Project name: w00t! [mutate: VA81A]

Status: done

submitted: 2018-06-07 08:31:58, status changed: 2018-06-07 08:58:06
Settings
Chain sequence(s) A: MEEKIDRKDFFSVELENGQVEPESSPIYRNPSYSKGELSNLQGLNANNLWELFVNSVNKYKNKKCLGTRKLNRDGTYGEYVFKSYEELKEEALNIGINILKMDLCPIRKYEDNEYQKEISMMGILSRNREEWYLTEHACNAFGICLAPLYDTLGEDNLKFILVQTQLKSLCISNDSLEKIISIIERSIIDSTRDSILIKNLICFDHPTTEINQRAKNLDINLILFKNLQEKVSKKDKEIYKPKKIKPDDMCSIHFTSGTTGYPKGAILTHRCFLACVKSSYEHLFSEKEIQLDNEDAHLSYLPMAHIFERLIVMNAYYLGIPIGIFSGSVTRLMSDSQELKPTILVCVPQVLTRIIQTVNDKISQSNFLVRTVFHKALKQKESIIKTKGDPTHWLWDRIIFSNTRQILGGKLKAIISGAAPLGLEVNHKIQAIFCCKLIEGFGMSECIGTLGTRYSYAHLGTVGGPFSDVEVKLTSVLEMGYDSTKEPRRGLLKIRGNSVCKGYFRDIINSKELIDSNGWLDTGDIAERQQDGSFKIIDRKKSLFKLSQGEYISPERIEGIYLSSSSLIQHVYVYGQSTDRFLVALIFPNEQALRKWSEDKGMNTLSLSLEELCESHELFDELNDSFHKAELSSNLFGFERIHKFKVIPEVLSTSNGLLTPTMKIVRNKVNSKYKEVLNTLRSQI
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA81A
Energy difference between WT (input) and mutated protein (by FoldX) 0.582237 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
-3.7738
Maximal score value
1.9387
Average score
-0.623
Total score value
-426.7614

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 0.0000
2 E A -2.9028
3 E A -2.4066
4 K A -2.8396
5 I A 0.0000
6 D A 0.0000
7 R A -2.7062
8 K A -2.1719
9 D A -1.2611
10 F A 1.1420
11 F A 1.2339
12 S A 0.6704
13 V A 0.4119
14 E A -1.4773
15 L A -1.2364
16 E A -2.7134
17 N A -2.7742
18 G A -2.3003
19 Q A -2.2906
20 V A -1.7874
21 E A -2.8316
22 P A -2.2059
23 E A -2.1947
24 S A -1.3155
25 S A -1.1324
26 P A 0.0000
27 I A 0.0000
28 Y A -0.5456
29 R A -1.4983
30 N A -1.4193
31 P A -0.5025
32 S A -0.6627
33 Y A -0.1769
34 S A 0.0000
35 K A -1.4681
36 G A -1.1297
37 E A -2.0702
38 L A -1.2255
39 S A 0.0000
40 N A -1.0893
41 L A -0.7464
42 Q A 0.0000
43 G A -0.5580
44 L A 0.0000
45 N A -0.2179
46 A A -0.5932
47 N A -0.8692
48 N A 0.0000
49 L A 0.0000
50 W A 0.0000
51 E A -0.5066
52 L A 0.0000
53 F A 0.0000
54 V A -0.4436
55 N A 0.0000
56 S A 0.0000
57 V A 0.0000
58 N A -2.2438
59 K A -2.6550
60 Y A -2.6195
61 K A -3.6121
62 N A -3.7738
63 K A -3.0034
64 K A -2.3876
65 C A 0.0000
66 L A 0.0000
67 G A 0.0000
68 T A 0.0000
69 R A 0.0000
70 K A -1.0618
71 L A 0.0000
72 N A -2.1015
73 R A -2.8188
74 D A -2.8051
75 G A -1.4829
76 T A -1.1417
77 Y A 0.3499
78 G A -0.4605
79 E A -1.4578
80 Y A 0.1704
81 A A 0.7129 mutated: VA81A
