Project name: R111C [mutate: RA111C]

Status: done

submitted: 2018-10-25 13:07:40, status changed: 2018-10-25 13:40:52
Settings
Chain sequence(s) A: MAGIRVTKVDWQRSRNGAAHHTQEYPCPELVVRRGQSFSLTLELSRALDCEEILIFTMETGPRASEALHTKAVFQTSELERGEGWTAAREAQMEKTLTVSLASPPSAVIGRYLLSIRLSSHRKHSNRRLGEFVLLFNPWCAEDDVFLASEEERQEYVLSDSGIIFRGVEKHIRAQGWNYGQFEEDILNICLSILDRSPGHQNNPATDVSCRHNPIYVTRVISAMVNSNNDRGVVQGQWQGKYGGGTSPLHWRGSVAILQKWLKGRYKPVKYGQCWVFAGVLCTVLRCLGIATRVVSNFNSAHDTDQNLSVDKYVDSFGRTLEDLTEDSMWNFHVWNESWFARQDLGPSYNGWQVLDATPQEESEGVFRCGPASVTAIREGDVHLAHDGPFVFAEVNADYITWLWHEDESRERVYSNTKKIGRCISTKAVGSDSRVDITDLYKYPEGSRKERQVYSKAVNRLFGVEASGRRIWIRRAGGRCLWRDDLLEPATKPSIAGKFKVLEPPMLGHDLRLALCLANLTSRAQRVRVNLSGATILYTRKPVAEILHESHAVRLGPQEEKRIPITISYSKYKEDLTEDKKILLAAMCLVTKGEKLLVEKDITLEDFITIKVLGPAMVGVAVTVEVTVVNPLIERVKDCALMVEGSGLLQEQLSIDVPTLEPQERASVQFDITPSKSGPRQLQVDLVSPHFPDIKGFVIVH
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA111C
Energy difference between WT (input) and mutated protein (by FoldX) 1.08431 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
-4.2135
Maximal score value
2.0569
Average score
-0.9327
Total score value
-653.8032

