297 L A -1.2884
298 A A 0.0000
299 K A -1.2865
300 L A 0.0000
301 Y A 0.0000
302 K A -0.1005
303 V A 0.0000
304 S A -0.8240
305 N A -0.9257
306 G A -0.8376
307 A A -0.4824
308 G A -0.6717
309 T A -0.2961
310 M A -0.2463
311 S A 0.0326
312 V A 0.8843
313 S A 0.7378
314 L A 0.8051
315 V A 0.6192
316 A A -0.5847
317 D A -2.0624
318 E A -1.9894
319 N A 0.0000
320 P A -0.6386
321 F A 0.0000
322 A A -0.3265
323 Q A -1.2548
324 G A -1.1440
325 A A -0.7105
326 L A 0.0000
327 K A -2.7965
328 S A -2.6479
329 E A -2.8632
330 D A 0.0000
331 C A 0.0000
332 F A 0.0000
333 I A 0.0000
334 L A 0.0000
335 D A 0.0000
336 H A -1.2805
337 G A 0.0000
338 K A -2.5769
339 D A -2.9674
340 G A -2.1732
341 K A -1.3739
342 I A 0.0000
343 F A 0.0000
344 V A 0.0000
345 W A 0.0000
346 K A 0.0000
347 G A 0.0000
348 K A -3.4379
349 Q A -3.0570
350 A A 0.0000
351 N A -2.2789
352 T A -1.9833
353 E A -2.4975
354 E A 0.0000
355 R A -2.3280
356 K A -2.2298
357 A A -1.6809
358 A A 0.0000
359 L A 0.0000
360 K A -2.3480
361 T A -1.5080
362 A A 0.0000
363 S A -2.0683
364 D A -2.9481
365 F A 0.0000
366 I A 0.0000
367 T A -2.4090
368 K A -2.6652
369 M A -1.8326
370 D A -2.6717
371 Y A 0.0000
372 P A -1.8884
373 K A -2.3994
374 Q A -1.4472
375 T A 0.0000
376 Q A -0.8227
377 V A 0.0000
378 S A 0.0000
379 V A 0.0000
380 L A 0.0000
381 P A 0.0000
382 E A -1.9183
383 G A -1.6481
384 G A -0.9252
385 E A 0.0000
386 T A -0.3150
387 P A 0.0000
388 L A -0.1883
389 F A 0.0000
390 K A -0.7457
391 Q A -0.4838
392 F A 0.0000
393 F A 0.0000
394 K A -0.3513
395 N A -1.3777
396 W A -1.2934
397 R A -2.3238
398 D A -2.6966
399 P A -2.0100
400 D A -3.0933
401 Q A -3.0123
402 T A -2.2302
403 D A -2.9946
404 G A -2.0112
405 L A -0.9018
406 G A -0.6680
407 L A 0.7650
408 S A 0.6087
409 Y A 1.5813
410 L A 1.2564
411 S A 0.1435
412 S A -0.1132
413 H A 0.0621
414 I A 1.4066
415 A A 0.3622
416 N A -0.8690
417 V A 0.0900
418 E A -1.9425
419 R A -1.9191
420 V A 0.0778
421 P A -0.6178
422 F A -0.7831
423 D A -1.6978
424 A A 0.0000
425 A A -1.1964
426 T A -0.6057
427 L A 0.0000
428 H A -0.3216
429 T A -0.1536
430 S A -0.0113
431 T A 0.1439
432 A A 0.1252
433 M A 0.3355
434 A A -0.0055
435 A A -0.5687
436 Q A -1.4845
437 H A -1.5896
438 G A -1.2415
439 M A -0.9261
440 D A -2.5348
441 D A -2.6191
442 D A -2.6930
443 G A -2.0052
444 T A -1.5651
445 G A -2.0844
446 Q A -2.1919
447 K A -1.9247
448 Q A -1.6815
449 I A 0.0000
450 W A -0.9232
451 R A -1.2125
452 I A 0.0000
453 E A -2.0915
454 G A -1.8684
455 S A -1.3844
456 N A -1.8136
457 K A -1.3918
458 V A -0.7817
459 P A -1.0053
460 V A -1.0768
461 D A -2.1290
462 P A -1.8083
463 A A -1.9402
464 T A -1.5480
465 Y A -1.3483
466 G A -0.5348
467 Q A -0.2520
468 F A 0.4467
469 Y A 0.6420
470 G A 0.0890
471 G A -0.7450
472 D A -0.8503
473 S A 0.0000
474 Y A 0.0000
475 I A 0.0000
476 I A 0.0000
477 L A -0.8856
478 Y A 0.0000
479 N A -1.6371
480 Y A -2.7714
481 R A -4.3106
482 H A -3.7761
483 G A -2.5838
484 G A -2.4375
485 R A -3.5698
486 Q A -3.3164
487 G A -2.0645
488 Q A -1.4469
489 I A -0.0942
490 I A 0.0000
491 Y A -0.2994
492 N A -0.5166
493 W A 0.0000
494 Q A -0.9228
495 G A 0.0000
496 A A -0.7100
497 Q A -1.4869
498 S A -1.4267
499 T A -1.6898
500 Q A -2.0854
501 D A -2.5542
502 E A -1.8373
503 V A -0.7530
504 A A -0.3047
505 A A 0.0000
506 S A 0.0000
507 A A 0.0727
508 I A 1.0739
509 L A 0.0000
510 T A -0.9504
511 A A -1.7328
512 Q A -2.1699
513 L A 0.0000
514 D A -2.8463
