Project name: AAAC [mutate: GA55S, VA82A, GA112A]

Status: done

submitted: 2021-09-08 07:47:09, status changed: 2021-09-08 08:08:30
Settings
Chain sequence(s) A: MAQGTLIRVTPEQPTHAVCVLGTLTQLDICSSAPEDCTSFSINASPGVVVDIAHGPPAKKKSTGSSTWPLDPGVEVTLTMKVASGSTGDQKVQISYYGPKTPPVKALLYLTGVEISLCADITRTGKVKPTRAVKDQRTWTWGPSGQGAILLVNCDRDNLESSAMDCEDDEVLDSEDLQDMSLMTLSTKTPKDFFTNHTLVLHVARSEMDKVRVFQATRGKLSSKCSVVLGPKWPSHYLMVPGGKHNMDFYVEALAFPDTDFPGLITLTISLLDTSNLELPEAVVFQDSVVFRVAPWIMTPNTQPPQEVYACSIFENEDFLKSVTTLAMKAKCKLTICPEEENMDDQWMQDEMEIGYIQAPHKTLPVVFDSPRNRGLKEFPIKRVMGPDFGYVTRGPQTGGISGLDSFGNLEVSPPVTVRGKEYPLGRILFGDSCYPSNDSRQMHQALQDFLSAQQVQAPVKLYSDWLSVGHVDEFLSFVPAPDRKGFRLLLASPRSCYKLFQEQQNEGHGEALLFEGIKKKKQQKIKNILSNKTLREHNSFVERCIDWNRELLKRELGLAESDIIDIPQLFKLKEFSKAEAFFPNMVNMLVLGKHLGIPKPFGPVINGRCCLEEKVCSLLEPLGLQCTFINDFFTYHIRHGEVHCGTNVRRKPFSFKWWNMVP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues GA55S, VA82A, GA112A
Energy difference between WT (input) and mutated protein (by FoldX) -1.73961 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
-3.7472
Maximal score value
1.4177
Average score
-0.7299
Total score value
-483.9546

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 -0.7410
22 G A -0.6869
23 T A -0.0311
24 L A 0.4433
25 T A 0.0000
26 Q A -0.7584
27 L A 0.0000
28 D A -1.0353
29 I A 0.0000
30 C A -0.6089
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 -1.5041
38 T A -0.8327
39 S A -0.4420
40 F A 0.0000
41 S A 0.0000
42 I A 0.0000
43 N A -1.6210
44 A A -0.8823
45 S A -0.7236
46 P A -0.6883
47 G A -0.7450
48 V A 0.0000
49 V A 0.1008
50 V A -0.2442
51 D A -1.4556
52 I A -0.8961
53 A A -1.1434
54 H A -1.5080
55 S A -0.9967 mutated: GA55S
56 P A -0.8520
57 P A -1.4115
58 A A -1.3723
59 K A -3.0167
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 -1.9463
67 T A 0.0000
68 W A -0.6073
69 P A -0.6163
70 L A -0.4987
71 D A -1.7938
72 P A -1.3822
73 G A -1.4689
74 V A -1.3491
75 E A -1.9386
76 V A 0.0000
77 T A -0.5441
78 L A 0.0000
79 T A -0.2395
80 M A 0.0000
81 K A -1.5986
82 A A -1.0593 mutated: VA82A
83 A A -1.0945
84 S A 0.0000
85 G A -1.2395
86 S A -1.2058
87 T A -0.9642
88 G A -0.6665
89 D A -0.8851
90 Q A -0.9007
91 K A -1.4004
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 -0.4568
98 G A -1.3742
99 P A -1.3443
100 K A -2.1376
101 T A -1.3530
102 P A -0.9214
103 P A -0.5158
104 V A -0.6110
105 K A -1.8053
106 A A 0.0000
107 L A -0.9948
108 L A 0.0000
109 Y A -0.4597
110 L A 0.0000
111 T A 0.0000
112 A A 0.0000 mutated: GA112A
113 V A 0.0000
114 E A -1.4202
115 I A 0.0000
116 S A -0.9436
