Project name: AAAC [mutate: YA435A]

Status: done

submitted: 2021-09-08 12:16:17, status changed: 2021-09-08 12:38:01
Settings
Chain sequence(s) A: MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKKKSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCADITRTGKVKPTRAVKDQRTWTWGPCGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDMSLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMVPGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTPNTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAPHKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRGKEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVPAPDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNSFVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPKPFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWNMVP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues YA435A
Energy difference between WT (input) and mutated protein (by FoldX) 0.345783 kcal/mol

Changes in protein stability upon mutation are calculated using the FoldX forcefield. Computational prediction of protein stability is used with the intention of preventing the experimental characterization of proteins bearing mutations that significantly destabilize their structure. Mutations resulting in a predicted reduction in protein stability ≥ 1 kcal/mol are considered disruptive.

Show buried residues

Minimal score value
-3.7735
Maximal score value
1.4162
Average score
-0.7293
Total score value
-483.4952

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 0.6804
2 A A -0.0221
3 Q A -0.3667
4 G A -0.1349
5 T A -0.0242
6 L A 0.1317
7 I A 0.0000
8 R A -1.8189
9 V A 0.0000
10 T A -1.6672
11 P A -1.6825
12 E A -2.6096
13 Q A -2.4097
14 P A -1.4008
15 T A -1.2180
16 H A -1.0338
17 A A -0.4280
18 V A 0.0662
19 C A 0.0000
20 V A 0.0000
21 L A -0.3930
22 G A -0.5106
23 T A -0.0309
24 L A 0.4436
25 T A 0.0000
26 Q A -0.7566
27 L A 0.0000
28 D A -1.0343
29 I A 0.0000
30 C A -0.6311
31 S A -0.5833
32 S A -1.0084
33 A A -1.0231
34 P A -1.7373
35 E A -2.7107
36 D A -2.9557
37 C A -1.5046
38 T A -0.8495
39 S A -0.4601
40 F A 0.0000
41 S A 0.0000
42 I A 0.0000
43 N A -1.6187
44 A A -0.8839
45 S A -0.7166
46 P A -0.6873
47 G A -0.3134
48 V A 0.0000
49 V A 0.0312
50 V A -0.2659
51 D A -1.4677
52 I A -0.9016
53 A A -1.1587
54 H A -1.5477
55 G A -1.0750
56 P A -0.8814
57 P A -1.4277
58 A A -1.3820
59 K A -3.0169
60 K A -3.5111
61 K A -3.2474
62 S A -1.7676
63 T A -1.2341
64 G A -1.4555
65 S A -1.5046
66 S A -1.9462
67 T A 0.0000
68 W A -0.6370
69 P A -0.6630
70 L A -0.5586
71 D A -1.9123
72 P A -1.4388
73 G A -1.5140
74 V A -1.3946
75 E A -1.9586
76 V A 0.0000
77 T A -0.5525
78 L A 0.0000
79 T A -0.0607
80 M A 0.0000
81 K A -0.7802
82 V A 0.6530
83 A A -0.2693
84 S A 0.0000
85 G A -1.0268
86 S A -1.2021
87 T A -0.9595
88 G A -0.6563
89 D A -0.8675
90 Q A -0.8605
91 K A -1.3804
92 V A 0.0000
93 Q A -1.3090
94 I A 0.0000
95 S A 0.0000
96 Y A 0.0000
97 Y A -0.4574