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 -1.2903
10 D A -1.9122
11 W A -1.8780
12 Q A -1.9850
13 R A -2.6121
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 -2.0092
25 Y A -1.8016
26 P A 0.0000
27 C A -0.8416
28 P A -1.0313
29 E A -2.2338
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 -0.3256
58 M A 0.0000
59 E A -1.7114
60 T A 0.0000
61 G A -1.2371
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 -1.8320
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 C A -0.1032 mutated: RA111C
112 Y A 0.0000
113 L A -1.0852
114 L A 0.0000
115 S A -1.6053
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 -2.3854
128 R A -2.7378
129 L A -1.8159
130 G A -1.7544
131 E A -2.2341
132 F A 0.0000
133 V A -0.3579
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 -1.7791
183 E A -2.8766
184 E A -3.1512
185 D A -2.4191
186 I A 0.0000
187 L A 0.0000
188 N A -1.6404
189 I A 0.0000
190 C A 0.0000
191 L A -0.5138
192 S A -0.7654
193 I A 0.0000
194 L A 0.0000
195 D A -1.5597
196 R A -1.8144
197 S A 0.0000
198 P A -1.3350
199 G A -1.2726
200 H A -2.0485
201 Q A -2.6164
202 N A -2.4676
203 N A -2.3753
204 P A -2.0010
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 0.0151
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 -1.2787
227 S A -1.6740
228 N A -2.6651
229 N A -2.7750
230 D A -3.4206
231 R A -3.0305
232 G A 0.0000
233 V A 0.0000
234 V A 0.0000
235 Q A -1.8574
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 -1.0515
256 A A -0.6679
257 I A 0.0000
258 L A 0.0000
259 Q A -1.6444
260 K A -2.5823
261 W A 0.0000
262 L A -2.1872
263 K A -3.0040
264 G A -2.7068
265 R A -3.0772
266 Y A -2.6778
267 K A -3.5764
268 P A -2.3644
269 V A -1.3887
270 K A -1.8491
271 Y A -1.1733
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 -1.4035
302 H A -2.1607
303 D A -3.0120
304 T A -2.6476
305 D A -2.9423
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 -0.9406
313 Y A -0.2198
314 V A 0.3888
315 D A -1.6362
316 S A -1.1991
317 F A 0.0068
318 G A -1.4708
319 R A -2.2532
320 T A -1.6872
321 L A -0.9384
322 E A -2.3106
323 D A -2.2023
324 L A -0.1525
325 T A -0.7308
326 E A -0.5183
327 D A -1.1024
328 S A 0.0000
329 M A 0.0000
330 W A -0.6203
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 -1.0884
360 Q A -1.5313
361 E A -2.3058
362 E A -2.8470
363 S A -2.0438
364 E A -2.4530
365 G A -1.0659
366 V A 0.4181
367 F A 0.0000
368 R A -1.0557
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 -0.6454
387 D A -0.8356
388 G A 0.0000
389 P A -0.2733
390 F A -0.0379
391 V A 0.0000
392 F A -0.0772
393 A A 0.0000
394 E A -0.2552
395 V A 0.0000
396 N A -0.4737
397 A A -0.4082
398 D A -0.2638
399 Y A 0.0000
400 I A 0.3113
401 T A -0.0456
402 W A -0.5355
403 L A -0.6153
404 W A -1.9531
405 H A -2.1920
406 E A -3.5142
407 D A -3.7719
408 E A -3.6707
409 S A -3.5456
410 R A -4.2135
411 E A -3.6201
412 R A -2.1879
413 V A -0.1640
414 Y A 0.7822
415 S A -0.4027
416 N A -1.6810
417 T A 0.0000
418 K A -1.4288
419 K A -1.4885
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 -0.9645
471 I A 0.0000
472 W A 0.0000
473 I A 0.0000
474 R A -0.6634
475 R A 0.0000
476 A A -0.5513
477 G A -1.2628
478 G A -1.6791
479 R A -2.0434
480 C A -1.2301
481 L A -1.4294
482 W A -1.0536
483 R A -1.9768
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 -0.5349
505 P A 0.0000
506 M A -0.6342
507 L A -0.7582
508 G A 0.0000
509 H A -1.2250
510 D A -2.4813
511 L A 0.0000
512 R A -2.4917
513 L A 0.0000
514 A A 0.0000
515 L A 0.0000
516 C A 0.0000
517 L A 0.0000
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 -1.9177
529 V A 0.0000
530 N A 0.0000
531 L A 0.0000
532 S A 0.0000
533 G A -0.2580
534 A A 0.0000
535 T A 0.0000
536 I A 0.0000
537 L A -0.7316
538 Y A 0.0749
539 T A -0.7295
540 R A -2.1298
541 K A -2.3047
542 P A -1.3581
543 V A -0.7521
544 A A -1.1015
545 E A -1.3594
546 I A 0.2806
547 L A 0.8247
548 H A -0.3318
549 E A -1.3808
550 S A -1.5195
551 H A -1.9782
552 A A -1.7914
553 V A 0.0000
554 R A -2.8706
555 L A 0.0000
556 G A -1.7597
557 P A -1.5841
558 Q A -1.9184
559 E A -2.0386
560 E A -1.5578
561 K A -1.4732
562 R A -0.8806
563 I A -0.3800
564 P A -0.8971
565 I A 0.0000
566 T A -1.3103
567 I A 0.0000
568 S A -1.9152
569 Y A 0.0000
570 S A -1.8029
571 K A -2.8764
572 Y A 0.0000
573 K A -2.5973
574 E A -3.1021
575 D A -2.7216
576 L A -1.7332
577 T A -1.3202
578 E A -2.2650
579 D A -1.1196
580 K A -1.1838
581 K A -0.9452
582 I A 0.0000
583 L A -0.8149
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 -0.6751
592 K A -0.4214
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 1.1357
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 0.5880
634 E A -1.1396
635 R A -3.0686
636 V A -2.5645
637 K A -3.2977
638 D A -2.9503
639 C A 0.0000
640 A A -1.1411
641 L A 0.0000
642 M A -1.0922
643 V A 0.0000
644 E A -2.7684
645 G A 0.0000
646 S A -1.6016
647 G A -1.3026
648 L A 0.0000
649 L A 0.0000
650 Q A -2.6701
651 E A -3.2687
652 Q A -2.7364
653 L A -1.4123
654 S A -0.9161
655 I A -0.4104
656 D A -1.7570
657 V A -1.2077
658 P A -1.2655
659 T A -1.4910
660 L A -2.4762
661 E A -3.2730
662 P A -2.0447
663 Q A -2.5550
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 -1.0858
671 D A -1.8842
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 -0.5703
680 R A -0.7668
681 Q A -0.0532
682 L A 0.0000
683 Q A -1.0104
684 V A 0.0000
685 D A -2.2493
686 L A 0.0000
687 V A -1.4191
688 S A -1.6157
689 P A -1.5400
690 H A -2.1694
691 F A 0.0000
692 P A -1.8669
693 D A -2.7637
694 I A 0.0000
695 K A -1.9852
696 G A -0.0601
697 F A 1.3862
698 V A 1.5237
699 I A 1.9009
700 V A 0.0000
701 H A -0.0029

 

Laboratory of Theory of Biopolymers 2015