Project name: MEV_150_197 [mutate: AA150C, GA197C]

Status: done

submitted: 2020-06-16 13:22:59, status changed: 2020-06-19 09:33:27
Settings
Chain sequence(s) A: NGTPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMANEAAAKKKEALAYECEARKLWEEAEKYWDEYSKYNYKGIEYLAEAARLFDEGMECEGPGPGGYLTAWAGPKLEKDIPYNLKSEAQGATGPGPGGSLNTCWSFSGMSTLEAYLKLKGYGTGPGPGLTGAQVISEELGYDLKEADLSMLGRASSVKVTKGPGPGVEEGIVAGGGTAFVSVIPAIGTLGPGPGKSMEKLSSGVRIKRAADDAAGLAISEGPGPGDVASEMVNLSKMNILVQASQSMLAQANQQPQGVLAAYSVTSGYAHYSTYFNKDETAYAAYMQFDRGFVSAYMVTDVDKMEAAAKGVFKGPDGFEYFAPANTQNNNIEGQAIVYQSKFLTLNGKKYYFDNDSKAVTGVFKGPNGFEYFAPANTDANNIEGQAILYQNEFLTLNGKKYYFGSDSKAVTGVFKGPNGFEYFAPANTHNNNIEGQAILYQNKFLTLNGKKYYFGSDSKAVTGVFKGSNGFEYFAPANTDANNIEGQAIRYQNRFLHLLGKIYYFGNNSKAVTEAAAKGVFSTEDGFKYFAPANTLDENLEGEAIDFTGKLIIDENIYYFDDNYRGAVGVFNTEDGFKYFAHHNEDLGNEEGEEISYSGILNFNNKIYYFDDSFTAVVGVFDTSDGYKYFAPANTVNDNIYGQAVEYSGLVRVGEDVYYFGETYTIETGWIGVFNTPDGFKYFAHQNTLDENFEGESINYTGWLDLDEKRYYFTDEYIAATHHHHHH
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues AA150C, GA197C
Energy difference between WT (input) and mutated protein (by FoldX) 0.698426 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
-2.3782
Maximal score value
2.2851
Average score
-0.259
Total score value
-214.1937

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 N A -1.3604
2 G A -0.7183
3 T A -0.1760
4 P A -0.4221
5 Q A -1.3293
6 N A -0.8224
7 I A 0.0000
8 T A -0.1729
9 D A -0.7511
10 L A 0.5219
11 C A 0.0000
12 A A -0.2743
13 E A -1.6617
14 Y A 0.2947
15 H A -1.0715
16 N A -1.4558
17 T A -0.3743
18 Q A -0.7844
19 I A 0.2759
20 H A -0.1278
21 T A -0.1076
22 L A -0.0558
23 N A -1.5206
24 D A -0.9627
25 K A -0.9402
26 I A 0.0000
27 F A 1.9306
28 S A 0.3300
29 Y A 0.1310
30 T A -0.1781
31 E A -0.8084
32 S A -0.1450
33 L A 0.2779
34 A A 0.0298
35 G A -0.7782
36 K A -2.1261
37 R A -2.2019
38 E A -0.5217
39 M A 0.0665
40 A A 0.0000
41 I A 0.3683
42 I A 0.0000
43 T A -0.0203
44 F A 0.0000
45 K A -1.9332
46 N A -1.6696
47 G A -0.6968
48 A A -0.0804
49 T A -0.0273
50 F A 0.0000
51 Q A -0.1025
52 V A 0.0000
53 E A -0.2423
54 V A 0.1905
55 P A -0.0047
56 G A -0.1211
57 S A -0.4466
58 Q A -1.2751
59 H A -0.0513
60 I A 1.5653
61 D A -1.5358
62 S A -0.6442
63 Q A -0.7839
64 K A -1.3151
65 K A -0.5613
66 A A 0.0000
67 I A 0.0000
68 E A -0.2839
69 R A -0.2296
70 M A 0.0000
71 K A 0.0000
72 D A -0.2957
73 T A 0.0000
