Project name: test [mutate: FD647R, RA128K, RA269K, RA493K, RA844K]

Status: done

submitted: 2019-03-11 04:14:06, status changed: 2019-03-11 05:49:24
Settings
Chain sequence(s) A: MDANVVSSSTIATYIDALAKNASELEINNELELVFIKPPLITLTNVVNISTIQESFIRFTVTNEGVKIRTKIPLSKVHGLDVKNVQLVDAIDNIVWEKKSLVTENRLHKECLLRLSTEERHIFLDYKKYGSSIRLELVNLIQAKTKNFTIDFKLKYFLGSGAQSKSSLLHAINHPKSRPNTSLEIEFTPRDNETVPYDELIKELTTLSRHIFMASPENVILSPPINAPIKTFMLPKQDIVGLDLENLYAVTKTDGIPITIRVTSNGLYCYFTHLGYIIRYPIIDSEVVVFGEAVKDKNWTVYLIKLIEINDRLEESKYVESKLVDICDRIVFKSKKYEGPFTTTSEVVDMLSTYLPKQPEGVILFYSKGPKSNIDFKIKKENTIDQTANVVFSSEPIIFGESSIFVEYKKFSNDKGFPKEYGSGKIVLYNGVNYLNNIYCLEYINTHNEVGIKSVVVPIKFIAEFLVNGEILKPRIDKTMKYINSEDYYGNQHNIIVEHLRDQSIKIGDNDKFRLNPEVRGPLGILSNYVKTLLISMYCSKTFLDDSNKRKVLAIDFGNGADLEKYFYGEIALLVATDPDADAIARGNERYNKLNSGIKTKYYKFDYIQETIRSDTFVSSVREVFYFFGKFNIIDWQFAIHYSFHPRHYATVMNNLSELTASGGKVLITTMDGDKLSKLTDKKTFIIHKNLPSSENYMSVEKIADDRIVVYNPSTMSTPMTEYIIKKNDIVRVFNEYGFVLVDNVDFATIIERSKKFINGASTMEDRPSTRNFFELNRGAIKCEGLDVEDLLSYYVVYVFSKR
B: MDEIVKNIREGTHVLLPFYETLPELNLSLGKSPLPSLEYGANYFLQISRVNDLNRMPTDMLKLFTHDIMLPESDLDKVYEILKINSVKYYGRSTKADAVVADLSARNKLFKRERDAIKSNTENNLYISDYKMLTFDVFRPLFDFVNEKYCIIKLPTLFGRGVIDTMRIYCSLFKNVRLLKCVSDSWLKDSAIMVASDVCKKNLDLFMSHVKSVTKSSSWKDVNSVQFSILNNPVDTEFINKFLEFSNRVYEALYYVHSLLYSSMTSDSKSIENKHQRRLVKLLL
E: MDEIVKNIREGTHVLLPFYETLPELNLSLGKSPLPSLEYGANYFLQISRVNDLNRMPTDMLKLFTHDIMLPESDLDKVYEILKINSVKYYDAVVADLSARNKLFKRERDAIKSNTENNLYISDYKMLTFDVFRPLFDFVNEKYCIIKLPTLFGRGVIDTMRIYCSLFKNVRLLKCVSDSWLKDSAIMVASDVCKKNLDLFMSHVKSVTKSSSWKDVNSVQFSILNNPVDTEFINKFLEFSNRVYEALYYVHSLLYSSMTSDSKSIENKHQRRLVKLLL
D: MDANVVSSSTIATYIDALAKNASELEQINNELELVFIKPPLITLTNVVNISTIQESFIRFTVTNKEGVKIRTKIPLSKVHGLDVKNVQLVDAIDNIVWEKKSLVTENRLHKECLLRLSTEERHIFLDYKKYGSSIRLELVNLIQAKTKNFTIDFKLKYFLGSGAQSKSSLLHAINHPKSRPNTSLEIEFTPRDNETVPYDELIKELTTLSRHIFMASPENVILSPPINAPIKTFMLPKQDIVGLDLENLYAVTKTDGIPITIRVTSNGLYCYFTHLGYIIRYPVKRIIDSEVVVFGEAVKDKNWTVYLIKLIEPVINDRLEESKYVESKLVDICDRIVFKSKKYEGPFTTTSEVVDMLSTYLPKQPEGVILFYSKGPKSNIDFKIKKENTIDQTANVVFRYMSSEPIIFGESSIFVEYKKFSNDKGFPKEYGSGKIVLYNGVNYLNNIYCLEYINTHNEVGIKSVVVPIKFIAEFLVNGEILKPRIDKTMKYINSEDYYGNQHNIIVEHLRDQSIKIGDINDKFRLNPEVRGPLGILSNYVKTLLISMYCSKTFLDDSNKRKVLAIDFGNGADLEKYFYGEIALLVATDPDADAIARGNERYNKLNSGIKTKYYKFDYIQETIRSDTFVSSVREVFYFFGKFNIIDWQFAIHYSFHPRHYATVMNNLSELTASGGKVLITTMDGDKLSKLTDKKTFIIHKNLPSSENYMSVEKIADDRIVVYNPSTMSTPMTEYIIKKNDIVRVFNEYGFVLVDNVDFATIIERSKKFINGASTMEDRPSTRNFFELNRGAIKCEGLDVEDLLSYYVVYVFSKR
