Project name: Mutant_aggregation

Status: done

submitted: 2018-12-14 00:09:04, status changed: 2018-12-14 00:30:06
Settings
Chain sequence(s) A: QKTIKKQVVLEEGTIAFKNWVKTGTEVYRQFWIFDVQNPQEVMMNSSNIQVKQRGPYTYRVRFLAKENVTQDAEDNTVSFLQPNGAIFEPSLSVGTEADNFTVLNLAVAAASHIYQNQFVQMILNSLINKSKSSMFQVRTLRELLWGYRDPFLSLVPYPVTTTVGLFYPYNNTADGVYKVFNGKDNISKVAIIDTYKGKRNLSYWESHCDMINGTDAASFPPFVEKSQVLQFFSSDICRSIYAVFESDVNLKGIPVYRFVLPSKAFASPVENPDNYCFCTEKIISKNCTSYGVLDISKCKEGRPVYISLPHFLYASPDVSEPIDGLNPNEEEHRTYLDIEPITGFTLQFAKRLQVNLLVKPSEKIQVLKNLKRNYIVPILWLNETGTIGDEKANMFRSQV
B: EDKIMSYNAFFWMWVHDMLIDSIKWRDEHGRCINKDKGKTCIKGCNKKCISFQKWVEQKKTEWGKIKDHFRKQKDIPKDWTHDDFLQTLLMKDLLLEIIQDTYGDANEIKRRIEALLEQAGVGKDDTTIDKLLQHEQKEADKCLKTHTDDTCP
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues FA266L
Energy difference between WT (input) and mutated protein (by FoldX) 4.40511 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
-2.4084
Maximal score value
1.8818
Average score
-0.3924
Total score value
-216.2004

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
35 Q A -1.5030
36 K A -1.9273
37 T A -0.3737
38 I A 0.0000
39 K A -1.9191
40 K A -2.0493
41 Q A -0.6375
42 V A 0.0000
43 V A 0.0000
44 L A 0.0000
45 E A -1.1544
46 E A -2.0555
47 G A -0.8039
48 T A -0.0909
49 I A 0.2195
50 A A 0.0000
51 F A 0.0000
52 K A -1.7576
53 N A -0.6309
54 W A 0.0000
55 V A 0.0536
56 K A -1.6386
57 T A -0.4703
58 G A -0.4759
59 T A -0.4298
60 E A -1.8220
61 V A 0.0000
62 Y A 0.1729
63 R A 0.0000
64 Q A -0.2028
65 F A 0.0000
66 W A 0.1467
67 I A 0.0000
68 F A 0.0000
69 D A -0.1743
70 V A 0.0000
71 Q A -1.2282
72 N A -0.3916
73 P A -0.3118
74 Q A -1.3052
75 E A -0.8443
76 V A 0.0000
77 M A 0.1845
78 M A 0.4938
79 N A -1.1481
80 S A 0.0000
81 S A -0.1450
82 N A -0.3125
83 I A 0.0000
84 Q A -0.6313
85 V A 0.0000
86 K A -1.3906
87 Q A -0.9845
88 R A -0.6579
89 G A -0.1769
90 P A -0.0863
91 Y A 0.0000
92 T A 0.0000
93 Y A 0.0000
94 R A -0.5769
95 V A 0.0000
96 R A -0.6727
97 F A 0.4471
98 L A 0.6024
99 A A -0.1405
100 K A -0.4223
101 E A -1.6967
102 N A -1.4259
103 V A 0.3632
104 T A -0.0394
105 Q A -0.6060
106 D A -0.9545
107 A A -0.4266
108 E A -1.9783
109 D A -1.2934
110 N A -0.3575
111 T A 0.0000
112 V A 0.0000
113 S A -0.0758
114 F A 0.0000
115 L A 0.2298
116 Q A -0.2356
117 P A -0.1246
118 N A -0.3118
119 G A 0.0000
120 A A 0.2577
121 I A 1.4013
122 F A 0.4537
123 E A -0.2015
124 P A -0.3288
125 S A -0.0928
