Project name: MEV_150_197_10A [mutate: AA150C, GA197C]

Status: done

submitted: 2020-06-16 13:32:37, status changed: 2020-06-19 10:26:12
Settings
Chain sequence(s) A: NGTPQNITDLCAEYHNTQIHTLNDKIFSYTESLAGKREMAIITFKNGATFQVEVPGSQHIDSQKKAIERMKDTLRIAYLTEAKVEKLCVWNNKTPHAIAAISMANEAAAKKKEALAYECEARKLWEEAEKYWDEYSKYNYKGIEYLAEAARLFDEGMECEGPGPGGYLTAWAGPKLEKDIPYNLKSEAQGATGPGPGGSLNTCWSFSGMSTLEAYLKLKGYGTGPGPGLTGAQVISEELGYDLKEADLSMLGRASSVKVTKGPGPGVEEGIVAGGGTAFVSVIPAIGTLGPGPGKSMEKLSSGVRIKRAADDAAGLAISEGPGPGDVASEMVNLSKMNILVQASQSMLAQANQQPQGVLAAYSVTSGYAHYSTYFNKDETAYAAYMQFDRGFVSAYMVTDVDKMEAAAKGVFKGPDGFEYFAPANTQNNNIEGQAIVYQSKFLTLNGKKYYFDNDSKAVTGVFKGPNGFEYFAPANTDANNIEGQAILYQNEFLTLNGKKYYFGSDSKAVTGVFKGPNGFEYFAPANTHNNNIEGQAILYQNKFLTLNGKKYYFGSDSKAVTGVFKGSNGFEYFAPANTDANNIEGQAIRYQNRFLHLLGKIYYFGNNSKAVTEAAAKGVFSTEDGFKYFAPANTLDENLEGEAIDFTGKLIIDENIYYFDDNYRGAVGVFNTEDGFKYFAHHNEDLGNEEGEEISYSGILNFNNKIYYFDDSFTAVVGVFDTSDGYKYFAPANTVNDNIYGQAVEYSGLVRVGEDVYYFGETYTIETGWIGVFNTPDGFKYFAHQNTLDENFEGESINYTGWLDLDEKRYYFTDEYIAATHHHHHH
Distance of aggregation 10 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
-4.2819
Maximal score value
2.1941
Average score
-0.6329
Total score value
-523.3965

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 -1.5290
2 G A -1.4111
3 T A -1.0623
4 P A -1.4777
5 Q A -1.9048
6 N A -1.8062
7 I A 0.0000
8 T A -1.0455
9 D A -1.3543
10 L A -0.5070
11 C A 0.0000
12 A A -1.0859
13 E A -1.7837
14 Y A -0.8930
15 H A -1.9448
16 N A -2.3835
17 T A -1.6892
18 Q A -1.1009
19 I A -0.1512
20 H A -0.6254
21 T A -0.9436
22 L A -1.8846
23 N A -2.6410
24 D A -2.4825
25 K A -1.8687
26 I A 0.0000
27 F A 0.8933
28 S A 0.7582
29 Y A 0.6187
30 T A -0.2688
31 E A -0.9265
32 S A -0.9336
33 L A -0.7186
34 A A -1.1266
35 G A -1.7992
36 K A -2.7895
37 R A -2.8995
38 E A -1.6008
39 M A -0.9719
40 A A 0.0000
41 I A 0.0359
42 I A 0.0000
43 T A -0.1219
44 F A 0.0000
45 K A -2.0199
46 N A -2.0523
47 G A -1.3843
48 A A -1.0457
49 T A -0.5379
50 F A 0.0000
51 Q A -0.2092
52 V A 0.0000
53 E A -0.7308
54 V A -1.0345
55 P A -1.2379
56 G A -1.0174
57 S A -0.9068
58 Q A -1.3824
59 H A -0.9024
60 I A 0.0890
61 D A -1.9210
62 S A -1.8551
63 Q A -1.8593
64 K A -2.0904
65 K A -1.9456
66 A A 0.0000
67 I A 0.0000
68 E A -0.9491
69 R A -0.8198
70 M A 0.0000
71 K A 0.0000
72 D A -0.4085
73 T A 0.0000
74 L A 0.0000
75 R A -0.1038
76 I A 0.2924
77 A A 0.0000
78 Y A 0.3831
79 L A 0.6653
80 T A -0.4661
81 E A -1.3054
82 A A -1.6583
83 K A -3.0233
84 V A 0.0000
85 E A -2.6627
86 K A -1.4244
87 L A 0.0000
88 C A 0.0000
89 V A 0.0000
90 W A -1.3029
91 N A -2.4082
92 N A -2.5065
93 K A -2.0163
94 T A -1.0786
95 P A -0.7729
96 H A -1.0611
97 A A 0.0000
98 I A 0.0000
99 A A -0.0250
100 A A 0.0000
101 I A 0.0000
102 S A 0.0000
103 M A -0.9835
104 A A -0.9289
105 N A -1.8076
106 E A -1.3263
107 A A -1.0111
108 A A -1.1942