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues FD647R, RA128K, RA269K, RA493K, RA844K
Energy difference between WT (input) and mutated protein (by FoldX) 4.61632 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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
-2.4464
Maximal score value
2.1622
Average score
-0.3195
Total score value
-695.6409

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 0.0386
2 D A -1.7110
3 A A -0.5042
4 N A -1.2623
5 V A 0.0000
6 V A 1.7152
7 S A 0.0836
8 S A -0.1999
9 S A -0.1284
10 T A -0.0307
11 I A 0.0000
12 A A -0.1159
13 T A -0.0348
14 Y A 0.0000
15 I A 0.0000
16 D A -0.9763
17 A A -0.1727
18 L A 0.0000
19 A A 0.0000
20 K A -1.7913
21 N A -0.8078
22 A A 0.0000
23 S A -0.3796
24 E A -1.6057
25 L A 0.5343
26 E A -1.5982
34 I A 1.7771
35 N A -1.0968
36 N A -1.3418
37 E A -0.4213
38 L A 0.0000
39 E A 0.0000
40 L A 0.0000
41 V A 0.0000
42 F A 0.0000
43 I A 0.8161
44 K A -0.5516
45 P A 0.0000
46 P A 0.0000
47 L A 0.0000
48 I A 0.0000
49 T A 0.0000
50 L A 0.0000
51 T A 0.0000
52 N A -0.1601
53 V A 0.0000
54 V A -0.0421
55 N A -1.0837
56 I A 0.6053
57 S A 0.1340
58 T A 0.1043
59 I A 0.9071
60 Q A -0.2877
61 E A -0.9182
62 S A 0.0000
63 F A 0.0000
64 I A 0.0000
65 R A -0.4519
66 F A 0.0000
67 T A -0.0538
68 V A 0.0000
69 T A -0.3460
70 N A -1.2788
72 E A -1.9059
73 G A -0.8021
74 V A 0.0000
75 K A -0.7011
76 I A 0.0000
77 R A -0.3564
78 T A 0.0000
79 K A -1.3275
80 I A 0.0000
81 P A -0.1147
82 L A 0.1050
83 S A -0.3442
84 K A -0.9254
85 V A 0.0000
86 H A -1.0757
87 G A -0.6481
88 L A 0.0000
89 D A -1.7572
90 V A -0.2983
91 K A -0.7937
92 N A 0.0000
93 V A 0.5048
94 Q A -0.9779
95 L A 0.0000
96 V A 0.0000
97 D A -1.7864
98 A A -0.3122
99 I A 0.0000
100 D A -1.9448
101 N A -1.0103
102 I A 0.7988
103 V A 0.6835
104 W A 0.0000
105 E A -1.4180
106 K A -0.9499
107 K A 0.0000
108 S A 0.0284
109 L A 0.7261
110 V A 1.8392
111 T A -0.0341
112 E A -2.0992
113 N A -1.9433
114 R A -1.9878
115 L A -0.0287
116 H A -0.4334
117 K A -1.9018
118 E A -1.2271
119 C A 0.0000
120 L A -0.0828
121 L A 0.0000
122 R A -0.4884
123 L A 0.1647
124 S A 0.0000
125 T A -0.1897
126 E A -1.2555
127 E A -2.2464
128 K A -2.2117 mutated: RA128K
129 H A -0.3202
130 I A 1.6129
131 F A 0.7901
132 L A 1.3399
133 D A -1.0350
134 Y A -0.4283
135 K A -1.9879
