Project name: Os06t0286351-01 [mutate: YN1241A]

Status: done

Started: 2026-06-18 02:59:15
Settings
Chain sequence(s) A: MGAAEEQLKELGEKLEAAPPDPADDLAKLLEQAAECLHGVEQSPGPSVMETIQPCLKAVARDEFLKHHDEDVKVLLATCFCEITRITAPEAPYSDDVLRDMFHLIVDTFSGLNDVNGKSFGRRVAILETVARYRACVVMLDLECNDLIADMFRSFLEIISDNHEPNIVNSMQSVMALIIDESEDIEESLLNVLLSTLGRKKTGVSLPARKLARHVIEHSAGKLEPYIRKILTSSLDGDGTSTNNSIDHHEVIFDLYQCAPKVLKVVVPYITGELLADEVETRSKAVEILGELFSLPGIPILESFKSLFDEFLKRLTDRAVEIRVSVIEHLKKCLMSNHSRPEAQEIIKALCDRLLDYEENVRKQVVAAICDVACHSLGAVPVETIKQVAERVRDKSVSVKCYTMERLADIYKFYCQSGSDSSVNSDDFEWIPGKILRCLYDKDFRPESIESILCGSLFPPEYPTKERVKHWVTAVTHFDKVEMKALEQIFLQKQRLQQEMLKYMSLRQTSQEDTPDMKKKILGCFRSMSRLFNDHTKSEEYLNMLHQIKDANIWNIFTSLLDCSTTFNEAWSLRVDLLTKLGEKHALHDFVSTLSMRCSYLLVNKEYVKEILSEASDQKSTGNTKLMSSCMDLLTAVSSFFPSLLSGLEEDIIELLKEDNELLKEGIAHVLSKAGGNIREQLASSSSITLLLERLCLEGTRKQAKYSVHALAAITKDDGLMSLSVLYKRLVDLLEEKKVHLPSILQSLGCIAQIAMPIFETRGEEIINFITKKILDCNDDSGDVSAHKSEWSDSTQSCLLKIYGIKTLVKSCQPCKDAQAHPGIEKLMGILKNILTYGDISANMISSTIDKAHLRLAAAKAVLRLSRQWDHKVPVDVFYLTLRISQDDVPQVRKLFLSKVHQYIKERALDAKYACAFLLAMDDYHAPQYEEFKHNIIEVAQICQQVKMRQLSVQAETNVLTAYPEYMISYLVHALSHDPSCPNIEEHEDVEAFGPIYWRLHLLLLILLGEEGLQHSVPGMKKESFTTIVSIFKSIKYSQDVVDVNKTKTLHAICDLGILIGKKLCQEQINISEAQTVSLPSQLYAPVQKDQNENSVESDEQIWPGCENVLAHFEALMTAKSAEVESPKDKMLIDETDEFGNEVPLGKIVKILKSQGAKKAGRKQKTKSGSINMEKDDDVLGLVREINLDNQENLGESEKSKPKKKRMDAKESNDKPVDFSTPKRKRSVSKSRPHSTKGNKYSDELLLQSVDPDETINSFENKVEGAKKRDDSVDTELVTSPASVKTPVSKGKKGAKKPHAEILSSSPKKSDEAGSSKRTVDSGSLNGSIKRQKPKLVSGLAKCTTHDTGSEDLIGKRIKVWWPLDKKFYEGVVESFDSSKRRHTVLYDDGDVEVLNLAKEKWEIVASDDPPVKARKKDHSGRNQGRAQDKSITSSKQTPPPEQEKSKKRPSPPKRKGKPKGLPKNKRRKIGGKSSVDAAGDANIDSDSSSSLAHSDSDNDKKSDGRNEKEVVVAKKAKAEKVSGKGDEPKEEEPDDHNLNSKEESDNETLSVWKKRTAKAT
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues YN1241A
Energy difference between WT (input) and mutated protein (by FoldX) -1.68665 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                                        (00:00:01)
[INFO]       FoldX:    Building mutant model                                                       (00:30:38)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:30:59)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:43:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:44:30)
Show buried residues

Minimal score value
-4.4223
Maximal score value
3.1336
Average score
-1.1142
Total score value
-1739.213

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 0.5185