126 L A 0.8800
127 S A 0.4531
128 V A 1.7487
129 G A 0.1939
130 T A -0.1331
131 E A -0.2460
132 A A -0.0437
133 D A -0.5569
134 N A -1.3370
135 F A 0.0000
136 T A 0.2080
137 V A 0.0000
138 L A 0.0000
139 N A 0.0000
140 L A 0.0000
141 A A 0.0000
142 V A 0.0000
143 A A 0.0000
144 A A 0.0000
145 A A 0.0000
146 S A -0.0603
147 H A -0.0598
148 I A 0.8357
149 Y A 0.1489
150 Q A -1.1601
151 N A 0.0000
152 Q A -0.6898
153 F A 0.0000
154 V A 0.0000
155 Q A 0.0000
156 M A 0.0000
157 I A 0.0000
158 L A 0.0000
159 N A -0.1273
160 S A 0.0000
161 L A 0.0000
162 I A 0.0000
163 N A -1.1710
164 K A -1.8254
165 S A -0.6462
166 K A -1.7917
167 S A -0.3492
168 S A -0.0702
169 M A 0.0000
170 F A 0.0000
171 Q A 0.1842
172 V A 1.6961
173 R A 0.0332
174 T A -0.2420
175 L A 0.0000
176 R A -1.9164
177 E A -0.7483
178 L A 0.0000
179 L A 0.0000
180 W A 0.1771
181 G A -0.1484
182 Y A 0.0000
183 R A -1.8450
184 D A 0.0000
185 P A -0.1452
186 F A 0.0000
187 L A 0.0000
188 S A -0.0926
189 L A 0.6036
190 V A 0.2531
191 P A -0.1390
192 Y A 0.0000
193 P A -0.0539
194 V A 0.4066
195 T A 0.0092
196 T A -0.0242
197 T A -0.2701
198 V A 0.0000
199 G A 0.0368
200 L A 0.2394
201 F A 0.4862
202 Y A 0.6495
203 P A -0.0516
204 Y A -0.1307
205 N A -1.4744
206 N A -1.5059
207 T A -0.2391
208 A A -0.0430
209 D A -0.3576
210 G A 0.0000
211 V A 0.9215
212 Y A 0.0000
213 K A -0.3747
214 V A 0.0000
215 F A 0.2087
216 N A 0.0000
217 G A 0.0000
218 K A -2.0209
219 D A -2.2784
220 N A -1.3135
221 I A -0.0111
222 S A -0.3229
223 K A -0.8787
224 V A 0.0000
225 A A 0.0000
226 I A 0.3823
227 I A 0.0000
228 D A -0.1845
229 T A -0.1086
230 Y A -0.1599
231 K A -1.6484
232 G A -0.9396
233 K A -1.3047
234 R A -1.9915
235 N A -0.9116
236 L A 0.0000
237 S A -0.0829
238 Y A 0.3924
239 W A 0.0000
240 E A -1.8578
241 S A -0.7089
242 H A -1.0271
243 C A 0.0000
244 D A 0.0000
245 M A 0.3454
246 I A 0.0000
247 N A -0.4033
248 G A -0.1574
249 T A 0.0000
250 D A -0.4392
251 A A -0.0627
252 A A 0.0308
253 S A 0.0036
254 F A 0.0000
255 P A -0.0462
256 P A 0.0000
257 F A 0.6548
258 V A -0.0653
259 E A -2.0631
260 K A -1.8959
261 S A -0.6305
262 Q A -0.6264
263 V A 0.9946
264 L A 0.0000
265 Q A -0.6469
266 L A 0.0000 mutated: FA266L
267 F A 0.0000
268 S A -0.0365
269 S A -0.2603
270 D A -1.0794
271 I A 0.0000
272 C A 0.0000
273 R A 0.0000
274 S A -0.0237
275 I A 0.0000
276 Y A 0.1579
277 A A 0.0000
278 V A 0.4355
279 F A 0.1261
280 E A -1.7147
