Project name: MRC1

Status: done

Started: 2026-04-11 12:20:54
Settings
Chain sequence(s) A: MRLPLLLVFASVIPGAVLLLDTRQFLIYNEDHKRCVDAVSPSAVQTAACNQDAESQKFRWVSESQIMSVAFKLCLGVPSKTDWVAITLYACDSKSEFQKWECKNDTLLGIKGEDLFFNYGNRQEKNIMLYKGSGLWSRWKIYGTTDNLCSRGYEAMYTLLGNANGATCAFPFKFENKWYADCTSAGRSDGWLWCGTTTDYDTDKLFGYCPLKFEGSESLWNKDPLTSVSYQINSKSALTWHQARKSCQQQNAELLSITEIHEQTYLTGLTSSLTSGLWIGLNSLSFNSGWQWSDRSPFRYLNWLPGSPSAEPGKSCVSLNPGKNAKWENLECVQKLGYICKKGNTTLNSFVIPSESDVPTHCPSQWWPYAGHCYKIHRDEKKIQRDALTTCRKEGGDLTSIHTIEELDFIISQLGYEPNDELWIGLNDIKIQMYFEWSDGTPVTFTKWLRGEPSHENNRQEDCVVMKGKDGYWADRGCEWPLGYICKMKSRSQGPEIVEVEKGCRKGWKKHHFYCYMIGHTLSTFAEANQTCNNENAYLTTIEDRYEQAFLTSFVGLRPEKYFWTGLSDIQTKGTFQWTIEEEVRFTHWNSDMPGRKPGCVAMRTGIAGGLWDVLKCDEKAKFVCKHWAEGVTHPPKPTTTPEPKCPEDWGASSRTSLCFKLYAKGKHEKKTWFESRDFCRALGGDLASINNKEEQQTIWRLITASGSYHKLFWLGLTYGSPSEGFTWSDGSPVSYENWAYGEPNNYQNVEYCGELKGDPTMSWNDINCEHLNNWICQIQKGQTPKPEPTPAPQDNPPVTEDGWVIYKDYQYYFSKEKETMDNARAFCKRNFGDLVSIQSESEKKFLWKYVNRNDAQSAYFIGLLISLDKKFAWMDGSKVDYVSWATGEPNFANEDENCVTMYSNSGFWNDINCGYPNAFICQRHNSSINATTVMPTMPSVPSGCKEGWNFYSNKCFKIFGFMEEERKNWQEARKACIGFGGNLVSIQNEKEQAFLTYHMKDSTFSAWTGLNDVNSEHTFLWTDGRGVHYTNWGKGYPGGRRSSLSYEDADCVVIIGGASNEAGKWMDDTCDSKRGYICQTRSDPSLTNPPATIQTDGFVKYGKSSYSLMRQKFQWHEAETYCKLHNSLIASILDPYSNAFAWLQMETSNERVWIALNSNLTDNQYTWTDKWRVRYTNWAADEPKLKSACVYLDLDGYWKTAHCNESFYFLCKRSDEIPATEPPQLPGRCPESDHTAWIPFHGHCYYIESSYTRNWGQASLECLRMGSSLVSIESAAESSFLSYRVEPLKSKTNFWIGLFRNVEGTWLWINNSPVSFVNWNTGDPSGERNDCVALHASSGFWSNIHCSSYKGYICKRPKIIDAKPTHELLTTKADTRKMDPSKPSSNVAGVVIIVILLILTGAGLAAYFFYKKRRVHLPQEGAFENTLYFNSQSSPGTSDMKDLVGNIEQNEHSVI
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]                                                (00:00:00)
[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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:21:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:22:02)
Show buried residues

Minimal score value
-3.8507
Maximal score value
5.8017
Average score
-0.6407
Total score value
-932.8218

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 0.4857
2 R A -0.6158
3 L A 1.2140
4 P A 1.5484
5 L A 3.2454
6 L A 3.9265
7 L A 4.0693
8 V A 4.0438
9 F A 3.7441
10 A A 2.5796
11 S A 2.3006
12 V A 2.8640
13 I A 2.5806
14 P A 1.2496
15 G A 1.1030
16 A A 1.7396
17 V A 3.1277
18 L A 3.4629
19 L A 3.3523
20 L A 2.5814
21 D A 0.5211
22 T A -0.2953
23 R A -1.0346
24 Q A -0.7617
25 F A 0.0000
26 L A 0.0000
27 I A 0.0000
28 Y A 0.0000
29 N A 0.0000
30 E A -3.2171
31 D A -3.0729
32 H A -2.4702
33 K A -3.1629
34 R A -2.1855
35 C A 0.0000
36 V A 0.0000
37 D A -0.2674
38 A A 0.0000
39 V A 1.6315
40 S A 0.6993
41 P A 0.2922
42 S A 0.0080
43 A A 0.0081
44 V A 0.0000
45 Q A -0.5560
46 T A 0.0000
47 A A -0.4103
48 A A -0.9075
49 C A -1.3662
50 N A -2.5255
51 Q A -2.9209