117 L A 0.0000
118 C A 0.0000
119 A A 0.0000
120 D A -1.1695
121 I A 0.0000
122 T A -0.9737
123 R A -0.9127
124 T A -1.1962
125 G A -1.6561
126 K A -2.2973
127 V A 0.0000
128 K A -1.8262
129 P A -1.4015
130 T A -1.3987
131 R A -1.7769
132 A A -0.7361
133 V A 0.2814
134 K A -1.6837
135 D A -2.2058
136 Q A 0.0000
137 R A -1.6678
138 T A -1.0266
139 W A -0.3269
140 T A 0.1293
141 W A 0.5467
142 G A 0.0000
143 P A -0.3848
144 S A -0.4615
145 G A -0.1961
146 Q A -0.9728
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 -0.6162
157 D A -1.0103
158 N A -0.3563
159 L A 0.4411
160 E A -1.2823
161 S A -0.7584
162 S A -0.6311
163 A A -0.7781
164 M A -0.7555
165 D A -1.2990
166 C A 0.0000
167 E A -2.6172
168 D A -2.5242
169 D A -2.1353
170 E A -2.0847
171 V A -0.7799
172 L A 0.2967
173 D A -0.7865
174 S A -1.4621
175 E A -2.4327
176 D A 0.0000
177 L A -0.7674
178 Q A -1.8712
179 D A 0.0000
180 M A 0.0000
181 S A 0.0000
182 L A 0.1647
183 M A 0.0000
184 T A -0.4339
185 L A 0.0000
186 S A -1.3343
187 T A 0.0000
188 K A -2.4289
189 T A 0.0000
190 P A 0.0000
191 K A -3.0075
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 0.1603
199 L A 0.0000
200 V A 0.5851
201 L A 0.0000
202 H A -0.3117
203 V A 0.0000
204 A A -1.2573
205 R A -2.4901
206 S A -1.6031
207 E A -1.4879
208 M A -1.8626
209 D A -2.5015
210 K A -1.2690
211 V A 0.0000
212 R A 0.0000
213 V A 0.0000
214 F A 0.0000
215 Q A -0.6931
216 A A 0.0000
217 T A -1.9402
218 R A -2.6956
219 G A -2.0265
220 K A -1.7806
221 L A 0.0232
222 S A -0.9962
223 S A -1.9487
224 K A -2.1730
225 C A -1.2221
226 S A -0.9191
227 V A -0.2642
228 V A 0.0000
229 L A 0.0000
230 G A 0.0000
231 P A -1.8220
232 K A -1.9696
233 W A -0.7634
234 P A -1.0757
235 S A -0.3925
236 H A 0.2896
237 Y A 0.9796
238 L A 0.0000
239 M A 1.2175
240 V A 0.0000
241 P A -1.1599
242 G A -1.9571
243 G A -2.3469
244 K A -2.8688
245 H A -1.9383
246 N A -1.9221
247 M A 0.0000
248 D A -0.5974
249 F A 0.0000
250 Y A 0.3146
251 V A 0.0000
252 E A 0.0000
253 A A 0.0000
254 L A -0.6093
255 A A -0.3438
256 F A 0.0000
257 P A 0.0000
258 D A -1.1519
259 T A -1.2598
260 D A -2.0169
261 F A 0.0000
262 P A -0.7142
263 G A 0.0000
264 L A 0.2693
265 I A 0.0000
266 T A -0.1538
267 L A 0.0000
268 T A -0.3555
269 I A 0.0000
270 S A 0.0000
271 L A 0.0000
272 L A 0.0000
273 D A -0.6444
274 T A -0.7152
275 S A -0.8342
276 N A -0.5419
277 L A 0.4667
278 E A -0.7552
279 L A 0.4229
280 P A -0.2429
281 E A -0.8657
282 A A 0.2356
283 V A 1.4177
284 V A 0.7639
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 -0.0230