109 A A -1.8146
110 K A -2.5496
111 K A -2.4417
112 K A -1.9888
113 E A 0.0000
114 A A -0.7544
115 L A -0.5561
116 A A 0.0000
117 Y A -0.8212
118 E A -2.1892
119 C A -1.1477
120 E A -1.8980
121 A A 0.0000
122 R A -3.2251
123 K A -3.3413
124 L A -2.7045
125 W A -2.4768
126 E A -3.7040
127 E A -3.3958
128 A A 0.0000
129 E A -2.7986
130 K A -3.2712
131 Y A -1.5309
132 W A -1.6279
133 D A -2.4644
134 E A -1.8612
135 Y A -0.8494
136 S A -1.1369
137 K A -1.4696
138 Y A -0.0846
139 N A -0.5710
140 Y A -0.0323
141 K A -1.1368
142 G A 0.0000
143 I A -0.2044
144 E A -0.7684
145 Y A -0.1777
146 L A -0.8624
147 A A -0.3080
148 E A -0.1680
149 A A 0.0000
150 C A -0.8029 mutated: AA150C
151 R A -0.6521
152 L A 0.0000
153 F A -1.1383
154 D A -2.1580
155 E A -0.9640
156 G A -0.7507
157 M A -0.5480
158 E A -1.1264
159 C A -0.8611
160 E A -1.9292
161 G A -1.2935
162 P A -0.7902
163 G A 0.0000
164 P A 0.1784
165 G A -0.1240
166 G A -0.0331
167 Y A -0.1721
168 L A -0.0641
169 T A -0.2801
170 A A -0.3354
171 W A 0.1240
172 A A -0.3880
173 G A 0.0000
174 P A -1.0441
175 K A -1.9427
176 L A -0.7965
177 E A 0.0000
178 K A -1.8377
179 D A -2.1593
180 I A -0.5674
181 P A 0.0000
182 Y A -0.5787
183 N A -1.4143
184 L A -0.6802
185 K A 0.0000
186 S A -1.3271
187 E A -2.2745
188 A A -1.6919
189 Q A -1.7877
190 G A -1.4899
191 A A -1.0189
192 T A -1.0417
193 G A -0.8461
194 P A -0.8308
195 G A -0.5559
196 P A -0.3197
197 C A -0.6785 mutated: GA197C
198 G A -0.8491
199 S A 0.0000
200 L A -0.6748
201 N A -0.6425
202 T A -0.6196
203 C A 0.0000
204 W A 0.2037
205 S A 0.0000
206 F A 0.4440
207 S A 0.0115
208 G A 0.0000
209 M A 0.2057
210 S A 0.0418
211 T A 0.0000
212 L A 0.1449
213 E A 0.0000
214 A A 0.0000
215 Y A 0.0000
216 L A 0.0000
217 K A -0.9123
218 L A 0.0000
219 K A -1.6246
220 G A -0.9463
221 Y A -0.3791
222 G A -0.6741
223 T A -0.4267
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 -0.4464
231 G A -0.6352
232 A A -0.8424
233 Q A -1.1549
234 V A -0.5626
235 I A 0.0000
236 S A 0.1443
237 E A 0.0000
238 E A -0.9969
239 L A 0.0000
240 G A -1.1998
241 Y A -0.6541
242 D A -2.0241
243 L A -1.3860
244 K A -2.6927
245 E A -2.2468
246 A A -1.5312
247 D A -1.5069
248 L A 0.0113
249 S A 0.2056
250 M A 0.6539
251 L A 0.0770
252 G A -0.6366
253 R A -1.6798
254 A A -0.7524
255 S A -0.3361
256 S A -0.1548
257 V A 0.0000
258 K A -0.7028
259 V A 0.0000
260 T A -0.3011
261 K A 0.0000
262 G A 0.0000
263 P A -0.6067
264 G A -0.5284
265 P A -0.3164
266 G A 0.0000
267 V A 0.0000
268 E A -0.4610
269 E A -0.4538
270 G A 0.0000
271 I A 0.4621
272 V A 0.4974
273 A A 0.3314
274 G A -0.3006
275 G A -0.7388
276 G A -0.6468
277 T A 0.0000
278 A A 0.0000
279 F A 0.0000
280 V A 0.0162
281 S A 0.0000
282 V A 0.0000
283 I A 0.8159
284 P A 0.4730
285 A A 1.0327
286 I A 1.9709
287 G A 0.8953