515 E A -3.8074
516 E A -3.1718
517 L A -1.4079
518 G A -1.1628
519 G A -0.2207
520 T A 0.1589
521 P A 0.1381
522 V A 1.4971
523 Q A 0.5916
524 V A 1.7089
525 L A 1.2974
526 P A 0.0821
527 K A -1.0018
528 A A 0.0000
529 G A -0.5379
530 A A 0.0283
531 L A 0.0000
532 N A -0.7340
533 S A 0.0000
534 N A -1.5298
535 D A -1.8297
536 A A -1.1765
537 F A -0.0619
538 V A 0.1186
539 L A 0.0000
540 K A -0.9973
541 T A -0.6073
542 P A -0.5442
543 S A -0.4616
544 A A -0.3203
545 A A 0.0000
546 Y A 0.0000
547 L A 0.0000
548 W A 0.0000
549 V A -0.8205
550 G A 0.0000
551 T A -0.9823
552 G A 0.0000
553 A A 0.0000
554 S A -2.0176
555 E A -2.4724
556 A A -1.5834
557 E A -2.2735
558 K A -2.2847
559 T A -1.8919
560 G A -1.8242
561 A A 0.0000
562 Q A -2.3773
563 E A -2.9406
564 L A -1.4279
565 L A 0.0000
566 R A -3.3393
567 V A 0.0000
568 L A -2.0524
569 R A -3.0582
570 A A -1.8770
571 Q A -1.8674
572 P A -0.7221
573 V A 0.8872
574 Q A -0.5475
575 V A 0.0000
576 A A -0.3474
577 E A -0.6518
578 G A -0.7312
579 S A -0.9613
580 E A -1.1632
581 P A -1.2823
582 D A -2.7475
583 G A -1.7878
584 F A 0.0000
585 W A 0.0000
586 E A -3.0029
587 A A -1.8959
588 L A 0.0000
589 G A -1.8001
590 G A -2.3097
591 K A -2.5642
592 A A -0.9969
593 A A -0.3235
594 Y A -0.3160
595 R A -0.2763
596 T A -0.4211
597 S A -0.6897
598 P A -0.8478
599 R A 0.0000
600 L A 0.0000
601 K A -1.8937
602 D A -2.5581
603 K A -3.2906
604 K A -3.3874
605 M A -2.4351
606 D A -2.7859
607 A A -1.6149
608 H A -1.3308
609 P A -1.1205
610 P A -0.9114
611 R A -0.6091
612 L A 0.0000
613 F A 0.0000
614 A A -0.6127
615 C A 0.0000
616 S A 0.0000
617 N A -1.5584
618 K A -1.8592
619 I A -0.5196
620 G A -1.2403
621 R A -1.3482
622 F A 0.0000
623 V A 0.0000
624 I A 0.0000
625 E A -1.4431
626 E A -0.9887
627 V A -0.6886
628 P A -0.9053
629 G A -1.7557
630 E A -1.8508
631 L A 0.0000
632 M A -0.2500
633 Q A 0.0000
634 E A -2.0049
635 D A -1.3165
636 L A 0.0000
637 A A -1.2518
638 T A -2.0969
639 D A -2.5507
640 D A -1.7836
641 V A 0.0000
642 M A 0.0000
643 L A 0.0000
644 L A 0.0000
645 D A 0.0000
646 T A 0.0000
647 W A -0.8981
648 D A -2.0625
649 Q A -1.2053
650 V A 0.0000
651 F A 0.0000
652 V A 0.0000
653 W A 0.0000
654 V A 0.0000
655 G A 0.0000
656 K A -3.2778
657 D A -3.4996
658 S A -3.0895
659 Q A -3.4422
660 E A -3.3170
661 E A -2.6592
662 E A 0.0000
663 K A -1.8553
664 T A -1.4493
665 E A -1.1976
666 A A 0.0000
667 L A -0.3334
668 T A -0.9165
669 S A 0.0000
670 A A 0.0000
671 K A -2.7422
672 R A -3.1100
673 Y A 0.0000
674 I A 0.0000
675 E A -3.6075
676 T A -2.1636
677 D A -1.7899
678 P A -0.9727
679 A A -0.9443
680 N A -2.2729
681 R A 0.0000
682 D A -3.6997
683 R A -4.4695
684 R A -3.7362
685 T A 0.0000
686 P A -1.3198
687 I A -0.0471
688 T A 0.5024
689 V A 0.7507
690 V A 0.0000
691 K A -0.9188
692 Q A -1.0720
693 G A -0.7718
694 F A 0.9339
695 E A 0.0990
696 P A 0.0661
697 P A -0.0055
698 S A -0.2490
699 F A 0.0000
700 V A -0.1211
701 G A -0.0414
702 W A 0.0000
703 F A 0.0000
704 L A 1.6028
705 G A 0.5737
706 W A -0.7188
707 D A -2.7371
708 D A -3.2296
709 D A -3.0805
710 Y A -2.1711
711 W A -1.4481
712 S A -1.2281
713 V A -0.7463
714 D A -1.3465
715 P A -1.1803
716 L A -1.2229
717 D A -2.2540
718 R A -1.6435
719 A A -1.1958
720 M A -1.0626
721 A A -1.3515
722 E A -2.0256
723 L A 0.0000
724 A A -0.7359
725 A A -0.8042
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Laboratory of Theory of Biopolymers 2018