82 F A 1.1464
83 K A -0.4733
84 S A -2.0953
85 Y A 0.0000
86 E A -3.6506
87 E A -2.5945
88 L A 0.0000
89 K A -2.0321
90 E A -2.7027
91 E A -2.1031
92 A A 0.0000
93 L A 0.0000
94 N A 0.0000
95 I A 0.0000
96 G A 0.0000
97 I A -0.8877
98 N A 0.0000
99 I A 0.0000
100 L A -0.7952
101 K A -1.9583
102 M A -1.5616
103 D A -2.2616
104 L A 0.0000
105 C A -0.4948
106 P A 0.0000
107 I A 0.1837
108 R A -2.0458
109 K A -2.3840
110 Y A -1.2035
111 E A -2.8743
112 D A -3.7318
113 N A -3.0037
114 E A -2.6683
115 Y A -1.5310
116 Q A -1.4013
117 K A -1.2214
118 E A 0.0000
119 I A -0.0712
120 S A 0.0000
121 M A 0.0000
122 M A 0.0000
123 G A 0.0000
124 I A 0.0000
125 L A 0.0000
126 S A 0.0000
127 R A -1.3868
128 N A -0.8405
129 R A 0.0000
130 E A 0.0000
131 E A -0.4988
132 W A 0.0000
133 Y A 0.0000
134 L A 0.0000
135 T A 0.0000
136 E A 0.0000
137 H A 0.0000
138 A A 0.0000
139 C A 0.0000
140 N A 0.0000
141 A A 0.0000
142 F A 0.0000
143 G A 0.0000
144 I A 0.0000
145 C A 0.0000
146 L A 0.0000
147 A A 0.0000
148 P A 0.0000
149 L A 0.0000
150 Y A -0.0560
151 D A -0.3612
152 T A -0.6118
153 L A -0.5430
154 G A -1.2262
155 E A -2.0144
156 D A -1.7487
157 N A -0.9326
158 L A 0.0000
159 K A -0.5952
160 F A 1.1240
161 I A 0.0000
162 L A 0.0000
163 V A 0.1365
164 Q A -0.5799
165 T A 0.0000
166 Q A 0.0169
167 L A 0.0000
168 K A 0.0000
169 S A 0.0000
170 L A 0.0000
171 C A 0.0000
172 I A 0.0000
173 S A 0.0000
174 N A -1.8701
175 D A -2.6683
176 S A -1.7910
177 L A 0.0000
178 E A -1.6572
179 K A -1.9830
180 I A -1.1705
181 I A 0.0000
182 S A -0.6957
183 I A -0.3480
184 I A 0.0000
185 E A -1.2481
186 R A -1.8143
187 S A -1.1336
188 I A -0.1820
189 I A 0.0000
190 D A 0.0000
191 S A 0.0000
192 T A -1.5849
193 R A -2.5115
194 D A -2.4038
195 S A -0.2634
196 I A 0.9733
197 L A 0.9044
198 I A -0.1741
199 K A -1.2975
200 N A 0.0000
201 L A 0.0000
202 I A 0.0000
203 C A 0.0000
204 F A 0.0000
205 D A 0.0000
206 H A -1.4418
207 P A -0.8932
208 T A -0.4581
209 T A 0.0000
210 E A -1.0668
211 I A 0.3771
212 N A -1.5448
213 Q A -2.4450
214 R A -2.5877
215 A A -1.7887
216 K A -2.5697
217 N A 0.0000
218 L A -0.9032
219 D A -0.3608
220 I A 0.6891
221 N A -0.3938
222 L A 0.0000
223 I A 0.6261
224 L A 0.0000
225 F A 0.0000
226 K A -0.8838
227 N A -1.0942
228 L A -1.2423
229 Q A 0.0000
230 E A -3.0547
231 K A -2.9747
232 V A 0.0000
233 S A -2.7598