288 T A 0.5014
289 L A 0.0000
290 G A 0.0000
291 P A 0.0000
292 G A 0.0000
293 P A -0.6870
294 G A 0.0000
295 K A -1.2351
296 S A 0.0000
297 M A -1.3181
298 E A -2.3410
299 K A -1.9605
300 L A 0.0000
301 S A -1.3314
302 S A -1.2348
303 G A -1.1469
304 V A -1.5522
305 R A -1.8375
306 I A -0.2861
307 K A -2.2052
308 R A -2.6093
309 A A -1.3713
310 A A -1.9040
311 D A -2.7067
312 D A -2.5149
313 A A -0.9173
314 A A -0.1077
315 G A -0.0308
316 L A 0.7734
317 A A 0.1025
318 I A 0.0000
319 S A -1.0361
320 E A -1.7434
321 G A -1.2429
322 P A -1.3283
323 G A -1.7060
324 P A -1.6078
325 G A -1.7154
326 D A -2.1371
327 V A 0.0000
328 A A -0.8465
329 S A -0.7971
330 E A -0.8574
331 M A 0.0000
332 V A 0.4951
333 N A 0.3117
334 L A 1.3710
335 S A 0.2372
336 K A -0.2059
337 M A 0.5965
338 N A -0.5213
339 I A 0.3768
340 L A 1.0954
341 V A 0.7329
342 Q A -0.5800
343 A A -0.9905
344 S A 0.0000
345 Q A -1.2491
346 S A -0.3511
347 M A 0.0820
348 L A 0.2264
349 A A 0.0000
350 Q A -0.1303
351 A A -0.2171
352 N A 0.0000
353 Q A -1.0153
354 Q A 0.0000
355 P A -0.6343
356 Q A -0.8536
357 G A -0.1044
358 V A 0.0161
359 L A 0.0000
360 A A 0.0000
361 A A 0.1924
362 Y A 0.5419
363 S A 0.5688
364 V A 0.6030
365 T A 0.2120
366 S A 0.0441
367 G A 0.0296
368 Y A 0.6744
369 A A 0.3410
370 H A -0.1364
371 Y A -0.1181
372 S A 0.0000
373 T A -0.1852
374 Y A 0.0000
375 F A 0.4276
376 N A 0.0000
377 K A -1.0028
378 D A -1.7249
379 E A -2.3559
380 T A 0.0000
381 A A 0.0000
382 Y A 1.0078
383 A A 0.0000
384 A A 0.2727
385 Y A 0.0000
386 M A 0.0000
387 Q A -0.8450
388 F A -0.7507
389 D A -1.3532
390 R A -1.9404
391 G A -0.9093
392 F A 0.5897
393 V A 0.0000
394 S A 0.5189
395 A A 1.2519
396 Y A 2.1941
397 M A 2.1764
398 V A 1.9334
399 T A 0.7969
400 D A -0.5488
401 V A 0.0000
402 D A 0.0000
403 K A -1.1351
404 M A -1.1333
405 E A -1.7147
406 A A 0.0000
407 A A 0.0187
408 A A -0.1963
409 K A -0.5412
410 G A 0.0000
411 V A 0.9248
412 F A 0.4863
413 K A -1.1283
414 G A 0.0000
415 P A -1.1168
416 D A -1.8217
417 G A -0.8827
418 F A 0.1185
419 E A -0.8075
420 Y A 1.0190
421 F A 1.9357
422 A A 0.7550
423 P A -0.4154
424 A A 0.0000
425 N A -2.0857
426 T A -1.4333
427 Q A -1.2185
428 N A -0.9158
429 N A -0.4432
430 N A -0.1857
431 I A -0.4626
432 E A -0.3794
433 G A 0.0000
434 Q A 0.2040
435 A A 0.0000
436 I A 1.9545
437 V A 1.9502
438 Y A 1.2947
439 Q A -0.3606
440 S A -0.8272
441 K A -1.3221
442 F A 0.6689
443 L A 0.7709
444 T A 0.1870
445 L A -0.5910
446 N A -1.7249
447 G A 0.0000
448 K A -1.2943
449 K A 0.0000
450 Y A -0.2857
451 Y A -0.7175
452 F A 0.0000
453 D A -2.5865
454 N A -2.9053
455 D A -2.8313
456 S A -1.8429
457 K A -2.0239
458 A A -0.7574
459 V A 0.4279
460 T A 0.0000
461 G A 0.0000
462 V A 0.0000
463 F A 0.1229
464 K A -1.5573
465 G A -1.3519
466 P A -1.4119
467 N A -1.9027