281 S A -0.7219
282 D A -1.7345
283 V A -0.3130
284 N A -1.2583
285 L A 0.0000
286 K A -1.1994
287 G A -0.6686
288 I A 0.0000
289 P A -0.4071
290 V A 0.0000
291 Y A -0.0121
292 R A -0.3374
293 F A 0.0000
294 V A 0.0000
295 L A 0.0000
296 P A -0.0458
297 S A -0.3428
298 K A -1.3481
299 A A 0.0000
300 F A 0.2720
301 A A -0.0961
302 S A 0.0000
303 P A 0.2256
304 V A 1.5480
305 E A -0.9462
306 N A -0.3989
307 P A -0.6014
308 D A -1.8567
309 N A -0.2047
310 Y A 1.3124
311 C A 0.3890
312 F A 0.2815
313 C A 0.1823
314 T A -0.1258
315 E A -0.8430
316 K A -1.6046
317 I A 1.5574
318 I A 0.0000
319 S A -0.2887
320 K A -1.4823
321 N A -1.7731
322 C A 0.0000
323 T A -0.0501
324 S A 0.0309
325 Y A 0.3481
326 G A 0.0000
327 V A 0.3675
328 L A 0.1694
329 D A -0.1971
330 I A 0.0000
331 S A -0.4032
332 K A -1.6804
333 C A -0.2620
334 K A -0.8007
335 E A -1.9370
336 G A -0.5811
337 R A -0.5453
338 P A 0.0000
339 V A 0.0000
340 Y A 0.0000
341 I A 0.0000
342 S A 0.0000
343 L A 0.0000
344 P A 0.0000
345 H A 0.0000
346 F A 0.0000
347 L A 0.0000
348 Y A 0.2131
349 A A 0.0479
350 S A 0.0000
351 P A -0.4080
352 D A -1.0959
353 V A 0.0000
354 S A -0.4000
355 E A -1.9243
356 P A 0.0000
357 I A 0.0000
358 D A -1.2741
359 G A -0.6333
360 L A -0.0995
361 N A -1.2691
362 P A -0.5924
363 N A -1.2564
364 E A -2.1870
365 E A -2.3627
366 E A -1.6577
367 H A 0.0000
368 R A -0.2417
369 T A 0.0000
370 Y A 0.2058
371 L A 0.0000
372 D A 0.0000
373 I A 0.0000
374 E A 0.0000
375 P A 0.1941
376 I A 1.1824
377 T A 0.0000
378 G A 0.0000
379 F A 0.1983
380 T A 0.0268
381 L A 0.0000
382 Q A -0.1071
383 F A 0.2003
384 A A 0.0000
385 K A -0.3036
386 R A -0.3006
387 L A 0.0000
388 Q A 0.0000
389 V A 0.0000
390 N A 0.0000
391 L A 0.0000
392 L A 0.0000
393 V A 0.0000
394 K A -0.7601
395 P A -0.2258
396 S A -0.5359
397 E A -1.8962
398 K A -0.7309
399 I A 0.0000
400 Q A -1.2254
401 V A -0.0236
402 L A 0.0000
403 K A -1.8865
404 N A -1.0231
405 L A 0.0000
406 K A -1.7942
407 R A -0.9098
408 N A -0.6296
409 Y A 0.0000
410 I A 0.0000
411 V A 0.0000
412 P A 0.0000
413 I A 0.0000
414 L A 0.0000
415 W A 0.0000
416 L A 0.0000
417 N A -0.1680
418 E A 0.0000
419 T A -0.0144
420 G A 0.0000
421 T A -0.0509
422 I A 0.0000
423 G A -0.5168
424 D A -2.1515
425 E A -2.1872
426 K A -0.5614
427 A A 0.0000
428 N A -0.7146
429 M A 0.0247
430 F A 0.0000
431 R A -1.8816
432 S A -0.7528
433 Q A -1.0808
434 V A 0.6705