234 K A -3.3984
235 K A -2.7762
236 D A 0.0000
237 K A -2.6732
238 E A -2.1491
239 I A 0.2357
240 Y A 0.5552
241 K A -0.4810
242 P A 0.0000
243 K A -1.5488
244 K A -2.5148
245 I A 0.0000
246 K A -2.6242
247 P A -1.8869
248 D A -2.1708
249 D A -1.6345
250 M A -0.7678
251 C A 0.0000
252 S A 0.0000
253 I A 0.0000
254 H A 0.0000
255 F A 0.0000
256 T A -0.1520
257 S A -0.1942
258 G A -0.5456
259 T A -0.7724
260 T A -0.9590
261 G A -0.6508
262 Y A 0.2482
263 P A -0.2939
264 K A -0.7601
265 G A 0.0000
266 A A 0.0000
267 I A -0.4748
268 L A 0.0000
269 T A 0.0000
270 H A 0.0000
271 R A -0.9186
272 C A 0.0000
273 F A 0.0000
274 L A 0.0000
275 A A 0.0000
276 C A 0.0000
277 V A 0.0000
278 K A 0.0000
279 S A 0.0000
280 S A 0.0000
281 Y A 0.0000
282 E A -1.6884
283 H A 0.0000
284 L A -1.1162
285 F A 0.0000
286 S A -2.3681
287 E A -3.1087
288 K A -3.2574
289 E A -3.1839
290 I A -2.1356
291 Q A -1.9275
292 L A 0.0000
293 D A -1.4827
294 N A -1.8350
295 E A -2.2243
296 D A 0.0000
297 A A -0.8574
298 H A 0.0000
299 L A 0.0000
300 S A 0.0000
301 Y A 0.0000
302 L A 0.0000
303 P A -0.2804
304 M A 0.0000
305 A A 0.0000
306 H A 0.0000
307 I A 0.3133
308 F A 0.3752
309 E A 0.0000
310 R A 0.0000
311 L A 0.2546
312 I A 0.0000
313 V A 0.0000
314 M A 0.0000
315 N A 0.0000
316 A A 0.0000
317 Y A 0.0000
318 Y A 0.0000
319 L A 0.0000
320 G A 0.0000
321 I A 0.0000
322 P A 0.0000
323 I A 0.0000
324 G A 0.0000
325 I A 0.0000
326 F A 0.0000
327 S A -0.8604
328 G A -0.7269
329 S A -0.4887
330 V A 0.0000
331 T A -0.6404
332 R A -0.7707
333 L A 0.0000
334 M A 0.0000
335 S A 0.0000
336 D A 0.0000
337 S A 0.0000
338 Q A 0.0000
339 E A -0.9385
340 L A 0.0000
341 K A -1.2299
342 P A 0.0000
343 T A 0.0000
344 I A 0.0000
345 L A 0.0000
346 V A 0.0000
347 C A 0.0000
348 V A 0.0000
349 P A -0.1274
350 Q A -0.2880
351 V A 0.0000
352 L A 0.0000
353 T A -0.2686
354 R A -0.6028
355 I A 0.0000
356 I A 0.0000
357 Q A -0.3380
358 T A 0.0000
359 V A 0.0000
360 N A -0.9611
361 D A -1.7319
362 K A -2.0237
363 I A 0.0000
364 S A 0.0000
365 Q A -0.9129
366 S A -0.7803
367 N A 0.0000
368 F A 0.5797
369 L A 0.0000
370 V A 0.0000
371 R A -1.9537
372 T A -0.7284
373 V A -0.6948
374 F A 0.0000
375 H A 0.0000
376 K A -2.2738
377 A A 0.0000
378 L A 0.1056
379 K A -1.4003
380 Q A -1.6110
381 K A -1.0164
382 E A 0.0000
383 S A -0.4328
384 I A 0.8753
385 I A 0.3972