2 G A -0.2642
3 A A -0.6329
4 A A -1.5338
5 E A -1.6731
6 E A -2.6654
7 Q A -2.6535
8 L A 0.0000
9 K A -3.2125
10 E A -3.8125
11 L A 0.0000
12 G A 0.0000
13 E A -3.9332
14 K A -2.8572
15 L A 0.0000
16 E A -3.2843
17 A A -1.6549
18 A A -1.6636
19 P A -1.6069
20 P A -2.1075
21 D A -2.8507
22 P A -2.4391
23 A A -3.0161
24 D A -3.5564
25 D A -3.7044
26 L A 0.0000
27 A A -2.9990
28 K A -3.2455
29 L A -1.9795
30 L A 0.0000
31 E A -2.6797
32 Q A -2.2670
33 A A 0.0000
34 A A 0.0000
35 E A -2.7600
36 C A 0.0000
37 L A 0.0000
38 H A -2.1237
39 G A -1.9032
40 V A 0.0000
41 E A -2.6054
42 Q A -2.0130
43 S A -1.4645
44 P A 0.0000
45 G A -1.0618
46 P A -0.9199
47 S A -0.8724
48 V A -1.0629
49 M A -1.0681
50 E A -2.1530
51 T A -1.7927
52 I A 0.0000
53 Q A -1.8747
54 P A -2.4842
55 C A 0.0000
56 L A 0.0000
57 K A -2.4359
58 A A 0.0000
59 V A 0.0000
60 A A -1.3812
61 R A -2.1656
62 D A -2.6442
63 E A -2.5768
64 F A 0.0000
65 L A -2.0092
66 K A -2.9406
67 H A -2.6356
68 H A -2.3692
69 D A -2.9601
70 E A -3.0026
71 D A -2.6221
72 V A 0.0000
73 K A -2.0516
74 V A 0.0000
75 L A 0.0000
76 L A 0.0000
77 A A 0.0000
78 T A -0.7245
79 C A 0.0000
80 F A 0.0000
81 C A 0.0000
82 E A 0.0000
83 I A 0.0000
84 T A -0.4002
85 R A -1.3401
86 I A 0.0000
87 T A 0.0000
88 A A -1.0238
89 P A -1.2227
90 E A -1.9504
91 A A -1.0624
92 P A -0.9002
93 Y A -1.0673
94 S A -1.5162
95 D A -3.0495
96 D A -2.9829
97 V A -1.9020
98 L A 0.0000
99 R A -2.5539
100 D A -2.4039
101 M A 0.0000
102 F A 0.0000
103 H A -1.7038
104 L A 0.0000
105 I A 0.0000
106 V A 0.0000
107 D A -2.4881
108 T A 0.0000
109 F A 0.0000
110 S A -1.7731
111 G A -1.4082
112 L A 0.0000
113 N A -2.5530
114 D A -2.7539
115 V A -1.9415
116 N A -2.2134
117 G A -2.2147
118 K A -2.3970
119 S A -1.8099
120 F A -1.4827
121 G A -1.0947
122 R A -1.2020
123 R A 0.0000
124 V A -0.2933
125 A A -0.3459
126 I A 0.0000
127 L A 0.0000
128 E A -1.2193
129 T A -0.9054
130 V A 0.0000
131 A A -1.5508
132 R A -2.2009
133 Y A -1.1878
134 R A -1.9189
135 A A -0.7461
136 C A 0.0000
137 V A -0.5252
138 V A -0.6347
139 M A 0.0000
140 L A -1.4496
141 D A -2.0634
142 L A -2.1637
143 E A -2.5568
144 C A 0.0000
145 N A -2.0966
146 D A -2.7961
147 L A 0.0000
148 I A 0.0000
149 A A -1.9832
150 D A -2.9522
151 M A 0.0000
152 F A 0.0000
153 R A -2.0855
154 S A -2.0349
155 F A 0.0000
156 L A 0.0000
157 E A -2.3081
158 I A 0.0000
159 I A 0.0000
160 S A -1.7264
161 D A -2.4196
162 N A -2.7476