74 L A 0.0000
75 R A -0.2438
76 I A 0.2281
77 A A 0.0000
78 Y A 0.4472
79 L A 1.1480
80 T A -0.0339
81 E A -1.2040
82 A A -0.5355
83 K A -1.8394
84 V A 0.0000
85 E A -1.7279
86 K A -0.5552
87 L A 0.0000
88 C A 0.0000
89 V A 0.0000
90 W A 0.1380
91 N A -1.0097
92 N A -1.6192
93 K A -1.2955
94 T A -0.2736
95 P A -0.1077
96 H A -0.1794
97 A A 0.0000
98 I A 0.0000
99 A A 0.0112
100 A A 0.0000
101 I A 0.0000
102 S A 0.0000
103 M A 0.4122
104 A A -0.1261
105 N A -1.3812
106 E A -0.8490
107 A A -0.0950
108 A A 0.0143
109 A A -0.1271
110 K A -1.0557
111 K A -2.0175
112 K A -1.2985
113 E A 0.0000
114 A A 0.1741
115 L A 0.9261
116 A A 0.0000
117 Y A -0.1878
118 E A -1.6828
119 C A 0.1255
120 E A -0.6247
121 A A 0.0000
122 R A -1.6520
123 K A -1.7014
124 L A -0.1538
125 W A -0.2559
126 E A -1.9602
127 E A -1.4436
128 A A 0.0000
129 E A -1.2178
130 K A -1.9082
131 Y A 0.0938
132 W A 0.1452
133 D A -1.8002
134 E A -0.7304
135 Y A 0.5062
136 S A -0.3571
137 K A -1.4854
138 Y A 0.8163
139 N A -0.5505
140 Y A 0.8202
141 K A -1.4617
142 G A 0.0000
143 I A 0.5252
144 E A -0.7660
145 Y A 0.1031
146 L A 0.1986
147 A A -0.0865
148 E A -0.2081
149 A A 0.0000
150 C A 0.1453 mutated: AA150C
151 R A -0.1404
152 L A 0.0000
153 F A 0.0483
154 D A -1.7628
155 E A -0.5696
156 G A -0.0351
157 M A 0.0877
158 E A -0.2307
159 C A -0.2501
160 E A -1.6580
161 G A -0.7689
162 P A -0.1320
163 G A 0.0000
164 P A -0.1441
165 G A -0.2892
166 G A -0.0468
167 Y A 0.2769
168 L A 0.2208
169 T A -0.0317
170 A A 0.0593
171 W A 0.3006
172 A A 0.0822
173 G A 0.0000
174 P A -0.5420
175 K A -1.6087
176 L A 0.1936
177 E A 0.0000
178 K A -0.7688
179 D A -1.6891
180 I A 0.2237
181 P A 0.0000
182 Y A 0.5093
183 N A -1.0217
184 L A 0.1204
185 K A 0.0000
186 S A -0.3933
187 E A -1.8775
188 A A -0.3953
189 Q A -0.5045
190 G A -0.7226
191 A A -0.0389
192 T A -0.1291
193 G A -0.4116
194 P A -0.2952
195 G A -0.2321
196 P A -0.0746
197 C A -0.0155 mutated: GA197C
198 G A -0.2996
199 S A 0.0000
200 L A 0.0600
201 N A -0.3457
202 T A -0.0855
203 C A 0.0000
204 W A 0.1395
205 S A 0.0000
206 F A 0.4569
207 S A -0.0358
208 G A 0.0000
209 M A 0.3262
210 S A -0.1448
211 T A 0.0000
212 L A 0.1726
213 E A 0.0000
214 A A 0.0000
215 Y A 0.0000
216 L A 0.0000
217 K A -0.2891
218 L A 0.0000
219 K A -1.2343
220 G A -0.4826
221 Y A 0.3170
222 G A -0.3819
223 T A -0.0982
224 G A 0.0000