52 D A -3.2432
53 A A -2.5740
54 E A -2.7217
55 S A -1.0466
56 Q A 0.0000
57 K A -1.6769
58 F A 0.0000
59 R A 0.0000
60 W A 0.0000
61 V A -0.4938
62 S A -1.1058
63 E A -2.1468
64 S A 0.0000
65 Q A 0.0000
66 I A 0.0000
67 M A 0.0000
68 S A 0.0000
69 V A -0.3746
70 A A -0.2334
71 F A 0.5532
72 K A 0.0744
73 L A 0.4536
74 C A 0.0000
75 L A 0.0000
76 G A 0.0000
77 V A 0.0000
78 P A -0.1674
79 S A -0.5400
80 K A -1.3588
81 T A -1.0461
82 D A -1.1712
83 W A -0.2608
84 V A 0.0592
85 A A -0.2895
86 I A 0.0000
87 T A -0.0434
88 L A 0.0000
89 Y A 0.4270
90 A A 0.1435
91 C A -0.3785
92 D A -1.5869
93 S A -1.9178
94 K A -2.5281
95 S A -1.9184
96 E A -2.5754
97 F A -1.0531
98 Q A 0.0000
99 K A -1.9590
100 W A 0.0000
101 E A -1.3254
102 C A 0.0000
103 K A -2.1203
104 N A -2.0982
105 D A -2.2682
106 T A -1.4273
107 L A 0.0000
108 L A 0.0000
109 G A 0.0000
110 I A 0.0000
111 K A -2.3725
112 G A -2.1566
113 E A -2.7843
114 D A -3.2642
115 L A 0.0000
116 F A 0.0000
117 F A 0.0000
118 N A 0.0000
119 Y A -0.6687
120 G A -1.5376
121 N A -1.8153
122 R A -3.0139
123 Q A -2.9950
124 E A -2.8795
125 K A -2.7605
126 N A -1.2754
127 I A 0.0000
128 M A 0.0000
129 L A 0.0000
130 Y A -0.9372
131 K A -2.4555
132 G A -1.0877
133 S A -0.9168
134 G A 0.1464
135 L A 0.3613
136 W A 0.1757
137 S A 0.0000
138 R A -1.3534
139 W A 0.0000
140 K A -1.1955
141 I A 0.0000
142 Y A -0.7159
143 G A -0.5005
144 T A -0.4204
145 T A -0.7953
146 D A -1.1437
147 N A -1.4306
148 L A 0.0000
149 C A -0.8868
150 S A -1.1683
151 R A -1.2330
152 G A -1.4745
153 Y A -1.4093
154 E A -2.2781
155 A A -1.1880
156 M A 0.0000
157 Y A 0.0000
158 T A 0.0000
159 L A 0.0000
160 L A -0.1023
161 G A -0.4252
162 N A -1.2913
163 A A 0.0000
164 N A -1.8763
165 G A 0.0000
166 A A -0.3010
167 T A -0.3246
168 C A 0.0000
169 A A -0.0216
170 F A 0.0000
171 P A 0.0000
172 F A 0.0000
173 K A -1.4049
174 F A -2.0380
175 E A -3.0209
176 N A -2.9043
177 K A -2.6844
178 W A -0.7802
179 Y A -0.1981
180 A A 0.0000
181 D A -0.1944
182 C A 0.1310
183 T A -0.0519
184 S A -0.4756
185 A A -0.9063
186 G A -1.2113
187 R A -1.3205
188 S A -1.2085
189 D A -1.8398
190 G A -1.3592
191 W A -0.9508
192 L A -0.2538
193 W A 0.0000
194 C A 0.0000
195 G A 0.0000
196 T A -0.3556
197 T A -0.4795
198 T A -0.3694
199 D A -1.4396
200 Y A -1.3998
201 D A -2.0802
202 T A -1.2546
203 D A -1.8418
204 K A -2.0723
205 L A -0.8941
206 F A -0.2329
207 G A 0.0000
208 Y A 0.4577
209 C A 0.0000
210 P A 0.0000
211 L A -0.7275
212 K A -2.3415
213 F A 0.0000
214 E A -2.8448
215 G A -2.3854
216 S A -1.9505
217 E A -2.8539
218 S A -1.6330
219 L A -0.6710
220 W A -1.2722
221 N A -1.7400
222 K A -2.2992
223 D A 0.0000
224 P A -0.1173
225 L A 1.1008
226 T A 0.1016
227 S A -0.7316
228 V A -0.9965
229 S A 0.0000