163 H A 0.0000
164 E A -2.2819
165 P A -1.8281
166 N A -1.6883
167 I A 0.0000
168 V A -1.1920
169 N A -1.8419
170 S A -1.2411
171 M A 0.0000
172 Q A -0.9777
173 S A -1.1690
174 V A 0.0000
175 M A 0.0000
176 A A 0.0000
177 L A -0.9942
178 I A 0.0000
179 I A 0.0000
180 D A -2.1014
181 E A -2.7427
182 S A -2.7773
183 E A -3.3946
184 D A -3.3855
185 I A 0.0000
186 E A -2.7534
187 E A -2.2866
188 S A -1.5909
189 L A 0.0000
190 L A 0.0000
191 N A -0.8748
192 V A 0.0000
193 L A 0.0000
194 L A 0.0000
195 S A -0.2102
196 T A 0.0000
197 L A 0.0000
198 G A 0.0000
199 R A -1.5368
200 K A -2.4055
201 K A -1.6767
202 T A -0.9718
203 G A -0.7022
204 V A -0.3366
205 S A -0.0874
206 L A 0.8530
207 P A -0.4548
208 A A 0.0000
209 R A -0.2694
210 K A -0.7743
211 L A 0.0000
212 A A 0.0000
213 R A -1.5392
214 H A -1.9696
215 V A 0.0000
216 I A 0.0000
217 E A -2.5821
218 H A -2.2583
219 S A 0.0000
220 A A 0.0000
221 G A -1.8181
222 K A -2.0039
223 L A 0.0000
224 E A -2.1310
225 P A -1.3092
226 Y A -1.6820
227 I A 0.0000
228 R A -1.9455
229 K A -1.8955
230 I A 0.0000
231 L A 0.0000
232 T A -1.2760
233 S A -1.7935
234 S A -1.7065
235 L A -1.1576
236 D A -2.5265
237 G A -2.3309
238 D A -2.8382
239 G A -2.0043
240 T A -1.0697
241 S A -1.1487
242 T A -0.7679
243 N A -1.2189
244 N A -1.6624
245 S A -1.0357
246 I A -0.6952
247 D A -1.0866
248 H A -0.4048
249 H A 0.0000
250 E A -0.9290
251 V A 0.0000
252 I A 0.0000
253 F A 0.0000
254 D A 0.0000
255 L A 0.0000
256 Y A 0.0000
257 Q A -0.5761
258 C A -1.3301
259 A A 0.0000
260 P A -1.4764
261 K A -2.3040
262 V A 0.0000
263 L A 0.0000
264 K A -2.2596
265 V A -0.7164
266 V A 0.0000
267 V A -0.2434
268 P A -0.1765
269 Y A 0.1741
270 I A 0.0000
271 T A 0.1776
272 G A -0.1475
273 E A -0.6176
274 L A 0.0000
275 L A 0.7399
276 A A -0.9750
277 D A -2.4315
278 E A -2.7507
279 V A -2.0651
280 E A -2.6659
281 T A -1.8878
282 R A 0.0000
283 S A -2.2443
284 K A -2.3581
285 A A 0.0000
286 V A 0.0000
287 E A -2.4370
288 I A 0.0000
289 L A 0.0000
290 G A 0.0000
291 E A -1.1293
292 L A 0.0000
293 F A 0.0000
294 S A -0.6245
295 L A -0.3527
296 P A -0.5273
297 G A -0.4549
298 I A 0.1230
299 P A -0.2747
300 I A -0.3866
301 L A -1.2359
302 E A -2.2513
303 S A -1.7430
304 F A 0.0000
305 K A -2.0129
306 S A -1.6044
307 L A 0.0000
308 F A 0.0000
309 D A -2.7297
310 E A -1.6317
311 F A 0.0000
312 L A -1.6030
313 K A -2.2484
314 R A -1.3209
315 L A 0.0000
316 T A -1.2641
