Project name: TG6 op [mutate: LA517W]

Status: done

submitted: 2018-11-08 14:15:30, status changed: 2018-11-08 14:42:41
Settings
Chain sequence(s) A: MAGIRVTKVDWQRSRNGAAHHTQEYPCPELVVRRGQSFSLTLELSRALDCEEILIFTMETGPRASEALHTKAVFQTSELERGEGWTAAREAQMEKTLTVSLASPPSAVIGRYLLSIRLSSHRKHSNRRLGEFVLLFNPWCAEDDVFLASEEERQEYVLSDSGIIFRGVEKHIRAQGWNYGQFEEDILNICLSILDRSPGHQNNPATDVSCRHNPIYVTRVISAMVNSNNDRGVVQGQWQGKYGGGTSPLHWRGSVAILQKWLKGRYKPVKYGQCWVFAGVLCTVLRCLGIATRVVSNFNSAHDTDQNLSVDKYVDSFGRTLEDLTEDSMWNFHVWNESWFARQDLGPSYNGWQVLDATPQEESEGVFRCGPASVTAIREGDVHLAHDGPFVFAEVNADYITWLWHEDESRERVYSNTKKIGRCISTKAVGSDSRVDITDLYKYPEGSRKERQVYSKAVNRLFGVEASGRRIWIRRAGGRCLWRDDLLEPATKPSIAGKFKVLEPPMLGHDLRLALCLANLTSRAQRVRVNLSGATILYTRKPVAEILHESHAVRLGPQEEKRIPITISYSKYKEDLTEDKKILLAAMCLVTKGEKLLVEKDITLEDFITIKVLGPAMVGVAVTVEVTVVNPLIERVKDCALMVEGSGLLQEQLSIDVPTLEPQERASVQFDITPSKSGPRQLQVDLVSPHFPDIKGFVIVH
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA517W
Energy difference between WT (input) and mutated protein (by FoldX) 11.6135 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
-4.215
Maximal score value
2.0569
Average score
-0.9349
Total score value
-655.3977

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 -0.1399
2 A A -0.8615
3 G A -1.4911
4 I A 0.0000
5 R A -2.3099
6 V A -1.4877
7 T A -1.7415
8 K A -2.1866
9 V A -1.2905
10 D A -1.9123
11 W A -1.8787
12 Q A -1.9850
13 R A -2.6131
14 S A -1.8802
15 R A -2.5407
16 N A 0.0000
17 G A 0.0000
18 A A -1.3911
19 A A -0.9107
20 H A 0.0000
21 H A -0.9315
22 T A 0.0000
23 Q A -2.0886
24 E A -2.0098
25 Y A -1.8242
26 P A 0.0000
27 C A -0.8443
28 P A -1.0368
29 E A -2.2637
30 L A 0.0000
31 V A 0.0000
32 V A 0.0000
33 R A 0.0000
34 R A 0.0000
35 G A -1.1529
36 Q A -0.8058
37 S A -0.3736
38 F A 0.0000
39 S A 0.0000
40 L A 0.0000
41 T A -1.2750
42 L A 0.0000
43 E A -2.3331
44 L A -2.1326
45 S A -2.1285
46 R A -2.8992
47 A A -2.2152
48 L A -1.9398
49 D A -2.0070
50 C A -1.4479
51 E A -2.1159
52 E A -1.2427
53 I A -0.0471
54 L A 0.0000
55 I A -0.1095
56 F A 0.0000
57 T A -0.3260
58 M A 0.0000
59 E A -1.9470
60 T A 0.0000
61 G A -1.5401
62 P A -1.4337
63 R A -2.3142
64 A A -1.9730
65 S A -1.8862
66 E A -2.1475
67 A A -1.0499
68 L A -0.9737
69 H A -1.7768
70 T A 0.0000
71 K A -1.8323
72 A A -0.4664
73 V A 0.7990
74 F A 0.0000
75 Q A -0.6762
76 T A -0.9492
77 S A -1.2003
78 E A -2.3974
79 L A -0.8773
80 E A -2.8047
81 R A -3.2205
82 G A -2.5866
83 E A -3.1055
84 G A -1.9275
85 W A -0.8176