230 Y A 0.0000
231 Q A 0.0000
232 I A 0.2526
233 N A 0.0000
234 S A -0.7875
235 K A -1.9885
236 S A 0.0000
237 A A -1.3067
238 L A 0.0000
239 T A 0.0000
240 W A 0.0000
241 H A -0.5059
242 Q A -0.9144
243 A A 0.0000
244 R A -1.2510
245 K A -2.0337
246 S A 0.0000
247 C A 0.0000
248 Q A -2.1703
249 Q A -1.7574
250 Q A -1.6946
251 N A -2.2473
252 A A -1.8211
253 E A -1.5766
254 L A 0.0000
255 L A 0.0000
256 S A 0.0000
257 I A 0.0000
258 T A -0.2937
259 E A -0.6108
260 I A 0.2405
261 H A -0.1029
262 E A 0.0000
263 Q A 0.0000
264 T A -0.2200
265 Y A 0.1132
266 L A 0.0000
267 T A -0.5531
268 G A -0.4706
269 L A 0.1212
270 T A 0.0000
271 S A -0.6794
272 S A -0.2393
273 L A 0.0004
274 T A -0.6503
275 S A -0.6205
276 G A -0.5958
277 L A 0.0000
278 W A 0.0000
279 I A 0.0000
280 G A 0.0000
281 L A 0.0000
282 N A 0.0000
283 S A -0.3207
284 L A 0.3273
285 S A 0.0560
286 F A 0.6891
287 N A -0.6927
288 S A -0.9309
289 G A 0.0000
290 W A 0.0000
291 Q A -0.5029
292 W A 0.0000
293 S A 0.0000
294 D A -0.8775
295 R A -0.5861
296 S A -0.3171
297 P A 0.0000
298 F A 0.0000
299 R A 0.0000
300 Y A 0.2140
301 L A 0.0000
302 N A 0.0000
303 W A -0.1435
304 L A -0.6164
305 P A -0.4898
306 G A -0.5957
307 S A -0.4275
308 P A -0.6431
309 S A -0.9557
310 A A -1.1534
311 E A -2.1415
312 P A -1.4359
313 G A -1.1243
314 K A -1.0427
315 S A -0.5124
316 C A 0.0000
317 V A 0.0000
318 S A 0.0000
319 L A 0.0000
320 N A -1.1360
321 P A -1.2449
322 G A -1.4862
323 K A -2.0305
324 N A -2.1554
325 A A 0.0000
326 K A -1.3510
327 W A 0.0000
328 E A -0.5272
329 N A 0.0000
330 L A -0.4410
331 E A -0.7704
332 C A 0.0000
333 V A -0.2358
334 Q A -0.5988
335 K A -1.3492
336 L A -0.9192
337 G A 0.0000
338 Y A 0.0000
339 I A 0.0000
340 C A 0.0000
341 K A -1.2669
342 K A -1.9292
343 G A -1.7396
344 N A -1.6283
345 T A -0.9749
346 T A -0.5415
347 L A 0.4375
348 N A -0.5055
349 S A 0.1808
350 F A 0.9604
351 V A 1.0521
352 I A 0.5524
353 P A -0.4308
354 S A -0.9395
355 E A -2.2029
356 S A -1.6719
357 D A -2.2446
358 V A -1.4812
359 P A -1.3162
360 T A -1.8000
361 H A -2.0209
362 C A -1.2751
363 P A -0.8514
364 S A -0.8454
365 Q A -1.2057
366 W A 0.0000
367 W A -0.0379
368 P A -0.5054
369 Y A -0.2041
370 A A -0.7875
371 G A -1.6093
372 H A -1.1831
373 C A 0.0000
374 Y A 0.0000
375 K A -0.4321
376 I A -0.6437
377 H A -1.6692
378 R A -2.6235
379 D A -3.5037
380 E A -3.7805
381 K A -3.3498
382 K A -2.2048
383 I A -0.8332
384 Q A 0.0000
385 R A -2.0121
386 D A -2.6403
387 A A 0.0000
388 L A -1.6603
389 T A -2.1983
390 T A -2.1186
391 C A 0.0000
392 R A -3.3708
393 K A -3.1125
394 E A -2.3980
395 G A -2.3151
396 G A -2.0396
397 D A -1.6762
398 L A 0.0000
399 T A 0.0000
400 S A 0.0000
401 I A 0.0000
402 H A 0.3166
403 T A 0.0000
404 I A 0.5976