136 K A -1.8365
137 Y A 0.6423
138 G A 0.0917
139 S A -0.2492
140 S A -0.1854
141 I A 0.0000
142 R A -1.4924
143 L A 0.0000
144 E A -0.1414
145 L A 0.0000
146 V A 0.0000
147 N A 0.0000
148 L A 0.0000
149 I A 0.0000
150 Q A -0.1765
151 A A 0.0000
152 K A -1.5832
153 T A -0.6295
154 K A -1.7275
155 N A -0.4591
156 F A 0.0000
157 T A 0.0000
158 I A 0.0000
159 D A -0.2362
160 F A 0.0000
161 K A 0.0000
162 L A 0.0000
163 K A -0.5501
164 Y A 0.0000
165 F A 1.9016
166 L A 0.0000
167 G A -0.0584
168 S A -0.1922
169 G A 0.0000
170 A A -0.0774
171 Q A -0.6916
172 S A -0.6454
173 K A -1.7398
174 S A -0.4663
175 S A 0.0000
176 L A 0.0000
177 L A 0.1619
178 H A -0.9217
179 A A 0.0000
180 I A 0.0000
181 N A -0.4010
182 H A -0.3445
183 P A 0.0000
184 K A -1.5976
185 S A -0.3413
186 R A 0.0000
187 P A 0.0000
188 N A -1.0520
189 T A 0.0000
190 S A -0.0210
191 L A 0.0000
192 E A -0.2475
193 I A 0.0000
194 E A -0.4258
195 F A 0.1091
196 T A -0.0014
197 P A -0.4604
198 R A -2.1910
199 D A -2.3623
200 N A -1.9330
201 E A -2.0650
202 T A -0.3722
203 V A 0.1572
204 P A -0.0090
205 Y A -0.0603
206 D A -2.0713
207 E A -2.1487
208 L A 0.0000
209 I A -0.0260
210 K A -1.7668
211 E A -0.9679
212 L A 0.0000
213 T A -0.0276
214 T A -0.0736
215 L A 0.0000
216 S A 0.0000
217 R A -1.1229
218 H A -0.6156
219 I A 0.0000
220 F A 0.0000
221 M A 0.3908
222 A A -0.0386
223 S A -0.0341
224 P A 0.0000
225 E A -1.0573
226 N A -0.5948
227 V A 0.0000
228 I A 0.0000
229 L A 0.1660
230 S A -0.0601
231 P A -0.3097
232 P A -0.2217
233 I A 0.1509
234 N A -1.1885
235 A A -0.2267
236 P A -0.0840
237 I A 0.0000
238 K A -1.4476
239 T A -0.2728
240 F A 0.2357
241 M A 0.0000
242 L A 0.0000
243 P A 0.0000
244 K A 0.0000
245 Q A -1.4067
246 D A -1.3616
247 I A 0.0000
248 V A 1.6865
249 G A -0.0822
250 L A 0.0460
251 D A -0.8192
252 L A -0.2129
253 E A -1.8979
254 N A -1.0524
255 L A 0.0000
256 Y A 0.1452
257 A A 0.0000
258 V A 0.2482
259 T A -0.0384
260 K A -0.3228
261 T A -0.3669
262 D A -1.6384
263 G A -0.3086
264 I A 0.1641
265 P A -0.0681
266 I A 0.0000
267 T A 0.0000
268 I A 0.0000
269 K A 0.0000 mutated: RA269K
270 V A 0.0000
271 T A -0.0464
272 S A -0.2250
273 N A -1.3257
274 G A -0.3330
275 L A 0.0000
276 Y A 0.0000
277 C A 0.0000
278 Y A 0.0000
279 F A 0.0000
280 T A -0.0140
281 H A 0.0000
282 L A 0.0000
283 G A -0.0559
284 Y A 0.0000
285 I A 0.0000