225 P A 0.0000
226 G A 0.0000
227 P A 0.0000
228 G A 0.0000
229 L A 0.0000
230 T A -0.1265
231 G A -0.2972
232 A A -0.1231
233 Q A -0.8738
234 V A 0.0662
235 I A 0.0000
236 S A -0.0355
237 E A 0.0000
238 E A -0.2833
239 L A 0.0000
240 G A 0.0038
241 Y A 0.0403
242 D A -1.5523
243 L A 0.2608
244 K A -1.7238
245 E A -1.3327
246 A A -0.3355
247 D A -0.9435
248 L A 0.4986
249 S A 0.2415
250 M A 0.7973
251 L A 0.7022
252 G A -0.3430
253 R A -1.9482
254 A A -0.3676
255 S A -0.1820
256 S A -0.2392
257 V A 0.0000
258 K A -0.5264
259 V A 0.0000
260 T A -0.0206
261 K A 0.0000
262 G A 0.0000
263 P A -0.1703
264 G A -0.4838
265 P A -0.2619
266 G A 0.0000
267 V A 0.0000
268 E A -0.2633
269 E A -0.4470
270 G A 0.0000
271 I A 0.8746
272 V A 0.9525
273 A A 0.1226
274 G A -0.4947
275 G A -0.3116
276 G A -0.1635
277 T A 0.0000
278 A A 0.0000
279 F A 0.0000
280 V A 0.2172
281 S A 0.0000
282 V A 0.0000
283 I A 0.4431
284 P A 0.0234
285 A A 0.4153
286 I A 1.9961
287 G A 0.2302
288 T A -0.0350
289 L A 0.0000
290 G A 0.0000
291 P A 0.0000
292 G A 0.0000
293 P A -0.0277
294 G A 0.0000
295 K A -0.4144
296 S A 0.0000
297 M A -0.0871
298 E A -1.9189
299 K A -1.1705
300 L A 0.0000
301 S A -0.0538
302 S A -0.1835
303 G A -0.1641
304 V A -0.3328
305 R A -1.4452
306 I A 1.4524
307 K A -1.1697
308 R A -2.0581
309 A A -0.2703
310 A A -0.4170
311 D A -2.1069
312 D A -2.1114
313 A A -0.3039
314 A A -0.0148
315 G A -0.1205
316 L A 1.4803
317 A A 0.1229
318 I A 0.0000
319 S A -0.5483
320 E A -1.8660
321 G A -0.4023
322 P A -0.1081
323 G A -0.3701
324 P A -0.3231
325 G A -0.4273
326 D A -1.7992
327 V A 0.0000
328 A A -0.0253
329 S A -0.2579
330 E A -0.2984
331 M A 0.0000
332 V A 0.1511
333 N A -0.2275
334 L A 1.4016
335 S A -0.0981
336 K A -0.7660
337 M A 0.6466
338 N A -1.0397
339 I A 0.1801
340 L A 1.1393
341 V A 0.3265
342 Q A -1.1235
343 A A -0.1799
344 S A 0.0000
345 Q A -1.2196
346 S A -0.3176
347 M A 0.1155
348 L A 0.2093
349 A A 0.0000
350 Q A -0.1582
351 A A -0.0227
352 N A 0.0000
353 Q A -0.4565
354 Q A 0.0000
355 P A -0.2857
356 Q A -0.2334
357 G A -0.0495
358 V A 0.4005
359 L A 0.0000
360 A A 0.0000
361 A A 0.1097
362 Y A 0.2784
363 S A 0.1521
364 V A 0.7240
365 T A 0.0633
366 S A -0.2287
367 G A 0.1570
368 Y A 1.3162
369 A A 0.1964
370 H A -0.4344
371 Y A 0.3549
372 S A 0.0000
373 T A -0.0669
374 Y A 0.0000
375 F A 0.2772
