Project name: 7be92ed1cfb2646

Status: done

Started: 2025-02-06 20:03:12
Settings
Chain sequence(s) A: ERNSGDLQLPQEIAMLVPNKTQVVPKSGGEGKVKDIFASPALVRAGGVMIAFVEGRTKNKLFPEVIDLSSSDIVAGYIKAPETWQSLVAEVTKEYWQAHTVLESANNSNHRVGVARLPTGITRGNKVFLLVGSYEERREIDDYIWKAEAWNIKVIEGEATQSTEVQPTQPINWSEPKPLFQTDSPNNKGDLKEFLGGGGSGIVMGNGTLVFPLTAKDESNKVFSLITYSTDDGQKWEIPGGVSSVACRSPRVTEWEEGTLLMVTYCEDGRKVFESRDMGKTWTEAFGTLPGVWLKSGPELPEVSLRVDALITATIEGRKVMLYTQKVRHFLEVDEPNALHLWVTDNNRTFHLGPFSVDCAENKTFANTLLYSDDALHLLQAKGDHESTAVSLARLTEELNTINSVLSTWVQLDASFSESSIPTAGLVGFLSNTTSSGDTWIDGYRCMNATVTKAAKVENGFKFTGPGSRATWPVNSRWDIKQYGFVDYNFTIVAMATIHQVPSESTPLLGASLRGNKRTKLIGLSYGAGGKWETVYDGTKTVQGGTWEPGREYQVALMLQDGNKGFVYVDGVLVGNPAMLPTPEERWTEFSHFYFGGDEGDSGSDATLTDVFLYNRPLSVGELKMIKEVED
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                                          (00:15:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:15:08)
Show buried residues

Minimal score value
-3.7555
Maximal score value
2.105
Average score
-0.7292
Total score value
-460.1553

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
30 E A -3.1411
31 R A -3.4836
32 N A -3.1374
33 S A -2.1483
34 G A -1.8581
35 D A -1.8029
36 L A 0.0172
37 Q A -1.0920
38 L A -0.3723
39 P A -1.3134
40 Q A -1.9772
41 E A -1.8105
42 I A 0.0000
43 A A -0.1384
44 M A 0.0000
45 L A 0.0000
46 V A -0.5609
47 P A -1.2942
48 N A -2.1769
49 K A -2.4667
50 T A 0.0000
51 Q A -1.7964
52 V A 0.0000
53 V A -1.4608
54 P A -1.8850
55 K A -1.8952
56 S A -1.4550
57 G A -1.4466
58 G A -1.9530
59 E A -2.6558
60 G A -2.0998
61 K A -2.5007
62 V A -1.3005
63 K A 0.0000
64 D A -1.2196
65 I A 0.0000
66 F A 0.0000
67 A A -0.1645
68 S A -0.0029
69 P A 0.0000
70 A A 0.0000
71 L A 0.0000
72 V A 0.0000
73 R A -0.9663
74 A A 0.0000
75 G A -1.5941
76 G A -1.1172
77 V A 0.0000
78 M A 0.0000
79 I A 0.0000
80 A A 0.0000
81 F A 0.0000
82 V A 0.0000
83 E A 0.0000
84 G A 0.0000
85 R A -0.6904
86 T A -0.9193
87 K A -1.1383
88 N A -1.3493
89 K A -1.4830
90 L A 0.1550
91 F A -0.1412
92 P A -0.7485
93 E A -1.2627
94 V A 0.0969
95 I A 0.4149
96 D A -1.4366
97 L A 0.0000
98 S A 0.0000
99 S A -1.2766
100 S A 0.0000
101 D A -0.9516
102 I A 0.0000
103 V A 0.0000
104 A A 0.0000
105 G A 0.0000
106 Y A 0.0000
107 I A 0.0000
108 K A -1.4164
109 A A -1.2126
110 P A -1.3567
111 E A -2.2930
112 T A -1.2483
113 W A -1.0078
114 Q A -1.3219
115 S A -1.1052
116 L A 0.0000
117 V A -0.3389
118 A A -0.5085
119 E A -0.8760
120 V A 0.0000
121 T A -0.6675
122 K A -1.3788
123 E A -1.6853
124 Y A -0.0679
125 W A -0.5479
126 Q A -0.9602
127 A A 0.0000
128 H A 0.0000
129 T A 0.0000
130 V A 0.0000
131 L A 0.0000
132 E A -1.9568
133 S A -1.3567
134 A A -1.3711
135 N A -2.4259
136 N A -2.5970
137 S A -2.1667
138 N A -2.0533
139 H A -1.4720