286 I A 0.0000
287 R A -0.6019
288 Y A 0.0000
289 P A -0.2622
293 I A 2.0479
294 I A 0.3641
295 D A -1.7697
296 S A -0.7999
297 E A -1.4025
298 V A -0.0818
299 V A 0.0000
300 V A 0.0000
301 F A 0.0000
302 G A 0.0000
303 E A 0.0000
304 A A 0.0000
305 V A 0.2277
306 K A -0.8963
307 D A -2.2191
308 K A -2.2380
309 N A -1.6719
310 W A 0.0000
311 T A -0.0102
312 V A 0.0000
313 Y A 0.2575
314 L A 0.0000
315 I A 0.3716
316 K A -0.2342
317 L A 0.2724
318 I A 0.5577
319 E A -1.6638
324 I A 1.7774
325 N A -0.9655
326 D A -0.5830
327 R A 0.0000
328 L A -0.1091
329 E A -1.4187
330 E A -0.4656
331 S A -0.3125
332 K A -1.2034
333 Y A 0.4087
334 V A 0.0000
335 E A -0.6391
336 S A -0.5223
337 K A -1.1196
338 L A 0.0000
339 V A 1.4454
340 D A -1.3236
341 I A 0.4436
342 C A 0.0000
343 D A -2.1201
344 R A -2.2746
345 I A 0.0000
346 V A 0.9891
347 F A 0.0000
348 K A -1.1766
349 S A -0.3023
350 K A -0.5466
351 K A -1.6720
352 Y A -0.0165
353 E A -0.5113
354 G A -0.3496
355 P A -0.2560
356 F A 0.1352
357 T A -0.0400
358 T A -0.0440
359 T A -0.0633
360 S A -0.2908
361 E A -0.8326
362 V A 0.0000
363 V A 0.2421
364 D A -1.6802
365 M A 0.0000
366 L A 0.0000
367 S A -0.0964
368 T A 0.0106
369 Y A 0.3805
370 L A 0.0000
371 P A -0.5656
372 K A -1.7793
373 Q A -0.5367
374 P A -0.4711
375 E A -1.0465
376 G A 0.0000
377 V A 0.0000
378 I A 0.0000
379 L A 0.0000
380 F A 0.0000
381 Y A 0.0000
382 S A 0.0000
383 K A -1.4581
384 G A -0.4792
385 P A -0.2585
386 K A -0.3282
387 S A -0.3190
388 N A -1.2323
389 I A 0.0185
390 D A 0.0000
391 F A 0.3071
392 K A -0.1142
393 I A 0.0000
394 K A -0.4119
395 K A -1.6439
396 E A -2.0548
397 N A 0.0000
398 T A 0.0012
399 I A 0.0000
400 D A -0.4734
401 Q A 0.0000
402 T A 0.0000
403 A A 0.0000
404 N A 0.0000
405 V A 0.0000
406 V A 0.3667
407 F A 0.4423
411 S A -0.2233
412 S A -0.2466
413 E A -0.8305
414 P A 0.0000
415 I A 0.6831
416 I A 1.1518
417 F A 2.0755
418 G A -0.2311
419 E A -1.9060
420 S A -0.5705
421 S A -0.0759
422 I A 0.7282
423 F A 0.5305
424 V A 0.0000
425 E A -1.0004
426 Y A 0.0000
427 K A -0.7331
428 K A -0.3156
429 F A 0.0000
430 S A 0.0000
431 N A -0.1720
432 D A -0.3509
433 K A -0.4647
434 G A 0.1313
435 F A 1.9126
436 P A 0.0000
437 K A -1.3557
438 E A -1.9134
439 Y A 0.1636
440 G A -0.0579
441 S A -0.3436
442 G A -0.4461
443 K A -1.8119
444 I A 0.0000
445 V A 1.6768