576 E B -2.1485
577 D B -2.3255
578 K B -1.0483
579 I B 1.8818
580 M B 0.6732
581 S B -0.1201
582 Y B 0.0991
583 N B -0.1091
584 A B 0.0054
585 F B 0.0000
586 F B 0.0000
587 W B 0.0000
588 M B 0.2939
589 W B 0.0000
590 V B 0.0000
591 H B 0.0000
592 D B -1.0470
593 M B 0.0000
594 L B 0.0000
595 I B -0.0216
596 D B -1.0382
597 S B 0.0000
598 I B 0.0000
599 K B -1.5861
600 W B -0.1390
601 R B -0.5911
602 D B -2.3189
603 E B -2.1684
604 H B -0.4978
605 G B -0.5262
606 R B -1.8656
607 C B 0.0000
608 I B 0.0000
609 N B -1.2214
610 K B -2.1905
611 D B -2.4084
612 K B -2.1088
613 G B -1.0813
614 K B -1.7981
615 T B -0.3555
616 C B 0.2684
617 I B 0.4713
618 K B -1.5796
619 G B -0.4445
620 C B 0.0000
621 N B -0.4673
622 K B -1.8267
623 K B -0.8463
624 C B 0.0000
625 I B 0.6844
626 S B -0.1296
627 F B 0.0000
628 Q B -0.5713
629 K B -1.7495
630 W B -0.3100
631 V B 0.0000
632 E B -2.1262
633 Q B -1.5449
634 K B -0.6269
635 K B -1.1631
636 T B -0.2843
637 E B -0.3842
638 W B 0.0000
639 G B -0.5270
640 K B -1.7397
641 I B 0.0000
642 K B -0.4757
643 D B -1.6001
644 H B -0.4639
645 F B 0.0000
646 R B -1.0051
647 K B -1.2556
648 Q B -0.6337
649 K B -2.0491
650 D B -2.0429
651 I B -0.0293
652 P B 0.0000
653 K B -2.0173
654 D B -2.0681
655 W B -0.2090
656 T B -0.0825
657 H B -0.3189
658 D B -0.8053
659 D B -1.0226
660 F B 0.0000
661 L B 0.0000
662 Q B -0.5736
663 T B -0.1127
664 L B 0.0000
665 L B 0.0000
666 M B 0.3275
667 K B -0.7271
668 D B -1.8217
669 L B 0.0000
670 L B 0.0000
671 L B 0.0000
672 E B -1.1996
673 I B 0.0000
674 I B 0.0000
675 Q B -1.0404
676 D B -1.9222
677 T B -0.2911
678 Y B 0.4632
679 G B -0.5942
680 D B -0.9593
681 A B -0.3348
682 N B -1.5107
683 E B -0.5738
684 I B 0.0000
685 K B -1.9979
686 R B -1.2057
687 I B 0.0000
688 E B -0.9689
689 A B -0.3254
690 L B 0.0000
691 L B 0.0000
692 E B -2.0121
693 Q B -0.9860
694 A B -0.1963
695 G B -0.4267
696 V B 0.0574
697 G B -0.7072
716 K B -2.0002
717 D B -1.8817
718 T B 0.0000
719 T B -0.1356
720 I B 0.0000
721 D B -0.5822
722 K B -1.2954
723 L B 0.0000
724 L B 0.0000
725 Q B -0.9087
726 H B -0.2613
727 E B 0.0000
728 Q B -0.5829
729 K B -1.6354
730 E B 0.0000
731 A B 0.0000
732 D B -0.9460
733 K B -1.7879
734 C B 0.0000
735 L B 0.0096
736 K B -1.6460
737 T B -0.3144
738 H B 0.0000
739 T B -0.2275
740 D B -0.9397
741 D B -0.4877
742 T B -0.0939
743 C B 0.0986
744 P B -0.2090

 

Laboratory of Theory of Biopolymers 2015