386 K A -0.9698
387 T A 0.0000
388 K A 0.0000
389 G A 0.0000
390 D A 0.0000
391 P A 0.0000
392 T A -0.1019
393 H A -0.2490
394 W A 1.1181
395 L A 0.6279
396 W A 0.1495
397 D A -0.9170
398 R A -1.7524
399 I A -0.2480
400 I A 0.0000
401 F A -1.3243
402 S A -1.6244
403 N A -1.3051
404 T A 0.0000
405 R A -1.7276
406 Q A -1.8414
407 I A -0.9135
408 L A 0.0000
409 G A -1.3526
410 G A -1.4347
411 K A -1.5959
412 L A 0.0000
413 K A -0.8407
414 A A 0.0000
415 I A 0.0000
416 I A 0.0000
417 S A 0.0000
418 G A 0.0000
419 A A 0.0597
420 A A -0.1427
421 P A -0.1591
422 L A 0.0000
423 G A 0.0258
424 L A 0.5113
425 E A -0.8917
426 V A -0.4077
427 N A 0.0000
428 H A -1.3177
429 K A -1.1654
430 I A 0.0000
431 Q A -1.1679
432 A A -0.7596
433 I A 0.0000
434 F A 0.0000
435 C A -0.7503
436 C A 0.0000
437 K A -0.9215
438 L A 0.0000
439 I A 0.0000
440 E A 0.0000
441 G A -0.0478
442 F A 0.1400
443 G A 0.0876
444 M A 0.1236
445 S A 0.0000
446 E A -0.3599
447 C A 0.0000
448 I A 0.0000
449 G A 0.0538
450 T A 0.0000
451 L A 0.0000
452 G A 0.0000
453 T A 0.0000
454 R A -1.1958
455 Y A -1.3159
456 S A -1.1804
457 Y A -0.2266
458 A A 0.1351
459 H A 0.0000
460 L A 0.1806
461 G A 0.2128
462 T A 0.0000
463 V A 0.0000
464 G A 0.0000
465 G A 0.0000
466 P A 0.0000
467 F A 0.0000
468 S A 0.0000
469 D A 0.0000
470 V A 0.0000
471 E A 0.0000
472 V A 0.0000
473 K A 0.0000
474 L A 0.0000
475 T A 0.0000
476 S A 0.0000
477 V A 0.0000
478 L A 0.6218
479 E A -0.9511
480 M A 0.0011
481 G A -0.0836
482 Y A 0.5337
483 D A 0.0000
484 S A -0.7330
485 T A -1.6540
486 K A -2.7301
487 E A -2.2398
488 P A 0.0000
489 R A -2.5904
490 R A -2.1577
491 G A 0.0000
492 L A 0.0000
493 L A 0.0000
494 K A 0.0000
495 I A 0.0000
496 R A 0.0000
497 G A -0.3510
498 N A -0.5559
499 S A 0.0000
500 V A -0.3228
501 C A 0.0000
502 K A -1.7573
503 G A -0.5730
504 Y A -0.2391
505 F A -0.6660
506 R A -1.1309
507 D A 0.1386
508 I A 1.5982
509 I A 1.4653
510 N A -0.1667
511 S A -0.5128
512 K A -1.4053
513 E A -1.8449
514 L A -0.7552
515 I A -1.1885
516 D A -1.4097
517 S A -1.6630
518 N A -1.6816
519 G A -1.2433
520 W A 0.0000
521 L A 0.0000
522 D A -0.4178
523 T A 0.0000
524 G A -0.7941
525 D A 0.0000
526 I A 0.0000
527 A A 0.0000
528 E A -1.7665
529 R A 0.0000
530 Q A -2.1634
531 Q A -2.6069
532 D A -2.5065
533 G A -1.3250
534 S A 0.0000
535 F A 0.0000
536 K A -0.7569
537 I A 0.0000