86 T A -1.2494
87 A A 0.0000
88 A A -1.8701
89 R A -2.6603
90 E A -2.8439
91 A A -1.5502
92 Q A -1.9594
93 M A -0.9674
94 E A -2.5957
95 K A -2.9421
96 T A -1.7128
97 L A 0.0000
98 T A -1.2963
99 V A 0.0000
100 S A -0.8603
101 L A 0.0000
102 A A -0.9578
103 S A 0.0000
104 P A -1.3432
105 P A 0.0000
106 S A -1.1330
107 A A 0.0000
108 V A 0.0000
109 I A 0.0000
110 G A 0.0000
111 R A -1.7153
112 Y A 0.0000
113 L A -1.4700
114 L A 0.0000
115 S A -1.6062
116 I A 0.0000
117 R A -1.8289
118 L A 0.0000
119 S A 0.0000
120 S A 0.0000
121 H A -2.6476
122 R A -3.2419
123 K A -3.2858
124 H A -2.7809
125 S A -2.1377
126 N A -2.5293
127 R A -2.3855
128 R A -2.7386
129 L A -1.8168
130 G A -1.7561
131 E A -2.6144
132 F A 0.0000
133 V A 0.0000
134 L A 0.0000
135 L A 0.0000
136 F A 0.0000
137 N A 0.0000
138 P A 0.0000
139 W A -0.1585
140 C A 0.0000
141 A A -0.7041
142 E A -2.0840
143 D A 0.0000
144 D A -0.9386
145 V A 0.0000
146 F A 0.1792
147 L A 0.0000
148 A A -0.2792
149 S A -1.1245
150 E A -2.0074
151 E A -2.6659
152 E A -1.8103
153 R A -1.4008
154 Q A -1.8486
155 E A 0.0000
156 Y A 0.0000
157 V A 0.0000
158 L A -0.8365
159 S A -1.0402
160 D A -1.9878
161 S A -1.5272
162 G A -1.1888
163 I A -1.0151
164 I A 0.0000
165 F A 0.0000
166 R A -1.0761
167 G A -1.2376
168 V A -1.0238
169 E A -1.3773
170 K A -2.1733
171 H A -1.9423
172 I A -1.3769
173 R A -2.1314
174 A A -1.4461
175 Q A -1.0840
176 G A -1.4600
177 W A 0.0000
178 N A -2.1795
179 Y A 0.0000
180 G A 0.0000
181 Q A 0.0000
182 F A -1.7821
183 E A -2.8816
184 E A -3.0894
185 D A -2.2631
186 I A 0.0000
187 L A 0.0000
188 N A -1.3934
189 I A 0.0000
190 C A 0.0000
191 L A 0.0000
192 S A -0.7015
193 I A 0.0000
194 L A 0.0000
195 D A -1.6024
196 R A -1.8371
197 S A 0.0000
198 P A -1.3388
199 G A -1.2728
200 H A -2.0487
201 Q A -2.6166
202 N A -2.4677
203 N A -2.3753
204 P A -2.0011
205 A A -1.4296
206 T A -0.8484
207 D A 0.0000
208 V A 0.0000
209 S A 0.0000
210 C A -0.0073
211 R A 0.0000
212 H A -0.4742
213 N A -0.5764
214 P A 0.0000
215 I A 0.0000
216 Y A 0.1812
217 V A 0.0000
218 T A 0.0000
219 R A 0.0161
220 V A 0.0000
221 I A 0.0000
222 S A 0.0000
223 A A 0.0000
224 M A 0.0000
225 V A 0.0000
226 N A -1.2767
227 S A -1.6746
228 N A -2.6671
229 N A -2.7987
230 D A -3.4423
231 R A -3.0518
232 G A 0.0000
233 V A 0.0000
234 V A 0.0000
235 Q A -1.8632
236 G A 0.0000
237 Q A -0.9773
238 W A -0.4831
239 Q A -1.2715
240 G A -1.6470
241 K A -2.3397