446 L A 0.0000
447 Y A 0.6287
448 N A -1.1469
449 G A -0.3625
450 V A 0.1105
451 N A -0.2874
452 Y A 0.0000
453 L A -0.0308
454 N A -1.4130
455 N A -1.2869
456 I A 0.0000
457 Y A 0.0000
458 C A 0.0000
459 L A 0.0000
460 E A -0.2732
461 Y A 0.0000
462 I A 0.0401
463 N A -1.2205
464 T A -0.2436
465 H A 0.0000
466 N A -1.0840
467 E A -0.5696
468 V A 0.0000
469 G A -0.4752
470 I A -0.1633
471 K A -1.6641
472 S A -0.3020
473 V A 0.0000
474 V A 0.0000
475 V A 0.0000
476 P A 0.0000
477 I A 0.0000
478 K A 0.0000
479 F A 0.0000
480 I A 0.0000
481 A A 0.0000
482 E A -0.3285
483 F A 0.0000
484 L A 0.2652
485 V A 0.0033
486 N A -1.2593
487 G A -0.6891
488 E A -1.7759
489 I A 0.1715
490 L A 0.7975
491 K A -0.1328
492 P A 0.0000
493 K A -0.4793 mutated: RA493K
494 I A 0.0000
495 D A -0.3348
496 K A -0.7081
497 T A 0.0000
498 M A -0.1412
499 K A -1.0930
500 Y A 0.0000
501 I A 0.0000
502 N A -0.9640
503 S A -0.5541
504 E A -1.9225
505 D A -0.8147
506 Y A 0.0886
507 Y A 0.0000
508 G A 0.0000
509 N A -0.2946
510 Q A -0.4074
511 H A -0.3614
512 N A 0.0000
513 I A 0.2480
514 I A 0.3339
515 V A 0.4546
516 E A 0.0000
517 H A 0.0000
518 L A 0.9441
519 R A -1.5974
520 D A 0.0000
521 Q A -0.4404
522 S A -0.2287
523 I A -0.0367
524 K A -1.5760
525 I A -0.0403
526 G A -0.7295
527 D A -1.8752
544 N A -1.3787
545 D A -0.9034
546 K A -0.6147
547 F A 0.0000
548 R A -0.5013
549 L A 0.0000
550 N A -0.1580
551 P A -0.4790
552 E A -1.5176
553 V A 1.4399
562 R A -1.8568
563 G A -0.4137
564 P A -0.0366
565 L A 0.0000
566 G A -0.1626
567 I A 0.0000
568 L A 0.0000
569 S A -0.1283
570 N A -0.4872
571 Y A 0.0000
572 V A 0.0000
573 K A 0.0000
574 T A -0.0091
575 L A 0.0000
576 L A 0.0000
577 I A 0.0000
578 S A -0.0268
579 M A 0.0000
580 Y A 0.0000
581 C A 0.0000
582 S A 0.0000
583 K A -0.2893
584 T A -0.2541
585 F A 0.0000
586 L A 0.0000
587 D A -1.2567
588 D A -0.7402
589 S A -0.5702
590 N A -1.6267
591 K A -1.9356
592 R A 0.0000
593 K A -0.7425
594 V A 0.0000
595 L A 0.0000
596 A A 0.0000
597 I A 0.0000
598 D A -0.2309
599 F A 0.0000
600 G A -0.3731
601 N A -1.2985
602 G A 0.0000
603 A A 0.0467
604 D A 0.0000
605 L A 0.0000
606 E A -1.0325
607 K A -0.3897
608 Y A 0.0000
609 F A 0.5940
610 Y A 1.3716
611 G A -0.1389
612 E A -1.8284
613 I A 0.0000
614 A A 0.0140
615 L A 0.0000
616 L A 0.0000
617 V A 0.0000
618 A A 0.0000
619 T A 0.0000
620 D A 0.0000