405 E A 0.0000
406 E A 0.0000
407 L A 0.0000
408 D A 0.0000
409 F A 0.0000
410 I A 0.0000
411 I A 0.0000
412 S A -0.4408
413 Q A -0.3716
414 L A 0.0000
415 G A -0.6933
416 Y A 0.0000
417 E A -2.4127
418 P A -2.4745
419 N A -2.5117
420 D A -2.1882
421 E A -1.6802
422 L A 0.0000
423 W A 0.0000
424 I A 0.0000
425 G A 0.0000
426 L A 0.0000
427 N A 0.0000
428 D A 0.0000
429 I A -0.1437
430 K A -0.8632
431 I A 0.6570
432 Q A -0.1173
433 M A 0.1456
434 Y A 0.0000
435 F A 0.0000
436 E A -0.9282
437 W A 0.0000
438 S A -0.6776
439 D A -1.3735
440 G A -1.0612
441 T A -0.5751
442 P A -0.1882
443 V A 0.0000
444 T A 0.1813
445 F A 0.3131
446 T A -0.1632
447 K A -0.5459
448 W A 0.0000
449 L A -1.1466
450 R A -2.0422
451 G A -1.5480
452 E A -1.3119
453 P A 0.0000
454 S A -1.4993
455 H A -2.5528
456 E A -3.5326
457 N A -3.4462
458 N A -3.7062
459 R A -3.8507
460 Q A -3.3397
461 E A -2.5409
462 D A -1.2718
463 C A 0.0000
464 V A 0.0000
465 V A 0.0000
466 M A 0.0000
467 K A -1.7998
468 G A -2.0957
469 K A -2.6209
470 D A -1.5475
471 G A 0.0000
472 Y A 0.0000
473 W A 0.0000
474 A A 0.0000
475 D A 0.0000
476 R A -1.3197
477 G A 0.0000
478 C A -0.9842
479 E A -1.7604
480 W A -0.0980
481 P A -0.9670
482 L A 0.0000
483 G A 0.0000
484 Y A 0.0000
485 I A 0.0000
486 C A 0.0000
487 K A 0.0000
488 M A -1.6675
489 K A -2.4237
490 S A -2.2087
491 R A -3.0509
492 S A -2.1276
493 Q A -2.3666
494 G A -1.6595
495 P A -0.8688
496 E A -0.9715
497 I A 1.2671
498 V A 1.0411
499 E A -0.9469
500 V A -0.9152
501 E A -2.0336
502 K A -2.8463
503 G A -2.1222
504 C A 0.0000
505 R A -2.3470
506 K A -2.3829
507 G A -1.4283
508 W A 0.0000
509 K A -1.5840
510 K A -1.3187
511 H A -0.8248
512 H A -0.7669
513 F A -0.2100
514 Y A -0.1782
515 C A 0.0000
516 Y A 0.0000
517 M A -0.6188
518 I A 0.0000
519 G A 0.0000
520 H A -0.8258
521 T A -0.4148
522 L A -0.0911
523 S A 0.0000
524 T A -1.9556
525 F A -1.3139
526 A A -1.0669
527 E A -1.9034
528 A A 0.0000
529 N A -1.4937
530 Q A -2.5436
531 T A -2.0055
532 C A 0.0000
533 N A -2.7823
534 N A -2.7935
535 E A -2.3664
536 N A -2.3861
537 A A 0.0000
538 Y A -0.7010
539 L A 0.0000
540 T A 0.0000
541 T A 0.0000
542 I A 0.0000
543 E A -2.0317
544 D A -1.4876
545 R A -1.0289
546 Y A -0.5777
547 E A 0.0000
548 Q A 0.0000
549 A A 0.0000
550 F A 0.0000
551 L A 0.0000
552 T A 0.0000
553 S A 0.0000
554 F A 0.1261
555 V A 0.0000
556 G A -0.0832
557 L A -0.4236
558 R A -1.3310
559 P A -1.0936
560 E A -1.4552
561 K A -2.1425
562 Y A -1.3017
563 F A 0.0000
564 W A 0.0000
565 T A 0.0000
566 G A 0.0000
567 L A 0.0000
568 S A 0.0000
569 D A 0.0000
570 I A 0.6046
571 Q A -0.7177
572 T A -0.8479
573 K A -1.8380
574 G A 0.0000
575 T A -0.9701
576 F A 0.0000
577 Q A -1.4250
578 W A 0.0000
579 T A -0.5300
580 I A -0.7152