242 Y A -1.5908
243 G A -1.4513
244 G A -1.3473
245 G A -1.3033
246 T A -0.9146
247 S A -0.7893
248 P A 0.0000
249 L A 0.0890
250 H A -0.9881
251 W A 0.0000
252 R A -2.2394
253 G A -1.6972
254 S A 0.0000
255 V A -1.0503
256 A A -0.6532
257 I A 0.0000
258 L A 0.0000
259 Q A -1.5999
260 K A -2.5494
261 W A 0.0000
262 L A -2.0386
263 K A -2.9552
264 G A -2.6804
265 R A -3.0597
266 Y A -2.6617
267 K A -3.6030
268 P A -2.3771
269 V A -1.3871
270 K A -1.8545
271 Y A -1.1735
272 G A 0.0000
273 Q A -0.2433
274 C A 0.0000
275 W A 0.0000
276 V A 0.0000
277 F A 0.0000
278 A A 0.0000
279 G A 0.0000
280 V A 0.0000
281 L A 0.0000
282 C A 0.0000
283 T A 0.0000
284 V A 0.0000
285 L A 0.0000
286 R A 0.0000
287 C A 0.0000
288 L A 0.0000
289 G A 0.0000
290 I A 0.0000
291 A A 0.0000
292 T A 0.0000
293 R A 0.0000
294 V A 0.0000
295 V A 0.0000
296 S A 0.0000
297 N A 0.0000
298 F A 0.0000
299 N A 0.0000
300 S A 0.0000
301 A A -1.4021
302 H A -2.1578
303 D A -3.0106
304 T A -2.6467
305 D A -2.9419
306 Q A -2.7836
307 N A -1.8389
308 L A -0.8732
309 S A 0.0000
310 V A -0.7929
311 D A -1.7618
312 K A -0.9414
313 Y A -0.2176
314 V A 0.3879
315 D A -1.6382
316 S A -1.1988
317 F A 0.0045
318 G A -1.4746
319 R A -2.2610
320 T A -1.6881
321 L A -0.9406
322 E A -2.3126
323 D A -2.2039
324 L A -0.1486
325 T A -0.7218
326 E A -0.5018
327 D A -1.0730
328 S A 0.0000
329 M A 0.0000
330 W A -0.6165
331 N A -1.0617
332 F A 0.0000
333 H A 0.0000
334 V A 0.0000
335 W A 0.0000
336 N A 0.0000
337 E A 0.0000
338 S A 0.0000
339 W A 0.1190
340 F A 0.0000
341 A A -1.0526
342 R A 0.0000
343 Q A -2.2951
344 D A -2.2133
345 L A -1.3057
346 G A -1.0405
347 P A -1.0684
348 S A -0.8264
349 Y A -1.0001
350 N A -1.4720
351 G A 0.0000
352 W A 0.0100
353 Q A 0.0000
354 V A 0.0000
355 L A 0.0000
356 D A 0.0000
357 A A 0.0000
358 T A 0.0000
359 P A -1.0725
360 Q A -1.5038
361 E A -2.2818
362 E A -2.8376
363 S A -2.0500
364 E A -2.4540
365 G A -1.0633
366 V A 0.4196
367 F A 0.0000
368 R A -1.0436
369 C A 0.0000
370 G A 0.0000
371 P A 0.0000
372 A A 0.0000
373 S A 0.0000
374 V A 0.0000
375 T A -0.4370
376 A A 0.0000
377 I A 0.0000
378 R A -1.1000
379 E A -1.3942
380 G A 0.0000
381 D A -0.9181
382 V A 0.0000
383 H A -1.1491
384 L A -0.5421
385 A A -0.6518
386 H A -0.6459
387 D A -0.8372
388 G A 0.0000
389 P A -0.2792
390 F A -0.0466
391 V A 0.0000
392 F A -0.0810
393 A A 0.0000
394 E A -0.2543
395 V A 0.0000
396 N A -0.4737