317 D A 0.0000
318 R A -1.9408
319 A A 0.0000
320 V A -1.1362
321 E A -1.7889
322 I A 0.0000
323 R A 0.0000
324 V A -0.8533
325 S A -1.2131
326 V A 0.0000
327 I A 0.0000
328 E A -1.5659
329 H A 0.0000
330 L A 0.0000
331 K A -1.4471
332 K A -1.7248
333 C A 0.0000
334 L A 0.0000
335 M A -0.9692
336 S A -0.9078
337 N A -1.3472
338 H A -1.5936
339 S A -1.0169
340 R A 0.0000
341 P A -0.9317
342 E A 0.0000
343 A A 0.0000
344 Q A -2.4952
345 E A -2.7381
346 I A 0.0000
347 I A 0.0000
348 K A -2.9519
349 A A -2.2108
350 L A 0.0000
351 C A -1.4513
352 D A -1.9635
353 R A -0.7403
354 L A 0.0000
355 L A 1.1611
356 D A 0.0000
357 Y A 1.1401
358 E A -0.2323
359 E A -1.2731
360 N A -1.4356
361 V A 0.0000
362 R A 0.0000
363 K A -1.0191
364 Q A -1.0240
365 V A 0.0000
366 V A 0.0000
367 A A -0.4861
368 A A 0.0000
369 I A 0.0000
370 C A 0.0000
371 D A -0.8366
372 V A 0.0000
373 A A 0.0000
374 C A -0.7517
375 H A -1.0363
376 S A -0.7018
377 L A 0.0000
378 G A -0.7725
379 A A 0.0000
380 V A 0.0000
381 P A -0.9369
382 V A -1.0446
383 E A -2.2721
384 T A 0.0000
385 I A 0.0000
386 K A -2.1177
387 Q A -1.7016
388 V A 0.0000
389 A A 0.0000
390 E A -1.5083
391 R A 0.0000
392 V A 0.0000
393 R A -2.5004
394 D A 0.0000
395 K A -2.1701
396 S A -0.9811
397 V A 0.0342
398 S A 0.0216
399 V A 0.0000
400 K A 0.0000
401 C A -0.2134
402 Y A -0.1089
403 T A 0.0000
404 M A 0.0000
405 E A -1.7336
406 R A -1.3838
407 L A 0.0000
408 A A 0.0000
409 D A -1.8950
410 I A 0.0000
411 Y A 0.0000
412 K A -1.1546
413 F A -0.7110
414 Y A 0.0000
415 C A 0.0000
416 Q A -1.4240
417 S A -1.1798
418 G A -1.5490
419 S A -1.6626
420 D A -2.0751
421 S A -1.4033
422 S A -0.9898
423 V A -1.1144
424 N A -1.8367
425 S A -1.5900
426 D A -1.9403
427 D A -1.4166
428 F A 0.0000
429 E A 0.0000
430 W A -0.4476
431 I A 0.0000
432 P A 0.0000
433 G A 0.0000
434 K A -0.5732
435 I A 0.0000
436 L A 0.0000
437 R A -0.5114
438 C A 0.0000
439 L A -0.8118
440 Y A -0.5145
441 D A -1.9972
442 K A -2.7522
443 D A -3.0482
444 F A 0.0000
445 R A -1.8775
446 P A -0.7311
447 E A -0.7348
448 S A -0.5633
449 I A 0.0000
450 E A 0.0000
451 S A -0.2300
452 I A 0.0000
453 L A 0.0000
454 C A 0.0000
455 G A -0.1927
456 S A -0.9143
457 L A 0.0000
458 F A 0.0000
459 P A 0.0000
460 P A -1.2233
461 E A -2.0766
462 Y A 0.0000
463 P A -1.2467
464 T A -1.8936
465 K A -2.6008
466 E A -2.2119
467 R A 0.0000
468 V A 0.0000
469 K A -1.8377
470 H A -1.2471
471 W A 0.0000