621 P A -0.3297
622 D A -1.5771
623 A A -0.5674
624 D A -1.7785
625 A A -0.2760
626 I A 0.2640
627 A A -0.2317
628 R A -1.8795
629 G A 0.0000
630 N A -0.9041
631 E A -2.4464
632 R A -2.3377
633 Y A -0.4257
634 N A -1.6167
635 K A -2.0902
636 L A -0.1469
637 N A -0.6279
638 S A -0.2444
639 G A -0.1001
640 I A 1.6101
641 K A -1.3357
642 T A -0.6760
643 K A -1.6839
644 Y A -0.1838
645 Y A 0.0000
646 K A -1.6494
647 F A -0.2119
648 D A -0.8783
649 Y A 0.0047
650 I A 0.0678
651 Q A -1.1869
652 E A -0.4248
653 T A 0.0000
654 I A 0.0000
655 R A -0.1778
656 S A 0.0000
657 D A -1.7959
658 T A -0.3644
659 F A 0.0000
660 V A 0.1757
661 S A -0.2269
662 S A -0.0836
663 V A 0.0000
664 R A -0.6273
665 E A -1.8000
666 V A 0.1822
667 F A 0.0000
668 Y A 1.6259
669 F A 2.1600
670 G A 0.0812
671 K A -0.9243
672 F A 0.0000
673 N A -0.2653
674 I A 0.0000
675 I A 0.0000
676 D A 0.0000
677 W A 0.0000
678 Q A 0.0000
679 F A 0.5222
680 A A 0.0000
681 I A 0.0000
682 H A 0.0000
683 Y A 0.2657
684 S A 0.0000
685 F A 0.0000
686 H A 0.0000
687 P A -0.0290
688 R A 0.0000
689 H A 0.0000
690 Y A 0.1585
691 A A 0.0424
692 T A -0.0150
693 V A 0.0000
694 M A 0.0000
695 N A -0.7115
696 N A 0.0000
697 L A 0.0000
698 S A -0.4020
699 E A -1.5335
700 L A 0.0000
701 T A 0.0000
702 A A -0.1400
703 S A -0.2972
704 G A -0.5057
705 G A 0.0000
706 K A -0.2037
707 V A 0.0000
708 L A 0.0000
709 I A 0.0000
710 T A 0.0000
711 T A 0.0000
712 M A 0.0000
713 D A -0.4117
714 G A 0.0000
715 D A -0.7970
716 K A -0.8440
717 L A 0.0000
718 S A -0.3465
719 K A -1.6777
720 L A -0.1661
721 T A -0.3709
722 D A -2.1141
723 K A -2.2611
724 K A -1.3127
725 T A -0.2173
726 F A 0.0000
727 I A 0.7376
728 I A 0.0000
729 H A -0.5701
730 K A -1.6532
731 N A -1.3935
732 L A 0.4081
733 P A -0.1692
734 S A -0.2872
735 S A -0.4592
736 E A -1.5181
737 N A -0.4096
738 Y A 0.2958
739 M A 0.0000
740 S A 0.0000
741 V A 0.0000
742 E A -0.7170
743 K A -0.6819
744 I A 0.0000
745 A A -0.3222
746 D A -1.8764
747 D A -0.7877
748 R A 0.0000
749 I A 0.0000
750 V A 0.0000
751 V A 0.0000
752 Y A 0.2669
753 N A 0.0000
754 P A -0.0843
755 S A -0.2341
756 T A -0.0811
757 M A 0.1042
758 S A -0.1961
759 T A -0.1151
760 P A 0.0003
761 M A 0.1500
762 T A 0.0000
763 E A 0.0000
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287 L E 1.5855

 

Laboratory of Theory of Biopolymers 2015