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 -0.4578
303 Q A -0.7916
304 P A -0.9944
305 P A -1.3583
306 Q A -1.7583
307 E A -1.5342
308 V A 0.0000
309 Y A 0.0000
310 A A 0.0000
311 C A 0.0000
312 S A -0.8017
313 I A -0.4942
314 F A 0.4104
315 E A -1.4376
316 N A 0.0000
317 E A -3.0239
318 D A -3.1637
319 F A 0.0000
320 L A -1.6520
321 K A -2.6371
322 S A -1.4031
323 V A 0.0000
324 T A -0.7841
325 T A -0.7208
326 L A 0.0000
327 A A 0.0000
328 M A -0.6242
329 K A -1.4893
330 A A -1.6265
331 K A -2.2198
332 C A 0.0000
333 K A -2.0156
334 L A -0.5475
335 T A -0.1613
336 I A 0.6345
337 C A 0.0000
338 P A -1.3165
339 E A -2.0657
340 E A -2.6704
341 E A -2.3848
342 N A 0.0000
343 M A -1.2060
344 D A -1.8656
345 D A 0.0000
346 Q A 0.0000
347 W A -0.3142
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 -0.9497
361 H A -1.2216
362 K A -0.9092
363 T A -0.5165
364 L A 0.0000
365 P A -0.4928
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 -1.1902
373 N A -1.8313
374 R A -2.4112
375 G A -1.8192
376 L A 0.0000
377 K A -1.9561
378 E A -2.1305
379 F A 0.0000
380 P A 0.0000
381 I A -1.1762
382 K A -2.5927
383 R A -2.6497
384 V A 0.0000
385 M A 0.0000
386 G A -0.8198
387 P A -0.9516
388 D A -1.5217
389 F A 0.0000
390 G A 0.0000
391 Y A 0.2276
392 V A 0.0000
393 T A -0.2950
394 R A -0.7920
395 G A -0.8923
396 P A -0.8528
397 Q A -1.2481
398 T A -0.8227
399 G A -0.8654
400 G A -0.7307
401 I A -0.4114
402 S A -0.3483
403 G A -0.2269
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 -0.6297
416 V A 0.0000
417 T A -2.1348
418 V A 0.0000
419 R A -3.1454
420 G A -2.6546
421 K A -3.1935
422 E A -2.8562
423 Y A 0.0000
424 P A -0.6613
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 0.0987
434 C A 1.1564
435 Y A 1.4091
436 P A -0.2468
437 S A -1.0697
438 N A -2.2970
439 D A -2.3383
440 S A -1.3358
441 R A -1.1315
442 Q A -0.9802
443 M A 0.0000
444 H A -1.2077
445 Q A -1.6112
446 A A -1.0058
447 L A 0.0000
448 Q A 0.0000
449 D A -1.1638
450 F A 0.0000
451 L A 0.0000
452 S A -0.6205
453 A A 0.0000
454 Q A 0.0000
455 Q A -0.8386
456 V A 0.0000
457 Q A 0.0000
458 A A -0.3836
459 P A -0.5506
460 V A 0.0000
461 K A -1.1328
462 L A 0.0000
463 Y A 0.3262
464 S A 0.0000
465 D A 0.0000
466 W A 0.0000
467 L A 0.0000
468 S A -0.4851
469 V A 0.0156
470 G A 0.0000
471 H A 0.0000
472 V A 0.0000
473 D A 0.0000
474 E A -0.2485
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 -0.6416
481 A A 0.0000
482 P A -1.3809
483 D A -2.3581
484 R A -2.9704
485 K A -2.3457
486 G A -1.7587
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 -2.5263