472 V A 0.0000
473 T A -0.7499
474 A A 0.0000
475 V A 0.0000
476 T A -0.6919
477 H A -0.7510
478 F A -0.7441
479 D A -1.3154
480 K A -1.9367
481 V A -1.0879
482 E A 0.0000
483 M A -1.5204
484 K A -1.9986
485 A A 0.0000
486 L A 0.0000
487 E A -1.2337
488 Q A -0.8205
489 I A 0.0000
490 F A 0.0000
491 L A 0.3968
492 Q A -0.4968
493 K A 0.0000
494 Q A -0.8332
495 R A -1.2124
496 L A 0.0000
497 Q A 0.0000
498 Q A -1.7435
499 E A -1.3699
500 M A 0.0000
501 L A -0.4207
502 K A -1.0696
503 Y A 0.0000
504 M A -0.6308
505 S A -0.8134
506 L A -1.0681
507 R A -1.2927
508 Q A -1.6929
509 T A -1.3951
510 S A -2.2584
511 Q A -2.8181
512 E A -3.3183
513 D A -3.3901
514 T A -2.6117
515 P A -2.5931
516 D A -3.2838
517 M A -2.9090
518 K A -2.8685
519 K A -3.3836
520 K A -3.0455
521 I A 0.0000
522 L A -1.6171
523 G A -1.7371
524 C A 0.0000
525 F A 0.0000
526 R A -2.2921
527 S A -1.4532
528 M A 0.0000
529 S A 0.0000
530 R A -2.8541
531 L A -1.7979
532 F A 0.0000
533 N A -2.9160
534 D A -3.0407
535 H A -3.2846
536 T A -2.5307
537 K A -2.7222
538 S A 0.0000
539 E A -2.4808
540 E A -2.7279
541 Y A -1.3382
542 L A 0.0000
543 N A -1.2284
544 M A -0.7027
545 L A 0.0000
546 H A -1.1695
547 Q A -1.5827
548 I A -1.1967
549 K A -2.2351
550 D A -1.8183
551 A A -1.5051
552 N A -2.3819
553 I A 0.0000
554 W A 0.0000
555 N A -1.7806
556 I A 0.0000
557 F A 0.0000
558 T A -0.7942
559 S A -0.9262
560 L A 0.0000
561 L A 0.0000
562 D A -0.9946
563 C A -0.5939
564 S A -0.7234
565 T A -1.0940
566 T A -1.2783
567 F A 0.0000
568 N A -2.2722
569 E A -1.8432
570 A A 0.0000
571 W A -0.7017
572 S A -0.5148
573 L A -0.3703
574 R A -0.0320
575 V A 0.8898
576 D A -0.6839
577 L A 0.0000
578 L A -0.7988
579 T A -1.0188
580 K A -2.0611
581 L A -1.4157
582 G A -2.1817
583 E A -3.3049
584 K A -3.0090
585 H A -2.0595
586 A A -1.1223
587 L A 0.0000
588 H A -2.1922
589 D A -2.3962
590 F A 0.0000
591 V A 0.0000
592 S A -0.7165
593 T A -0.6140
594 L A 0.0000
595 S A 0.0000
596 M A 0.0000
597 R A 0.0000
598 C A 0.0000
599 S A 0.0000
600 Y A -0.1473
601 L A 0.0000
602 L A 0.0000
603 V A 0.0000
604 N A 0.0000
605 K A -1.4248
606 E A -1.8560
607 Y A 0.0000
608 V A 0.0000
609 K A -2.2851
610 E A -2.0212
611 I A 0.0000
612 L A 0.0000
613 S A -1.5626
614 E A 0.0000
615 A A 0.0000
616 S A -1.9116
617 D A -2.4289
618 Q A -1.9222
619 K A -2.0515
620 S A -1.5338
621 T A -1.2613
622 G A -1.4908
623 N A -1.4533
624 T A -0.9532
625 K A -0.9808