538 I A 0.0000
539 D A 0.0000
540 R A -1.3601
541 K A -1.6931
542 K A -2.2724
543 S A 0.0000
544 L A 0.0000
545 F A -1.0230
546 K A -1.9408
547 L A -1.1966
548 S A -1.2400
549 Q A -2.0623
550 G A -1.6931
551 E A -1.4211
552 Y A -0.8424
553 I A 0.0000
554 S A 0.0000
555 P A 0.0000
556 E A -0.9392
557 R A -1.4074
558 I A 0.0000
559 E A 0.0000
560 G A -0.1810
561 I A 0.2153
562 Y A 0.0000
563 L A 0.1344
564 S A -0.0944
565 S A -1.0536
566 S A 0.0000
567 S A -0.7853
568 L A -0.3602
569 I A 0.0000
570 Q A -0.3718
571 H A -0.1674
572 V A 0.0000
573 Y A 0.0000
574 V A 0.0000
575 Y A 0.0000
576 G A -0.1817
577 Q A 0.0000
578 S A -1.0572
579 T A -1.2662
580 D A -2.3915
581 R A -2.0283
582 F A 0.2128
583 L A 0.0000
584 V A 0.0000
585 A A 0.0000
586 L A 0.0000
587 I A 0.0000
588 F A 0.0000
589 P A 0.0000
590 N A 0.0000
591 E A 0.0000
592 Q A -0.6319
593 A A 0.3702
594 L A 0.5343
595 R A -1.0879
596 K A -1.6575
597 W A -0.9136
598 S A 0.0000
599 E A -2.8726
600 D A -2.8396
601 K A -2.3439
602 G A -1.0694
603 M A 0.0000
604 N A -0.3850
605 T A 0.6121
606 L A 1.5505
607 S A 0.7467
608 L A 0.3285
609 S A -0.6457
610 L A -0.7921
611 E A -2.8116
612 E A -2.4193
613 L A -1.0680
614 C A -1.4868
615 E A -2.5573
616 S A -2.4045
617 H A -2.5876
618 E A -2.7264
619 L A 0.0000
620 F A -1.6750
621 D A -2.7702
622 E A -2.4819
623 L A 0.0000
624 N A -1.9505
625 D A -2.4653
626 S A 0.0000
627 F A 0.0000
628 H A -1.2328
629 K A -0.9532
630 A A 0.0000
631 E A 0.0000
632 L A 0.7376
633 S A -0.2596
634 S A -0.1954
635 N A -0.4203
636 L A 0.5264
637 F A 1.9387
638 G A 1.1386
639 F A 1.3633
640 E A 0.3907
641 R A 0.0587
642 I A 0.0000
643 H A -0.5880
644 K A -0.6261
645 F A -0.3248
646 K A -0.5085
647 V A 0.0000
648 I A -0.7632
649 P A -0.9994
650 E A -1.7345
651 V A 0.0000
652 L A 0.0000
653 S A -1.0149
654 T A -0.7952
655 S A -1.0971
656 N A -1.4026
657 G A -0.8738
658 L A -0.8198
659 L A 0.0000
660 T A 0.0000
661 P A -0.2650
662 T A 0.0000
663 M A 0.0094
664 K A -0.2267
665 I A 0.0000
666 V A -0.6919
667 R A -1.2934
668 N A -2.0779
669 K A -2.1083
670 V A 0.0000
671 N A -1.7229
672 S A -2.0591
673 K A -2.2219
674 Y A 0.0000
675 K A -2.1046
676 E A -2.2189
677 V A -0.5627
678 L A -0.7770
679 N A -1.3322
680 T A -0.1345
681 L A 0.3149
682 R A -1.4444
683 S A -0.6590
684 Q A -0.4285
685 I A 1.1386

 

Laboratory of Theory of Biopolymers 2015