468 G A -1.3591
469 F A -0.9325
470 E A -0.8263
471 Y A 0.0753
472 F A 0.0000
473 A A -0.0636
474 P A 0.0149
475 A A -0.1794
476 N A -1.0398
477 T A -0.5482
478 D A -1.6868
479 A A -1.3059
480 N A -1.2762
481 N A -2.2430
482 I A 0.0000
483 E A -3.1223
484 G A 0.0000
485 Q A -1.4994
486 A A 0.0000
487 I A 0.0000
488 L A 0.3189
489 Y A 0.0000
490 Q A 0.0000
491 N A 0.0000
492 E A -0.2447
493 F A 1.1685
494 L A 1.1164
495 T A 0.3576
496 L A 0.0656
497 N A -0.8968
498 G A -0.0572
499 K A -0.0834
500 K A 0.0189
501 Y A 0.2186
502 Y A 0.0000
503 F A 0.1587
504 G A 0.0000
505 S A 0.1141
506 D A 0.0000
507 S A -0.4645
508 K A -1.0935
509 A A -0.2319
510 V A -0.0527
511 T A -0.2035
512 G A -0.2458
513 V A 0.3712
514 F A 0.0000
515 K A -0.6791
516 G A 0.0000
517 P A 0.0000
518 N A 0.0000
519 G A 0.0000
520 F A 0.6974
521 E A 0.0000
522 Y A 0.8700
523 F A 1.6051
524 A A 0.7053
525 P A -0.1199
526 A A -0.5893
527 N A 0.0000
528 T A -0.3510
529 H A -1.5447
530 N A -1.6485
531 N A 0.0000
532 N A -2.2505
533 I A -1.6800
534 E A -2.2071
535 G A -1.4081
536 Q A -1.6304
537 A A 0.0000
538 I A 0.8701
539 L A 0.0000
540 Y A 1.0079
541 Q A 0.3221
542 N A -0.2014
543 K A -0.0973
544 F A 0.0000
545 L A 0.4861
546 T A -0.2126
547 L A -0.4104
548 N A -1.6145
549 G A -1.9045
550 K A -2.4674
551 K A -1.5710
552 Y A -0.2795
553 Y A 0.0486
554 F A -0.2996
555 G A -1.1592
556 S A -1.6533
557 D A -2.4079
558 S A -2.0195
559 K A -2.0569
560 A A -0.8379
561 V A 0.1955
562 T A 0.0438
563 G A 0.4658
564 V A 0.8505
565 F A 0.1883
566 K A -1.4590
567 G A -1.5674
568 S A -1.4487
569 N A -1.4524
570 G A -0.7846
571 F A -0.3148
572 E A -0.6429
573 Y A -0.0859
574 F A 0.0000
575 A A 0.0000
576 P A -0.6232
577 A A -1.0323
578 N A -1.8621
579 T A 0.0000
580 D A -2.3534
581 A A -1.6558
582 N A -2.2581
583 N A -1.6723
584 I A 0.3168
585 E A -1.1207
586 G A -0.8848
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 -0.6576
594 R A -1.3186
595 F A 0.2177
596 L A 0.0000
597 H A -0.5093
598 L A 0.0000
599 L A 1.0828
600 G A -0.4326
601 K A -0.7500
602 I A 1.0085
603 Y A 1.1753
604 Y A 1.1430
605 F A 0.0000
606 G A -1.2097
607 N A -1.0918
608 N A -0.9405
609 S A 0.0000
610 K A 0.0000
611 A A 0.2872
612 V A 1.1519
613 T A -0.1812
614 E A -1.7467
615 A A 0.0000
616 A A 0.0000
617 A A -1.3673
618 K A -1.2787
619 G A -0.7816
620 V A 0.0709
621 F A 0.4007
622 S A -1.1538
623 T A -1.6424
624 E A -2.7935
625 D A -2.8065
626 G A 0.0000
627 F A 0.0000
628 K A -0.7372
629 Y A 0.0621
630 F A -0.3386
631 A A 0.0000
632 P A -1.0388
633 A A -1.1523
634 N A -1.9379
635 T A -0.7540
636 L A -0.2418
637 D A -2.3309
638 E A -2.6559
639 N A 0.0000
640 L A -0.0968
641 E A -1.0658
642 G A -1.0228
643 E A -1.2517
644 A A -0.8225
645 I A 0.0000
646 D A -1.7097
647 F A -0.8767
648 T A -0.6924
649 G A -0.5047