626 L A -0.8475
627 M A 0.0000
628 S A -0.6582
629 S A 0.0000
630 C A 0.0000
631 M A 0.0000
632 D A -1.1496
633 L A 0.0000
634 L A 0.0000
635 T A -0.6904
636 A A 0.0000
637 V A 0.0000
638 S A 0.0000
639 S A -0.3387
640 F A -0.1457
641 F A 0.0000
642 P A -0.6015
643 S A -0.6461
644 L A 0.0000
645 L A 0.0000
646 S A -1.0559
647 G A -1.3488
648 L A 0.0000
649 E A 0.0000
650 E A -2.9948
651 D A -2.8328
652 I A 0.0000
653 I A -2.1504
654 E A -3.3008
655 L A 0.0000
656 L A 0.0000
657 K A -2.9925
658 E A -3.1354
659 D A -3.0407
660 N A -2.5868
661 E A -2.4553
662 L A -1.0486
663 L A 0.0000
664 K A -1.8120
665 E A -1.2934
666 G A -0.8425
667 I A 0.0000
668 A A 0.0000
669 H A -1.0248
670 V A 0.0000
671 L A 0.0000
672 S A -0.8537
673 K A -1.4260
674 A A 0.0000
675 G A 0.0000
676 G A -1.9332
677 N A -1.9175
678 I A 0.0000
679 R A -2.4484
680 E A -3.0704
681 Q A -2.7265
682 L A 0.0000
683 A A -1.4240
684 S A -1.0300
685 S A -0.5007
686 S A 0.0159
687 S A 0.0814
688 I A 0.0000
689 T A 0.3204
690 L A 0.9257
691 L A -0.1577
692 L A 0.0000
693 E A -0.8392
694 R A -1.9936
695 L A 0.0000
696 C A 0.0000
697 L A -1.7331
698 E A -2.4707
699 G A -2.2475
700 T A -1.7160
701 R A -1.8196
702 K A -2.2918
703 Q A 0.0000
704 A A 0.0000
705 K A -1.5350
706 Y A -1.0851
707 S A 0.0000
708 V A 0.0000
709 H A -0.7481
710 A A 0.0000
711 L A 0.0000
712 A A 0.0000
713 A A -1.5573
714 I A 0.0000
715 T A -1.7107
716 K A -2.7999
717 D A -2.9346
718 D A -2.8078
719 G A 0.0000
720 L A -0.2075
721 M A 0.6127
722 S A 0.3799
723 L A 0.0000
724 S A 0.4389
725 V A 0.9493
726 L A 0.0000
727 Y A 0.0000
728 K A -2.4373
729 R A -2.6373
730 L A 0.0000
731 V A 0.0000
732 D A -2.9589
733 L A -2.5551
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1527 D A -3.4465
1528 E A -3.2441
1529 P A -2.5544
1530 K A -3.3666
1531 E A -4.0419
1532 E A -4.0741
1533 E A -3.5050
1534 P A -2.6937
1535 D A -3.4716
1536 D A -3.5771
1537 H A -2.6006
1538 N A -1.6481
1539 L A 0.0027
1540 N A -1.1122
1541 S A -2.0118
1542 K A -3.5958
1543 E A -3.8425
1544 E A -3.7799
1545 S A -2.7783
1546 D A -3.2529
1547 N A -2.9402
1548 E A -2.4174
1549 T A -0.5167
1550 L A 1.2034
1551 S A 1.6179
1552 V A 2.2438
1553 W A 0.7286
1554 K A -1.8861
1555 K A -3.3096
1556 R A -3.2017
1557 T A -1.6712
1558 A A -1.1929
1559 K A -1.6732
1560 A A -0.9360
1561 T A -0.4786
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Laboratory of Theory of Biopolymers 2018