98 G A -1.3744
99 P A -1.3443
100 K A -2.1378
101 T A -1.3533
102 P A -0.9218
103 P A -0.5166
104 V A -0.6114
105 K A -1.8055
106 A A 0.0000
107 L A -0.9948
108 L A 0.0000
109 Y A -0.4497
110 L A 0.0000
111 T A 0.0000
112 G A 0.0000
113 V A 0.0000
114 E A -1.1762
115 I A 0.0000
116 S A -0.9505
117 L A 0.0000
118 C A 0.0000
119 A A 0.0000
120 D A -1.1693
121 I A 0.0000
122 T A -0.8608
123 R A -0.9117
124 T A -1.1966
125 G A -1.6571
126 K A -2.2982
127 V A 0.0000
128 K A -1.8262
129 P A -1.4014
130 T A -1.3987
131 R A -1.7769
132 A A -0.7361
133 V A 0.2814
134 K A -1.6826
135 D A -2.2048
136 Q A 0.0000
137 R A -1.6670
138 T A -1.0245
139 W A -0.3232
140 T A 0.2850
141 W A 0.7299
142 G A 0.0000
143 P A 0.0727
144 C A 0.4847
145 G A 0.2638
146 Q A -0.7574
147 G A 0.0000
148 A A 0.0000
149 I A 0.0000
150 L A 0.0000
151 L A 0.0000
152 V A 0.0000
153 N A 0.0000
154 C A 0.0000
155 D A 0.0000
156 R A -0.5731
157 D A -0.9532
158 N A 0.0000
159 L A 0.5097
160 E A -1.2359
161 S A -0.7144
162 S A -0.6192
163 A A -0.7589
164 M A -0.7335
165 D A -1.2745
166 C A 0.0000
167 E A -2.6150
168 D A -2.5188
169 D A -2.1369
170 E A -2.0963
171 V A -0.7935
172 L A 0.2891
173 D A -0.8164
174 S A -1.4803
175 E A -2.4682
176 D A 0.0000
177 L A -0.7904
178 Q A -1.9194
179 D A 0.0000
180 M A 0.0000
181 S A 0.0000
182 L A 0.1614
183 M A 0.0000
184 T A -0.4305
185 L A 0.0000
186 S A -1.3445
187 T A 0.0000
188 K A -2.2792
189 T A 0.0000
190 P A 0.0000
191 K A -3.0135
192 D A -2.6267
193 F A 0.0000
194 F A -0.7807
195 T A -1.1495
196 N A -1.1520
197 H A 0.0000
198 T A 0.1594
199 L A 0.0000
200 V A 0.5848
201 L A 0.0000
202 H A -0.3040
203 V A 0.0000
204 A A -1.2508
205 R A -2.4717
206 S A -1.5889
207 E A -1.4580
208 M A -1.8182
209 D A -2.4633
210 K A -1.2120
211 V A 0.0000
212 R A 0.0000
213 V A 0.0000
214 F A 0.0000
215 Q A -0.6901
216 A A 0.0000
217 T A -1.9398
218 R A -2.6951
219 G A -2.0270
220 K A -1.7806
221 L A 0.0232
222 S A -0.9966
223 S A -1.9497
224 K A -2.1764
225 C A -1.2272
226 S A -0.9191
227 V A -0.2545
228 V A 0.0000
229 L A 0.0000
230 G A 0.0000
231 P A -1.7944
232 K A -1.9465
233 W A -0.7160
234 P A -1.0497
235 S A -0.3774
236 H A 0.2986
237 Y A 0.9795
238 L A 0.0000
239 M A 1.2175
240 V A 0.0000
241 P A -1.1657
242 G A -1.9672
243 G A -2.3643
244 K A -2.8913
245 H A -1.9522
246 N A -1.9271
247 M A 0.0000
248 D A -0.5890
249 F A 0.0000
250 Y A 0.3131
251 V A 0.0000
252 E A 0.0000
253 A A 0.0000
254 L A -0.5869
255 A A -0.3283
256 F A 0.0000
257 P A 0.0000
258 D A -1.1637
259 T A -1.2650
260 D A -2.0205
261 F A 0.0000
262 P A -0.7149
263 G A 0.0000
264 L A 0.2830
265 I A 0.0000
266 T A -0.1496
267 L A 0.0000
268 T A -0.3557
269 I A 0.0000
270 S A 0.0000
271 L A 0.0000
272 L A 0.0000
273 D A -0.6464
274 T A -0.7174
275 S A -0.8352
276 N A -0.5430
277 L A 0.4658
278 E A -0.7560
279 L A 0.4212
280 P A -0.2462
281 E A -0.8724
282 A A 0.2323
283 V A 1.4162
284 V A 0.7631
285 F A 0.0000
286 Q A -0.3305
287 D A -0.8747