376 N A 0.0000
377 K A -0.7207
378 D A -1.0079
379 E A -1.9167
380 T A 0.0000
381 A A 0.0000
382 Y A 1.1751
383 A A 0.0000
384 A A 0.0349
385 Y A 0.0000
386 M A 0.0000
387 Q A -0.4257
388 F A 0.1929
389 D A -0.6458
390 R A -2.0253
391 G A -0.5626
392 F A 1.1941
393 V A 0.0000
394 S A -0.2098
395 A A 0.2229
396 Y A 1.3722
397 M A 0.8629
398 V A 1.8238
399 T A 0.1949
400 D A -0.6778
401 V A 0.0000
402 D A 0.0000
403 K A -0.4920
404 M A -0.1982
405 E A -1.4992
406 A A 0.0000
407 A A 0.0365
408 A A -0.1770
409 K A -0.3844
410 G A 0.0000
411 V A 1.1383
412 F A 0.3767
413 K A -1.8620
414 G A 0.0000
415 P A -0.5103
416 D A -1.4916
417 G A -0.1794
418 F A 1.5463
419 E A -1.5919
420 Y A 0.6069
421 F A 2.1572
422 A A 0.3315
423 P A -0.2528
424 A A 0.0000
425 N A -1.2757
426 T A -0.3844
427 Q A -0.6315
428 N A -0.5331
429 N A -0.2588
430 N A -0.1995
431 I A 0.0742
432 E A -0.5858
433 G A 0.0000
434 Q A -0.5372
435 A A 0.0000
436 I A 2.2851
437 V A 2.0073
438 Y A 0.8215
439 Q A -1.0840
440 S A -0.7162
441 K A -1.4286
442 F A 1.4366
443 L A 1.0247
444 T A 0.1023
445 L A -0.0499
446 N A -1.2341
447 G A 0.0000
448 K A -0.7987
449 K A 0.0000
450 Y A 0.3091
451 Y A 0.5923
452 F A 0.0000
453 D A -1.9398
454 N A -1.4754
455 D A -1.9795
456 S A -0.7956
457 K A -1.3687
458 A A 0.0107
459 V A 1.3332
460 T A 0.0000
461 G A 0.0000
462 V A 0.0000
463 F A 0.9732
464 K A -1.4398
465 G A -0.5029
466 P A -0.5122
467 N A -1.3974
468 G A -0.6090
469 F A -0.1486
470 E A -0.1953
471 Y A 0.2129
472 F A 0.0000
473 A A -0.0136
474 P A -0.1208
475 A A -0.2474
476 N A -1.2725
477 T A -0.5884
478 D A -1.7850
479 A A -0.3543
480 N A -0.3218
481 N A -0.9619
482 I A 0.0000
483 E A -1.9528
484 G A 0.0000
485 Q A -0.4243
486 A A 0.0000
487 I A 0.0000
488 L A 0.2194
489 Y A 0.0000
490 Q A 0.0000
491 N A 0.0000
492 E A -0.5139
493 F A 1.1591
494 L A 0.8851
495 T A 0.1316
496 L A 0.2622
497 N A -1.1902
498 G A -0.2717
499 K A -0.4073
500 K A -0.2572
501 Y A 0.1321
502 Y A 0.0000
503 F A 0.0383
504 G A 0.0000
505 S A 0.0457
506 D A 0.0000
507 S A -0.3424
508 K A -1.1221
509 A A -0.0248
510 V A 0.5856
511 T A 0.0303
512 G A 0.0181
513 V A 0.5852
514 F A 0.0000
515 K A -1.1519
516 G A 0.0000
517 P A 0.0000
518 N A 0.0000
519 G A 0.0000
520 F A 0.2733
521 E A 0.0000
522 Y A 0.7767
523 F A 1.5556
524 A A 0.2417
525 P A -0.2486
526 A A -0.0152
527 N A 0.0000