397 A A -0.4082
398 D A -0.2644
399 Y A 0.0000
400 I A 0.3091
401 T A -0.0467
402 W A -0.5360
403 L A -0.6156
404 W A -1.9536
405 H A -2.1924
406 E A -3.5150
407 D A -3.7730
408 E A -3.6723
409 S A -3.5488
410 R A -4.2150
411 E A -3.6210
412 R A -2.1888
413 V A -0.1646
414 Y A 0.7813
415 S A -0.4031
416 N A -1.6807
417 T A 0.0000
418 K A -1.4280
419 K A -1.4880
420 I A 0.0000
421 G A 0.0000
422 R A -0.9077
423 C A -0.6069
424 I A 0.0000
425 S A 0.0000
426 T A 0.0000
427 K A -0.8580
428 A A -0.7541
429 V A -0.7920
430 G A -1.3252
431 S A -1.2064
432 D A -2.1159
433 S A -1.5212
434 R A -1.2842
435 V A -0.5818
436 D A -1.5008
437 I A 0.0000
438 T A -1.1872
439 D A -1.9828
440 L A -0.7807
441 Y A 0.0000
442 K A -1.5835
443 Y A -2.3163
444 P A -2.3404
445 E A -2.9262
446 G A -2.4372
447 S A -2.9319
448 R A -3.9244
449 K A -3.9162
450 E A -3.7297
451 R A -4.0559
452 Q A -3.2716
453 V A 0.0000
454 Y A -1.7277
455 S A -1.7867
456 K A -1.3857
457 A A 0.0000
458 V A 0.0000
459 N A -1.2992
460 R A -1.1164
461 L A -0.3185
462 F A -0.5787
463 G A -1.0602
464 V A -1.2198
465 E A -2.0604
466 A A -1.0382
467 S A -1.0315
468 G A -0.7293
469 R A 0.0000
470 R A -0.9647
471 I A 0.0000
472 W A 0.0000
473 I A 0.0000
474 R A -0.6628
475 R A 0.0000
476 A A -0.5513
477 G A -1.2622
478 G A -1.6791
479 R A -2.0430
480 C A -1.2297
481 L A -1.4287
482 W A -1.0531
483 R A -1.9764
484 D A -1.6294
485 D A -1.6385
486 L A 0.3640
487 L A 0.7329
488 E A -1.2220
489 P A -0.8210
490 A A -0.9530
491 T A -1.3325
492 K A -1.9913
493 P A -1.2048
494 S A 0.0000
495 I A -1.0694
496 A A -0.9550
497 G A -1.0149
498 K A -1.0653
499 F A -0.4157
500 K A -1.1445
501 V A 0.0904
502 L A 0.9289
503 E A -0.6419
504 P A -0.5345
505 P A 0.0000
506 M A -0.6331
507 L A -0.7616
508 G A 0.0000
509 H A -1.2247
510 D A -2.4796
511 L A 0.0000
512 R A -2.4911
513 L A 0.0000
514 A A 0.0000
515 L A 0.0000
516 C A 0.0000
517 W A 0.0000 mutated: LA517W
518 A A 0.0000
519 N A 0.0000
520 L A -0.7907
521 T A 0.0000
522 S A -1.3150
523 R A -1.4804
524 A A -1.5938
525 Q A 0.0000
526 R A -2.8781
527 V A 0.0000
528 R A -1.9147
529 V A 0.0000
530 N A 0.0000
531 L A 0.0000
532 S A 0.0000
533 G A -0.2507
534 A A 0.0000
535 T A 0.0000
536 I A 0.0000
537 L A -0.7313
538 Y A 0.0748
539 T A -0.7295
540 R A -2.1296
541 K A -2.3044
542 P A -1.3572
543 V A -0.7350
544 A A -1.0787
545 E A -1.3369
546 I A 0.3050
547 L A 0.8482
548 H A -0.3201
549 E A -1.3652