496 S A -1.7007
497 C A 0.0000
498 Y A 0.0000
499 K A -2.8958
500 L A -2.0304
501 F A 0.0000
502 Q A -3.0456
503 E A -3.7472
504 Q A -3.2093
505 Q A -3.6615
506 N A -3.4541
507 E A -3.5165
508 G A -2.7068
509 H A -2.5249
510 G A 0.0000
511 E A -2.6652
512 A A -1.2462
513 L A -1.2431
514 L A 0.0000
515 F A 0.0000
516 E A -1.8784
517 G A -1.6207
518 I A 0.0000
519 K A -3.3638
520 K A -3.3711
521 K A -3.3105
522 K A -3.1930
523 Q A -2.6111
524 Q A -2.2005
525 K A -2.3720
526 I A 0.0000
527 K A -2.6357
528 N A -2.6668
529 I A 0.0000
530 L A 0.0000
531 S A -1.7776
532 N A -2.4237
533 K A -2.9325
534 T A -2.0462
535 L A 0.0000
536 R A -2.4992
537 E A -2.6625
538 H A -1.6662
539 N A 0.0000
540 S A -1.4751
541 F A -0.8098
542 V A 0.0000
543 E A -1.9469
544 R A -2.2512
545 C A 0.0000
546 I A 0.0000
547 D A -2.6986
548 W A -1.2759
549 N A 0.0000
550 R A -2.3918
551 E A -3.0821
552 L A 0.0000
553 L A 0.0000
554 K A -2.5052
555 R A -3.0184
556 E A -1.9414
557 L A 0.0000
558 G A -1.8591
559 L A 0.0000
560 A A -1.3747
561 E A -1.9727
562 S A -1.1214
563 D A 0.0000
564 I A 0.0000
565 I A -0.2916
566 D A -0.9228
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 -1.3277
573 L A -1.2665
574 K A -2.0787
575 E A -1.6925
576 F A 0.3342
577 S A -0.5605
578 K A -0.7458
579 A A 0.0000
580 E A -1.1761
581 A A -0.2277
582 F A -0.0510
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 -0.6755
594 K A -1.4253
595 H A -1.0925
596 L A 0.0000
597 G A 0.0000
598 I A 0.0000
599 P A 0.0000
600 K A -0.4421
601 P A 0.0000
602 F A -0.2845
603 G A 0.0000
604 P A 0.0000
605 V A -0.0404
606 I A -0.9688
607 N A -1.6982
608 G A -1.5714
609 R A -2.3290
610 C A 0.0000
611 C A 0.0000
612 L A 0.0000
613 E A 0.0000
614 E A -2.2545
615 K A -1.0485
616 V A 0.0000
617 C A -1.2912
618 S A -1.0462
619 L A -0.4551
620 L A 0.0000
621 E A -2.0343
622 P A -1.1072
623 L A -1.0181
624 G A -1.2573
625 L A 0.0000
626 Q A -1.5363
627 C A -0.9023
628 T A -0.1877
629 F A -0.0478
630 I A 0.0000
631 N A -0.6612
632 D A 0.0000
633 F A 0.0000
634 F A 1.0726
635 T A 0.1237
636 Y A 0.0000
637 H A 0.2879
638 I A 1.2648
639 R A -0.3507
640 H A -0.8936
641 G A 0.0000
642 E A 0.0000
643 V A 0.0000
644 H A 0.0000
645 C A 0.0000
646 G A 0.0000
647 T A 0.0000
648 N A 0.0000
649 V A -0.4873
650 R A -1.0740
651 R A 0.0000
652 K A -1.9115
653 P A -0.9629
654 F A 0.0000
655 S A -0.3051
656 F A 0.1418
657 K A -0.6246
658 W A 0.0000
659 W A 0.0000
660 N A -0.2266
661 M A 0.0000
662 V A 1.0293
663 P A -0.0892

 

Laboratory of Theory of Biopolymers 2015