528 T A -0.2337
529 H A -1.0227
530 N A -0.3279
531 N A 0.0000
532 N A -1.3285
533 I A -0.2541
534 E A -1.3479
535 G A -0.5434
536 Q A -1.2463
537 A A 0.0000
538 I A 1.3475
539 L A 0.0000
540 Y A 0.9557
541 Q A -0.1667
542 N A -0.6530
543 K A -0.6058
544 F A 0.0000
545 L A 0.7545
546 T A 0.2656
547 L A 0.5473
548 N A -1.2138
549 G A -1.0207
550 K A -1.9496
551 K A -1.0573
552 Y A 0.5260
553 Y A 0.3978
554 F A 0.2772
555 G A -0.4449
556 S A -0.6302
557 D A -1.8689
558 S A -0.8641
559 K A -1.7351
560 A A -0.2605
561 V A 0.1777
562 T A -0.0516
563 G A 0.0066
564 V A 0.8093
565 F A 0.7259
566 K A -1.5743
567 G A -0.8225
568 S A -0.3216
569 N A -0.1690
570 G A -0.0285
571 F A -0.0901
572 E A -0.5319
573 Y A 0.0163
574 F A 0.0000
575 A A 0.0000
576 P A -0.0497
577 A A -0.1376
578 N A -0.7351
579 T A 0.0000
580 D A -1.7787
581 A A -0.5062
582 N A -1.5059
583 N A -1.1432
584 I A 1.5199
585 E A -1.0307
586 G A -0.3851
587 Q A 0.0000
588 A A 0.0000
589 I A 0.0000
590 R A 0.0000
591 Y A 0.0000
592 Q A 0.0000
593 N A -0.7796
594 R A -1.7792
595 F A 0.4587
596 L A 0.0000
597 H A -0.1170
598 L A 0.0000
599 L A 1.4623
600 G A -0.4948
601 K A -1.5163
602 I A 1.1435
603 Y A 0.7726
604 Y A 1.3636
605 F A 0.0000
606 G A -0.2251
607 N A -0.6173
608 N A -0.4268
609 S A 0.0000
610 K A 0.0000
611 A A 0.3422
612 V A 1.7614
613 T A -0.0753
614 E A -1.8326
615 A A 0.0000
616 A A 0.0000
617 A A -0.2517
618 K A -1.4147
619 G A -0.4195
620 V A 0.4201
621 F A 1.0510
622 S A 0.0972
623 T A -0.3677
624 E A -2.1516
625 D A -2.1233
626 G A 0.0000
627 F A 0.0000
628 K A -0.2259
629 Y A 0.1301
630 F A 0.3071
631 A A 0.0000
632 P A -0.1039
633 A A -0.0606
634 N A -1.4897
635 T A 0.0081
636 L A 1.2072
637 D A -1.8437
638 E A -2.3072
639 N A 0.0000
640 L A 1.3398
641 E A -0.3093
642 G A -0.7777
643 E A -1.0839
644 A A -0.1424
645 I A 0.0000
646 D A -1.7530
647 F A -0.1463
648 T A -0.0197
649 G A -0.2054
650 K A -0.5517
651 L A 0.1704
652 I A 0.7040
653 I A 0.2697
654 D A -1.3374
655 E A -2.1415
656 N A -1.0169
657 I A 0.0000
658 Y A 0.0000
659 Y A 0.1519
660 F A 0.0000
661 D A -0.5499
662 D A -2.0613
663 N A -1.4287
664 Y A 0.6557
665 R A -0.1683
666 G A 0.0000
667 A A 0.0000
668 V A 0.4504
669 G A 0.0555
670 V A 0.5279
671 F A 0.6620
672 N A -1.1191
673 T A 0.0000
674 E A -2.1460
675 D A -2.1378
676 G A -0.2970
677 F A 0.5585
678 K A 0.0070