550 S A -1.5122
551 H A -1.9742
552 A A -1.7893
553 V A 0.0000
554 R A -2.8701
555 L A 0.0000
556 G A -1.7593
557 P A -1.5841
558 Q A -1.9184
559 E A -2.0379
560 E A -1.5556
561 K A -1.4684
562 R A -0.8762
563 I A -0.3735
564 P A -0.8948
565 I A 0.0000
566 T A -1.3110
567 I A 0.0000
568 S A -1.9194
569 Y A 0.0000
570 S A -1.8057
571 K A -2.8716
572 Y A 0.0000
573 K A -2.6102
574 E A -3.0852
575 D A -2.6632
576 L A -1.7099
577 T A -1.3087
578 E A -2.2582
579 D A -1.1196
580 K A -1.1872
581 K A -0.9452
582 I A 0.0000
583 L A -0.8148
584 L A 0.0000
585 A A 0.0000
586 A A 0.0000
587 M A 0.0000
588 C A 0.0000
589 L A 0.0000
590 V A 0.0000
591 T A -0.6765
592 K A -0.4235
593 G A 0.0000
594 E A 0.0000
595 K A 0.0000
596 L A 0.0000
597 L A 0.0000
598 V A 0.0000
599 E A -0.7918
600 K A 0.0000
601 D A -1.2276
602 I A 0.0000
603 T A -0.8546
604 L A 0.0000
605 E A -0.6009
606 D A 0.3001
607 F A 1.6005
608 I A 1.1322
609 T A 0.5724
610 I A 0.0021
611 K A -1.3538
612 V A -0.1363
613 L A -0.3760
614 G A -0.0577
615 P A 0.4628
616 A A 0.8392
617 M A 1.4706
618 V A 1.6673
619 G A 1.2816
620 V A 2.0569
621 A A 0.4828
622 V A 0.0000
623 T A -1.1055
624 V A 0.0000
625 E A -1.3868
626 V A 0.0000
627 T A 0.0000
628 V A 0.0000
629 V A -0.6389
630 N A 0.0000
631 P A 0.0000
632 L A 0.0000
633 I A 0.5649
634 E A -1.1885
635 R A -3.0925
636 V A -2.5756
637 K A -3.3028
638 D A -2.9499
639 C A 0.0000
640 A A -1.1446
641 L A 0.0000
642 M A -1.1245
643 V A 0.0000
644 E A -2.8042
645 G A 0.0000
646 S A -1.6054
647 G A -1.3046
648 L A 0.0000
649 L A 0.0000
650 Q A -2.6812
651 E A -3.2907
652 Q A -2.7751
653 L A -1.4839
654 S A -0.9542
655 I A -0.4265
656 D A -1.7568
657 V A -1.2077
658 P A -1.2655
659 T A -1.4910
660 L A -2.4823
661 E A -3.2841
662 P A -2.0617
663 Q A -2.5619
664 E A -3.7503
665 R A -2.8420
666 A A -1.3681
667 S A -0.9410
668 V A -0.6007
669 Q A -1.5632
670 F A -1.0980
671 D A -1.8926
672 I A 0.0000
673 T A -0.2418
674 P A 0.0000
675 S A -0.2494
676 K A -1.4842
677 S A -0.6538
678 G A -0.4588
679 P A -0.5709
680 R A -0.7681
681 Q A -0.0579
682 L A 0.0000
683 Q A -1.0222
684 V A 0.0000
685 D A -2.2796
686 L A 0.0000
687 V A -1.4237
688 S A -1.6146
689 P A -1.5395
690 H A -2.1791
691 F A 0.0000
692 P A -1.8699
693 D A -2.7709
694 I A 0.0000
695 K A -1.9961
696 G A -0.0670
697 F A 1.3802
698 V A 1.5229
699 I A 1.8999
700 V A 0.0000
701 H A -0.0032

 

Laboratory of Theory of Biopolymers 2015