288 S A 0.0000
289 V A 0.0000
290 V A 0.0000
291 F A 0.0000
292 R A -0.0201
293 V A 0.0000
294 A A 0.0000
295 P A 0.0000
296 W A 0.0000
297 I A 0.0000
298 M A 0.0000
299 T A 0.0000
300 P A 0.0000
301 N A 0.0000
302 T A -0.4725
303 Q A -0.7967
304 P A -1.0095
305 P A -1.3588
306 Q A -1.7482
307 E A -1.5440
308 V A 0.0000
309 Y A 0.0000
310 A A 0.0000
311 C A 0.0000
312 S A -0.8514
313 I A 0.0000
314 F A 0.3439
315 E A -1.5813
316 N A 0.0000
317 E A -3.2174
318 D A -3.5070
319 F A 0.0000
320 L A -1.7782
321 K A -2.7463
322 S A -1.4851
323 V A 0.0000
324 T A -0.8101
325 T A -0.6780
326 L A 0.0000
327 A A 0.0000
328 M A -0.6248
329 K A -1.4245
330 A A -1.6138
331 K A -2.2019
332 C A 0.0000
333 K A -2.0303
334 L A -0.5605
335 T A -0.1639
336 I A 0.6544
337 C A 0.0000
338 P A -1.2817
339 E A -1.9493
340 E A -2.6299
341 E A -2.4537
342 N A 0.0000
343 M A -1.2124
344 D A -1.8729
345 D A 0.0000
346 Q A 0.0000
347 W A -0.3296
348 M A 0.0000
349 Q A 0.0000
350 D A 0.0000
351 E A 0.0000
352 M A 0.0000
353 E A 0.0000
354 I A 0.0000
355 G A 0.0000
356 Y A 0.0000
357 I A 0.0000
358 Q A 0.0000
359 A A 0.0000
360 P A -0.9513
361 H A -1.2247
362 K A -0.9490
363 T A -0.5535
364 L A 0.0000
365 P A -0.5160
366 V A 0.0000
367 V A 0.0000
368 F A 0.0000
369 D A 0.0000
370 S A 0.0000
371 P A 0.0000
372 R A -1.2195
373 N A -1.9321
374 R A -2.4938
375 G A -1.9025
376 L A 0.0000
377 K A -2.2522
378 E A -2.4886
379 F A 0.0000
380 P A 0.0000
381 I A -1.3254
382 K A -2.7193
383 R A -2.7152
384 V A 0.0000
385 M A 0.0000
386 G A -0.8103
387 P A -0.9999
388 D A -1.7496
389 F A -0.5622
390 G A 0.0000
391 Y A 0.2570
392 V A 0.0000
393 T A -0.3030
394 R A -0.8065
395 G A -0.9004
396 P A -0.8581
397 Q A -1.2707
398 T A -0.8249
399 G A -0.8664
400 G A -0.7312
401 I A -0.4091
402 S A -0.3420
403 G A -0.2238
404 L A 0.0000
405 D A 0.0000
406 S A 0.0000
407 F A 0.0000
408 G A 0.0000
409 N A 0.0000
410 L A 0.0000
411 E A 0.0000
412 V A 0.0000
413 S A 0.0000
414 P A 0.0000
415 P A -0.6293
416 V A 0.0000
417 T A -2.1352
418 V A 0.0000
419 R A -3.1455
420 G A -2.6548
421 K A -3.1889
422 E A -2.8510
423 Y A 0.0000
424 P A -0.6480
425 L A 0.0000
426 G A 0.0000
427 R A 0.0000
428 I A 0.0000
429 L A 0.0000
430 F A 0.0000
431 G A 0.0000
432 D A 0.0000
433 S A -0.3165
434 C A 0.5385
435 A A 0.1290 mutated: YA435A
436 P A -0.8991
437 S A -1.4872
438 N A -2.3474
439 D A -2.3720
440 S A -1.6067
441 R A -1.2841
442 Q A -1.1019
443 M A 0.0000
444 H A -1.2026
445 Q A -1.6079
446 A A -1.0101
447 L A 0.0000
448 Q A 0.0000
449 D A -1.1659
450 F A 0.0000
451 L A 0.0000
452 S A -0.6218
453 A A 0.0000
454 Q A 0.0000
455 Q A -0.8302
456 V A 0.0000
457 Q A 0.0000
458 A A -0.3770
459 P A -0.5504
460 V A 0.0000
461 K A -1.1301
462 L A 0.0000
463 Y A 0.1832
464 S A 0.0000
465 D A 0.0000
466 W A 0.0000
467 L A 0.0000
468 S A -0.4252
469 V A 0.0485
470 G A 0.0000
471 H A 0.0000
472 V A 0.0000
473 D A 0.0000
474 E A -0.2426
475 F A 0.0000
476 L A 0.0000