679 Y A 1.5092
680 F A 2.1661
681 A A 0.1867
682 H A -1.1738
683 H A -1.1751
684 N A 0.0000
685 E A -0.6190
686 D A 0.0000
687 L A 0.2228
688 G A 0.0000
689 N A 0.0000
690 E A -1.5243
691 E A -2.1250
692 G A -1.1415
693 E A -1.9077
694 E A 0.0000
695 I A 0.3899
696 S A 0.0000
697 Y A 0.0000
698 S A -0.1574
699 G A -0.1418
700 I A 0.5285
701 L A 0.2140
702 N A -1.1276
703 F A -0.0721
704 N A -1.4353
705 N A -1.5834
706 K A -0.6407
707 I A 0.0000
708 Y A 0.0000
709 Y A 0.3179
710 F A 0.0000
711 D A -1.2135
712 D A -1.9502
713 S A 0.0000
714 F A 0.0000
715 T A 0.0000
716 A A 0.0000
717 V A 0.0000
718 V A 0.2121
719 G A 0.2676
720 V A 1.5675
721 F A 0.0000
722 D A -0.8735
723 T A -0.2481
724 S A -0.5426
725 D A -1.8854
726 G A -0.3926
727 Y A 1.0598
728 K A 0.1524
729 Y A 0.7578
730 F A 0.4024
731 A A 0.0000
732 P A 0.0000
733 A A -0.2239
734 N A -1.2759
735 T A 0.0547
736 V A 1.7229
737 N A -0.2514
738 D A -2.0674
739 N A -1.4204
740 I A 1.1373
741 Y A 1.4357
742 G A -0.4452
743 Q A -1.2846
744 A A 0.0000
745 V A 0.0000
746 E A -0.3846
747 Y A 0.0000
748 S A -0.0729
749 G A -0.0130
750 L A 0.6383
751 V A 0.0000
752 R A -1.7507
753 V A -0.2118
754 G A -0.7623
755 E A -2.0669
756 D A -1.1257
757 V A 0.0976
758 Y A 0.0000
759 Y A 0.0000
760 F A 0.0000
761 G A -0.3775
762 E A -1.8411
763 T A -0.4010
764 Y A 0.0000
765 T A 0.0826
766 I A 0.7714
767 E A -0.1590
768 T A -0.1225
769 G A 0.0000
770 W A 0.2803
771 I A 0.0000
772 G A 0.1014
773 V A 1.2033
774 F A 2.0389
775 N A 0.0564
776 T A 0.0000
777 P A -0.5833
778 D A -1.8455
779 G A -0.2454
780 F A 0.2270
781 K A -0.2477
782 Y A 0.0000
783 F A 0.0000
784 A A 0.0000
785 H A -0.8657
786 Q A -1.6192
787 N A -1.1252
788 T A 0.0459
789 L A 1.2030
790 D A -1.8434
791 E A -2.2021
792 N A -0.3206
793 F A 1.1935
794 E A -1.1565
795 G A 0.0000
796 E A -0.7683
797 S A -0.0391
798 I A 0.5800
799 N A -1.0679
800 Y A 0.0096
801 T A -0.0423
802 G A 0.1023
803 W A 1.2709
804 L A 0.0000
805 D A -1.9696
806 L A -0.4826
807 D A -2.0863
808 E A -2.3782
809 K A -1.9506
810 R A -2.2646
811 Y A -0.0390
812 Y A 0.9936
813 F A 0.0000
814 T A -0.3480
815 D A -2.1238
816 E A -2.0179
817 Y A 0.4344
818 I A 0.4219
819 A A 0.0000
820 A A 0.0323
821 T A -0.2466
822 H A -1.1880
823 H A -1.3612
824 H A -1.3626
825 H A -1.3608
826 H A -1.3601
827 H A -1.1755

 

Laboratory of Theory of Biopolymers 2015