140 R A -2.4488
141 V A 0.0000
142 G A 0.0000
143 V A 0.0000
144 A A 0.0000
145 R A -0.6756
146 L A -0.0584
147 P A 0.0000
148 T A 0.0000
149 G A 0.0000
150 I A 0.0000
151 T A -0.9648
152 R A -1.5005
153 G A -1.5999
154 N A -2.0327
155 K A -2.3169
156 V A 0.0000
157 F A 0.0000
158 L A 0.0000
159 L A 0.0000
160 V A 0.0000
161 G A 0.0000
162 S A -0.4421
163 Y A -0.5343
164 E A 0.0000
165 E A -1.3709
166 R A -1.2668
167 R A 0.0000
168 E A -0.0415
169 I A 0.9865
170 D A -1.1639
171 D A -0.9715
172 Y A 1.2249
173 I A 1.7108
174 W A 0.4919
175 K A -0.6640
176 A A -1.0519
177 E A -1.4450
178 A A -0.6006
179 W A -0.4528
180 N A -0.7433
181 I A 0.0000
182 K A -1.0326
183 V A 0.0000
184 I A 0.0000
185 E A -2.0025
186 G A 0.0000
187 E A -2.9252
188 A A 0.0000
189 T A -1.6234
190 Q A -1.8144
191 S A -1.1739
192 T A -0.9955
193 E A -1.5579
194 V A 0.2685
195 Q A -1.1337
196 P A -0.8823
197 T A -0.7014
198 Q A -0.8716
199 P A 0.0000
200 I A 0.0000
201 N A -2.0431
202 W A -1.6160
203 S A -1.9107
204 E A -2.4297
205 P A -1.9382
206 K A -2.5904
207 P A -1.4278
208 L A 0.0000
209 F A -1.3426
210 Q A -2.2093
211 T A -1.5237
212 D A -2.5065
213 S A -2.1384
214 P A -2.1252
215 N A -3.0555
216 N A -3.3097
217 K A -3.1311
218 G A -2.8181
219 D A -3.3963
220 L A -2.3642
221 K A -1.9922
222 E A -1.0299
223 F A -0.1295
224 L A -0.0678
225 G A 0.0000
226 G A 0.0000
227 G A 0.0000
228 G A 0.0000
229 S A 0.1444
230 G A 0.0000
231 I A 0.4479
232 V A 0.3543
233 M A 0.0000
234 G A -1.4974
235 N A -1.7139
236 G A -0.8328
237 T A 0.0000
238 L A 0.0000
239 V A 0.0000
240 F A 0.0000
241 P A 0.0000
242 L A 0.0000
243 T A -0.2988
244 A A 0.0000
245 K A -1.9479
246 D A -2.7219
247 E A -3.4428
248 S A -2.3903
249 N A -2.9392
250 K A -1.9019
251 V A 0.0000
252 F A -0.1073
253 S A 0.0000
254 L A 0.0000
255 I A 0.0000
256 T A 0.0000
257 Y A -0.4324
258 S A 0.0000
259 T A -1.1556
260 D A -1.5299
261 D A -1.5774
262 G A 0.0000
263 Q A -2.5342
264 K A -2.7486
265 W A -1.6377
266 E A -1.6329
267 I A -1.0604
268 P A 0.0000
269 G A -1.5089
270 G A 0.0000
271 V A 0.5938
272 S A 0.0000
273 S A -0.0079
274 V A 0.3414
275 A A -0.9443
276 C A 0.0000
277 R A -1.4807
278 S A -0.6839
279 P A 0.0000
280 R A 0.0000
281 V A 0.0000
282 T A 0.0000
283 E A -0.8731
284 W A -1.3133
285 E A -2.7066
286 E A -3.1432
287 G A -2.3335
288 T A 0.0000
289 L A 0.0000
290 L A 0.0000
291 M A 0.0000
292 V A 0.0000
293 T A 0.0000
294 Y A -0.8032
295 C A 0.0000
296 E A -2.6057
297 D A -2.8364
298 G A 0.0000
299 R A 0.0000
300 K A -0.7544
301 V A 0.0000
302 F A 0.0000
303 E A -0.9263
304 S A 0.0000
305 R A -2.8359
306 D A -1.9838
307 M A -1.1685
308 G A 0.0000
309 K A -2.1362
310 T A -1.2618
311 W A -0.9476
312 T A -0.8982
313 E A -1.3397
314 A A -0.3319