650 K A -0.5148
651 L A -0.1484
652 I A -0.3907
653 I A -0.8326
654 D A -2.0519
655 E A -2.6079
656 N A -1.6989
657 I A 0.0000
658 Y A 0.0000
659 Y A -0.0028
660 F A 0.0000
661 D A -1.2179
662 D A -2.2549
663 N A -2.1170
664 Y A -1.0696
665 R A -1.3632
666 G A 0.0000
667 A A 0.0000
668 V A -0.4818
669 G A -0.1261
670 V A 0.3582
671 F A 0.2175
672 N A -1.6365
673 T A 0.0000
674 E A -2.9367
675 D A -2.9124
676 G A -1.7913
677 F A -0.1884
678 K A 0.0140
679 Y A 1.4307
680 F A 1.4593
681 A A -0.2620
682 H A -0.8079
683 H A -0.8347
684 N A 0.0000
685 E A -1.5065
686 D A 0.0000
687 L A -0.0549
688 G A 0.0000
689 N A 0.0000
690 E A -2.4036
691 E A -2.9156
692 G A -2.5635
693 E A -2.4125
694 E A 0.0000
695 I A -1.1087
696 S A 0.0000
697 Y A 0.0000
698 S A -1.0140
699 G A -0.6210
700 I A 0.2225
701 L A -0.1363
702 N A -1.5454
703 F A -1.1996
704 N A -2.0686
705 N A -2.2027
706 K A -1.5452
707 I A 0.0000
708 Y A 0.0000
709 Y A -0.0238
710 F A 0.0000
711 D A -1.2627
712 D A -2.1753
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 0.5998
719 G A 1.0281
720 V A 1.8541
721 F A 0.0000
722 D A -0.7819
723 T A -0.4887
724 S A -1.2403
725 D A -2.0667
726 G A -1.0087
727 Y A 0.6213
728 K A 0.7812
729 Y A 1.1502
730 F A 1.0444
731 A A 0.0000
732 P A 0.0000
733 A A -0.5527
734 N A -1.3418
735 T A -0.7051
736 V A 0.4617
737 N A -0.9149
738 D A -1.9157
739 N A -1.6094
740 I A 0.2454
741 Y A 0.8612
742 G A -0.2356
743 Q A -1.0974
744 A A 0.0000
745 V A 0.0000
746 E A -0.9120
747 Y A 0.0000
748 S A -0.9583
749 G A -0.3624
750 L A -0.0367
751 V A 0.0000
752 R A -2.2745
753 V A -1.3454
754 G A -1.8917
755 E A -2.8351
756 D A -2.0428
757 V A -0.9808
758 Y A 0.0000
759 Y A 0.0000
760 F A 0.0000
761 G A -0.6264
762 E A -1.5259
763 T A -0.8676
764 Y A 0.0000
765 T A -0.3885
766 I A 0.3915
767 E A -0.1484
768 T A -0.2218
769 G A 0.0000
770 W A -0.1968
771 I A 0.0000
772 G A 0.6855
773 V A 1.3255
774 F A 1.6828
775 N A 0.2247
776 T A 0.0000
777 P A -0.5288
778 D A -1.4754
779 G A -0.3889
780 F A 0.4166
781 K A -0.1852
782 Y A 0.0000
783 F A 0.0000
784 A A 0.0000
785 H A -1.5688
786 Q A -2.5706
787 N A -2.2168
788 T A -0.9711
789 L A -0.3752
790 D A -2.3427
791 E A -2.6376
792 N A -1.7756
793 F A -0.8512
794 E A -1.8293
795 G A 0.0000
796 E A -1.2157
797 S A -0.4455
798 I A 0.1190
799 N A -1.0832
800 Y A -0.1360
801 T A -0.2576
802 G A 0.4557
803 W A 0.6810
804 L A 0.0000
805 D A -3.0840
806 L A -2.7679
807 D A -3.6939
808 E A -4.2546
809 K A -4.2819
810 R A -3.3336
811 Y A -0.6412
812 Y A 0.6664
813 F A 0.0000
814 T A -0.8316
815 D A -2.4565
816 E A -2.4168
817 Y A -0.9626
818 I A -0.6028
819 A A 0.0000
820 A A -0.2759
821 T A -0.5904
822 H A -1.8555
823 H A -2.2917
824 H A -2.5838
825 H A -2.5228
826 H A -2.9600
827 H A -2.2304

 

Laboratory of Theory of Biopolymers 2015