477 S A 0.0000
478 F A 0.0000
479 V A 0.0000
480 P A -0.6646
481 A A 0.0000
482 P A -1.3752
483 D A -2.3527
484 R A -2.9678
485 K A -2.3444
486 G A -1.7569
487 F A 0.0000
488 R A 0.0000
489 L A 0.0000
490 L A 0.0000
491 L A 0.0000
492 A A 0.0000
493 S A 0.0000
494 P A 0.0000
495 R A -2.5697
496 S A -1.7691
497 C A 0.0000
498 Y A -1.9484
499 K A -2.9497
500 L A 0.0000
501 F A 0.0000
502 Q A -3.0783
503 E A -3.7735
504 Q A -3.2023
505 Q A -3.5744
506 N A -3.4188
507 E A -3.4892
508 G A -2.6861
509 H A -2.5497
510 G A 0.0000
511 E A -2.6622
512 A A -1.2298
513 L A -1.1547
514 L A 0.0000
515 F A 0.0000
516 E A -1.7679
517 G A -1.5602
518 I A 0.0000
519 K A -3.2949
520 K A -3.2950
521 K A -3.1432
522 K A -2.9852
523 Q A -2.2383
524 Q A -2.0296
525 K A -2.3009
526 I A 0.0000
527 K A -2.6599
528 N A -2.7135
529 I A 0.0000
530 L A 0.0000
531 S A -1.9137
532 N A -2.6626
533 K A -3.1583
534 T A -2.2206
535 L A 0.0000
536 R A -2.9721
537 E A -2.8860
538 H A -1.7364
539 N A 0.0000
540 S A -1.5967
541 F A -0.8639
542 V A 0.0000
543 E A -1.9370
544 R A -2.2511
545 C A 0.0000
546 I A 0.0000
547 D A -2.7054
548 W A -1.2952
549 N A 0.0000
550 R A -2.3762
551 E A -3.0633
552 L A 0.0000
553 L A 0.0000
554 K A -2.4439
555 R A -2.9944
556 E A -1.9272
557 L A 0.0000
558 G A -1.8423
559 L A 0.0000
560 A A -1.3264
561 E A -1.8848
562 S A -1.0860
563 D A 0.0000
564 I A 0.0000
565 I A -0.2597
566 D A -0.8666
567 I A 0.0000
568 P A 0.0000
569 Q A 0.0000
570 L A 0.0000
571 F A 0.0000
572 K A -1.1440
573 L A -1.0597
574 K A -1.7713
575 E A -1.5608
576 F A 0.3944
577 S A -0.4522
578 K A -0.6363
579 A A 0.0000
580 E A -0.9632
581 A A -0.1054
582 F A 0.1110
583 F A 0.0000
584 P A 0.0000
585 N A 0.0000
586 M A 0.0000
587 V A 0.0000
588 N A 0.0000
589 M A 0.0000
590 L A 0.0000
591 V A 0.0000
592 L A 0.0000
593 G A -0.7447
594 K A -1.5455
595 H A -1.1655
596 L A 0.0000
597 G A 0.0000
598 I A 0.0000
599 P A 0.0000
600 K A -0.4686
601 P A 0.0000
602 F A -0.2772
603 G A 0.0000
604 P A 0.0000
605 V A -0.1097
606 I A -0.9821
607 N A -1.6827
608 G A -1.5281
609 R A -2.2081
610 C A 0.0000
611 C A 0.0000
612 L A 0.0000
613 E A 0.0000
614 E A -2.3857
615 K A -1.4171
616 V A 0.0000
617 C A -1.3992
618 S A -1.1670
619 L A -0.5643
620 L A 0.0000
621 E A -1.9876
622 P A -1.0810
623 L A -1.0127
624 G A -1.2517
625 L A 0.0000
626 Q A -1.6035
627 C A -0.9368
628 T A -0.2117
629 F A -0.0803
630 I A 0.0000
631 N A -0.8028
632 D A 0.0000
633 F A 0.0000
634 F A 0.7493
635 T A -0.1162
636 Y A 0.0000
637 H A 0.1627
638 I A 1.0576
639 R A -0.5662
640 H A -0.8973
641 G A 0.0000
642 E A 0.0000
643 V A 0.0000
644 H A -0.0793
645 C A 0.0000
646 G A 0.0000
647 T A 0.0000
648 N A 0.0000
649 V A -0.5093
650 R A -1.1291
651 R A 0.0000
652 K A -1.9180
653 P A -0.9680
654 F A 0.0000
655 S A -0.2872
656 F A 0.1794
657 K A -0.6055
658 W A 0.0000
659 W A 0.0000
660 N A -0.0491
661 M A 0.0000
662 V A 1.0488
663 P A -0.0512

 

Laboratory of Theory of Biopolymers 2015