315 F A 0.5101
316 G A 0.0695
317 T A -0.0484
318 L A 0.0000
319 P A 0.0000
320 G A 0.0000
321 V A 0.0000
322 W A 0.1123
323 L A -0.5913
324 K A -1.4380
325 S A -1.8243
326 G A -1.1124
327 P A -1.3992
328 E A -1.9000
329 L A -0.6392
330 P A -0.7427
331 E A 0.1145
332 V A 1.3223
333 S A 0.5613
334 L A 0.2810
335 R A -0.0949
336 V A 0.0000
337 D A 0.0000
338 A A 0.0000
339 L A 0.0000
340 I A 0.2913
341 T A -0.0244
342 A A 0.0000
343 T A -1.2105
344 I A 0.0000
345 E A -2.2196
346 G A -1.5624
347 R A -1.3196
348 K A -1.4516
349 V A 0.0000
350 M A 0.0000
351 L A 0.0000
352 Y A 0.0000
353 T A 0.0000
354 Q A 0.0000
355 K A 0.0000
356 V A 0.0000
357 R A -0.6245
358 H A -0.1560
359 F A 1.0043
360 L A 1.1300
361 E A -0.7612
362 V A 0.4130
363 D A -1.6301
364 E A -1.2588
365 P A -0.7594
366 N A -0.4939
367 A A 0.0000
368 L A 0.0000
369 H A 0.0000
370 L A 0.0000
371 W A 0.0000
372 V A 0.0000
373 T A 0.0000
374 D A 0.0000
375 N A -0.4133
376 N A -0.4578
377 R A 0.0000
378 T A 0.0000
379 F A 0.0000
380 H A -0.3629
381 L A -0.2034
382 G A -0.2215
383 P A 0.0882
384 F A 0.0000
385 S A 0.0000
386 V A 0.6657
387 D A 0.0000
388 C A -0.5702
389 A A -1.0977
390 E A -2.5546
391 N A -2.0387
392 K A -1.3427
393 T A 0.0000
394 F A -0.0924
395 A A 0.0682
396 N A 0.0000
397 T A 0.0000
398 L A 0.0000
399 L A 0.0173
400 Y A -0.5105
401 S A -1.3906
402 D A -2.8387
403 D A -2.5982
404 A A -1.4080
405 L A 0.0000
406 H A 0.0000
407 L A 0.0000
408 L A 0.0000
409 Q A 0.0000
410 A A 0.0000
411 K A -0.9343
412 G A 0.0000
413 D A -2.5653
414 H A -2.5329
415 E A -2.5850
416 S A -2.0409
417 T A 0.0000
418 A A -0.4391
419 V A 0.0000
420 S A 0.0000
421 L A 0.0000
422 A A 0.0000
423 R A -1.1264
424 L A 0.0000
425 T A -1.7193
426 E A -2.4883
427 E A -1.6579
428 L A -1.5589
429 N A -2.1537
430 T A -1.3354
431 I A 0.0000
432 N A -1.6901
433 S A -0.9655
434 V A 0.0000
435 L A 0.0000
436 S A -0.7656
437 T A -0.5215
438 W A 0.0000
439 V A 0.0883
440 Q A -0.7280
441 L A -0.4309
442 D A -0.4797
443 A A -0.7879
444 S A -1.0026
445 F A 0.0000
446 S A -1.3607
447 E A -2.0573
448 S A -1.2289
449 S A -0.9358
450 I A 0.0000
451 P A -0.3443
452 T A -0.1591
453 A A -0.1520
454 G A -0.3194
455 L A 0.0000
456 V A 0.0000
457 G A 0.0000
458 F A 0.0000
459 L A 0.0000
460 S A -1.2545
461 N A -1.9531
462 T A -1.6639
463 T A -0.9701
464 S A -0.8093
465 S A -1.2887
466 G A -1.7015
467 D A -2.3825
468 T A -1.3971
469 W A 0.0000
470 I A -0.9889
471 D A 0.0000
472 G A -0.9235
473 Y A 0.0000
474 R A -1.9127
475 C A -1.0553
476 M A 0.0000
477 N A -1.1562
478 A A 0.0000
479 T A -0.7679
480 V A 0.0000
481 T A -1.4752
482 K A -2.3719
483 A A -1.6795
484 A A -1.2984
485 K A -2.4915
486 V A -1.6442
487 E A -2.6421
488 N A -2.2762
489 G A 0.0000
490 F A 0.0000