581 E A -2.7790
582 E A -3.6889
583 E A -3.6690
584 V A 0.0000
585 R A -2.9774
586 F A -1.5076
587 T A -0.6728
588 H A -0.3570
589 W A 0.0000
590 N A 0.0000
591 S A -1.2559
592 D A -2.1522
593 M A -1.4095
594 P A 0.0000
595 G A -1.9342
596 R A -2.9657
597 K A -2.7111
598 P A -1.4743
599 G A 0.0000
600 C A 0.0000
601 V A 0.0000
602 A A 0.0000
603 M A 0.0000
604 R A -0.6028
605 T A -0.5499
606 G A 0.2823
607 I A 1.7926
608 A A 0.0000
609 G A 0.0000
610 G A 0.0000
611 L A 0.0000
612 W A 0.0000
613 D A 0.0000
614 V A 0.0000
615 L A 0.0000
616 K A -2.1216
617 C A -1.6608
618 D A -3.0602
619 E A -2.7864
620 K A -2.4434
621 A A 0.0000
622 K A -0.6624
623 F A 0.0000
624 V A 0.0000
625 C A 0.0000
626 K A 0.0000
627 H A 0.0000
628 W A -0.2799
629 A A 0.0000
630 E A -2.1636
631 G A -1.3706
632 V A -0.4946
633 T A -0.6437
634 H A -1.2605
635 P A -1.1546
636 P A -1.5271
637 K A -2.1872
638 P A -1.2409
639 T A -0.7735
640 T A -0.8707
641 T A -0.7930
642 P A -1.4622
643 E A -2.8094
644 P A -2.4234
645 K A -2.8732
646 C A -2.1557
647 P A -1.9795
648 E A -2.9200
649 D A -2.6574
650 W A 0.0000
651 G A -1.1099
652 A A -1.1355
653 S A 0.0000
654 S A -1.6961
655 R A -2.2956
656 T A 0.0000
657 S A -1.4060
658 L A -0.8898
659 C A 0.0000
660 F A 0.0000
661 K A -0.6499
662 L A -0.2105
663 Y A 0.0000
664 A A -0.9478
665 K A -2.0831
666 G A -2.2663
667 K A -3.0202
668 H A -2.9776
669 E A -2.9321
670 K A -2.4413
671 K A -1.5200
672 T A 0.0000
673 W A 0.0000
674 F A -0.0416
675 E A -1.5703
676 S A 0.0000
677 R A -1.6372
678 D A -2.5546
679 F A -1.8375
680 C A 0.0000
681 R A -2.8396
682 A A -2.0948
683 L A 0.0000
684 G A -1.7259
685 G A -1.6466
686 D A 0.0000
687 L A 0.0000
688 A A 0.0000
689 S A 0.0000
690 I A 0.0000
691 N A -1.1469
692 N A -1.8181
693 K A -2.6624
694 E A -2.4899
695 E A 0.0000
696 Q A 0.0000
697 Q A -1.9745
698 T A 0.0000
699 I A 0.0000
700 W A -0.9295
701 R A -1.6897
702 L A -0.9171
703 I A 0.0000
704 T A -0.4995
705 A A -0.4432
706 S A -0.3904
707 G A -0.6124
708 S A 0.0000
709 Y A -0.0611
710 H A -1.1156
711 K A -1.0846
712 L A -0.4012
713 F A 0.0000
714 W A 0.0000
715 L A 0.0000
716 G A 0.0000
717 L A 0.0000
718 T A 0.0000
719 Y A 0.1793
720 G A 0.0000
721 S A 0.0000
722 P A 0.0000
723 S A -0.8560
724 E A -1.2095
725 G A 0.0000
726 F A -0.2139
727 T A -0.2560
728 W A 0.0000
729 S A -0.4536
730 D A -1.2982
731 G A -1.0543
732 S A -0.8853
733 P A -0.8272
734 V A 0.0000
735 S A 0.0000
736 Y A 0.0000
737 E A -1.0825
738 N A -0.6118
739 W A -0.2566
740 A A 0.2095
741 Y A 0.3658
742 G A -0.4946
743 E A -0.5357
744 P A -0.8537
745 N A -0.8384
746 N A -0.3439
747 Y A 0.5739
748 Q A 0.1268
749 N A 0.0000
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Laboratory of Theory of Biopolymers 2018