491 K A -1.2076
492 F A 0.0000
493 T A -0.8222
494 G A -0.7555
495 P A -1.2471
496 G A -1.5555
497 S A 0.0000
498 R A -1.2153
499 A A 0.0000
500 T A -0.3009
501 W A 0.0000
502 P A -0.4217
503 V A 0.0000
504 N A 0.0000
505 S A -0.7734
506 R A -0.8272
507 W A 0.2460
508 D A -0.3281
509 I A -0.3988
510 K A -0.6389
511 Q A -0.4428
512 Y A 0.0000
513 G A -0.0292
514 F A 0.0000
515 V A 0.0000
516 D A 0.0000
517 Y A -0.7622
518 N A -1.1964
519 F A 0.0000
520 T A 0.0000
521 I A 0.0000
522 V A 0.0000
523 A A 0.0000
524 M A 0.0000
525 A A 0.0000
526 T A -1.5403
527 I A 0.0000
528 H A -1.5328
529 Q A -1.0039
530 V A 0.3794
531 P A -0.3725
532 S A -0.8964
533 E A -1.8235
534 S A -0.9147
535 T A 0.0000
536 P A 0.0000
537 L A 0.0000
538 L A 0.0000
539 G A 0.0000
540 A A 0.0000
541 S A 0.0000
542 L A -1.6903
543 R A -2.6878
544 G A -2.7509
545 N A -3.0328
546 K A -3.7555
547 R A -3.6902
548 T A -2.5545
549 K A -1.8252
550 L A 0.0000
551 I A 0.0000
552 G A 0.0000
553 L A 0.0000
554 S A 0.0000
555 Y A 0.0000
556 G A 0.0000
557 A A -0.5802
558 G A -0.4868
559 G A -0.7553
560 K A -0.9434
561 W A 0.0000
562 E A 0.0000
563 T A 0.0000
564 V A 0.0000
565 Y A -0.8674
566 D A -2.0976
567 G A -1.9198
568 T A -1.3342
569 K A -0.8810
570 T A 0.2287
571 V A 1.0416
572 Q A -0.2407
573 G A -0.7180
574 G A -0.5172
575 T A -1.1566
576 W A 0.0000
577 E A -2.5359
578 P A -1.8594
579 G A -2.1076
580 R A -2.4905
581 E A -2.3723
582 Y A 0.0000
583 Q A 0.0000
584 V A 0.0000
585 A A 0.0000
586 L A 0.0000
587 M A 0.0000
588 L A 0.0000
589 Q A -1.6434
590 D A -2.3340
591 G A 0.0000
592 N A -0.8876
593 K A -0.9787
594 G A 0.0000
595 F A -0.0381
596 V A 0.0000
597 Y A 1.0941
598 V A 0.0000
599 D A 0.2701
600 G A 0.0000
601 V A 2.1050
602 L A 1.2264
603 V A 0.0000
604 G A -0.4406
605 N A -1.2388
606 P A -0.4695
607 A A -0.2336
608 M A 0.3894
609 L A 0.0000
610 P A -1.0637
611 T A -1.4302
612 P A 0.0000
613 E A -2.4027
614 E A -2.4597
615 R A -1.0857
616 W A -0.3306
617 T A -0.7772
618 E A -0.7109
619 F A 0.0000
620 S A 0.0000
621 H A -0.5043
622 F A 0.0000
623 Y A 0.0000
624 F A 0.0000
625 G A 0.0000
626 G A 0.0000
627 D A -1.5208
628 E A -2.7890
629 G A -1.7283
630 D A -1.6561
631 S A -1.2398
632 G A -0.9486
633 S A 0.0000
634 D A -0.6416
635 A A 0.0000
636 T A -0.9063
637 L A 0.0000
638 T A -0.8848
639 D A 0.0000
640 V A 0.0000
641 F A 0.0000
642 L A 0.0000
643 Y A 0.0000
644 N A -0.6736
645 R A -1.0172
646 P A -0.6181
647 L A 0.0000
648 S A 0.2019
649 V A 1.3673
650 G A -0.0802
651 E A -0.4217
652 L A 0.0000
653 K A -0.8123
654 M A -0.8563
655 I A 0.0000
656 K A -1.9124
657 E A -2.5863
658 V A -1.2869
659 E A -1.8159
660 D A -2.7109
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Laboratory of Theory of Biopolymers 2018