Project name: 426cTol3 [mutate: DA279A, NA280S, AA281V, KA282N, IA283T, SA363G, SA364E, GA365R, GA366S, DA367R, LA455N, RA456I, DA457G, GA458A, GA459P, EA466A, SA471E, DA474N]

Status: done

submitted: 2018-07-10 22:18:04, status changed: 2018-07-13 16:12:48
Settings
Chain sequence(s) A: EAKTTLFCASDAKAYEKECHNVWATHACVPTDPNPQEVVLEQVTENFNMWKNDMVDQMQEDVISIWDQCLKPCVKLTNTSTLTQACPKVTFDPIPIHYCAPAGYAILKCNNKTFNGKGPCNNVSTVQCTHGIKPVVSTQLLLNGSLAEEEIVIRSKNLRDNAKIIIVQLQKSVEIVCTRPNNGDIRQAYCQISGRNWSEAVNQVKKKLKEHFPHKNISFQSSSGGDLEITTHSFNCGGEFFYCNTSGLFQDTISNATIMLPCRIKQIINMWQEVGKAIYAPPIKGQITCKSDITGLLLLRDGGDTTDNTEIFRPSGGDMRDNWRSELYKYKVVEIK
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA279A, NA280S, AA281V, KA282N, IA283T, SA363G, SA364E, GA365R, GA366S, DA367R, LA455N, RA456I, DA457G, GA458A, GA459P, EA466A, SA471E, DA474N
Energy difference between WT (input) and mutated protein (by FoldX) 20.2367 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
-4.0622
Maximal score value
1.6623
Average score
-0.8475
Total score value
-284.7704

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
47 E A -2.3822
48 A A -1.7547
49 K A -2.3006
50 T A -1.1327
51 T A -0.2648
52 L A 0.0000
53 F A 1.1175
54 C A 0.0000
55 A A 0.0000
56 S A 0.0000
57 D A -1.9859
58 A A -1.0207
59 K A -1.2043
60 A A -0.3680
61 Y A 0.4492
62 E A -0.9331
63 K A -1.5615
64 E A 0.0000
65 C A 0.0000
66 H A 0.0000
67 N A 0.0000
68 V A -0.1891
69 W A -0.4431
70 A A 0.0000
71 T A -0.3819
72 H A -0.5756
73 A A 0.0382
74 C A 0.0000
75 V A 0.8950
76 P A -0.4112
77 T A -1.0171
78 D A -1.6178
79 P A -1.5990
80 N A -2.1775
81 P A -2.2504
82 Q A -2.1967
83 E A -1.1187
84 V A 1.4066
85 V A 1.6623
86 L A 0.1960
87 E A -1.7200
88 Q A -2.0231
89 V A -1.1687
90 T A -1.7026
91 E A -1.6939
92 N A -2.4354
93 F A 0.0000
94 N A -2.3579
95 M A 0.0000
96 W A 0.0000
97 K A -2.5754
98 N A -1.8766
99 D A -1.8814
100 M A 0.0000
101 V A 0.0000
102 D A -2.6433
103 Q A -1.7379
104 M A 0.0000
105 Q A -1.9806
106 E A -2.4966
107 D A -1.6099
108 V A 0.0000
109 I A -1.2856
110 S A -1.3510
111 I A 0.0000
112 W A 0.0000
113 D A -2.2659
114 Q A -1.4782
115 C A 0.0000
116 L A 0.0000
117 K A -1.3316
118 P A -0.3973
119 C A 0.1228
120 V A 0.4576
121 K A -0.0926
122 L A 0.0322
123 T A -0.6280
124 N A -1.0999
198 T A -0.7176
199 S A -0.4592
200 T A -0.1221
201 L A 0.3826
202 T A 0.1753
203 Q A -0.3207
204 A A -0.2634
205 C A -0.2956
206 P A -0.5876
207 K A -0.6854
208 V A -0.5408
209 T A -0.9256
210 F A 0.0000
211 D A -1.8383
212 P A -1.0574
213 I A -0.7890
214 P A -0.7568
215 I A 0.0000
216 H A -0.5121
217 Y A 0.0000
218 C A 0.0000
219 A A 0.0000
220 P A -0.0419
221 A A 0.0181
222 G A -0.1310
223 Y A -0.3776
224 A A -0.1868
225 I A 0.0000
226 L A 0.0000
227 K A -0.5193
228 C A 0.0000
229 N A -1.4531
230 N A -2.6146
231 K A -3.3716
232 T A -2.3098
233 F A 0.0000
234 N A -2.2047
235 G A 0.0000
236 K A -3.0225
237 G A -1.8719
238 P A -1.9907
239 C A 0.0000
240 N A -2.6792
241 N A -2.4748
242 V A 0.0000
243 S A 0.0000
244 T A 0.3599
245 V A -0.5670
246 Q A -1.2206
247 C A -0.8068
248 T A 0.0000
249 H A -0.6585
250 G A -0.7654
251 I A 0.0000
252 K A -1.0132
253 P A 0.0000
254 V A -0.3464
255 V A 0.0000
256 S A 0.0000
257 T A 0.0000
258 Q A 0.0000
259 L A 0.0000
260 L A 0.0000
261 L A 0.0000
262 N A -1.3295
263 G A -0.6848
264 S A -0.6350
265 L A -0.9390
266 A A 0.0000
267 E A -3.7156
268 E A -4.0622
269 E A -3.6115
270 I A 0.0000
271 V A 0.0000
272 I A 0.0000
273 R A 0.0000
274 S A -1.9110
275 K A -3.1397
276 N A -2.5450
277 L A -1.5088
278 R A -2.1303
279 A A -0.9915 mutated: DA279A
280 S A 0.0400 mutated: NA280S
281 V A 1.2514 mutated: AA281V
282 N A -0.2683 mutated: KA282N
283 T A -0.2892 mutated: IA283T
284 I A 0.0000
285 I A 0.0000
286 V A 0.0000
287 Q A 0.0000
288 L A 0.0000
289 Q A -2.4557
290 K A -2.8652
291 S A -1.5893
292 V A 0.0000
293 E A -2.1611
294 I A 0.0000
295 V A -0.8950
296 C A 0.0000
297 T A 0.0000
298 R A 0.0000
299 P A -1.9818
300 N A -2.7570
301 N A -2.6850
324 G A -1.6486
325 D A -1.9314
326 I A -1.3269
327 R A -1.5467
328 Q A -1.5592
329 A A 0.0000
330 Y A -0.0473
331 C A 0.0000
332 Q A -0.4719
333 I A 0.0000
334 S A -1.3931
335 G A 0.0000
336 R A -3.1106
337 N A -2.6170
338 W A 0.0000
339 S A -2.5647
340 E A -3.3637
341 A A -2.4401
342 V A 0.0000
343 N A -2.8353
344 Q A -3.0036
345 V A 0.0000
346 K A -2.6524
347 K A -3.4500
348 K A -2.7290
349 L A 0.0000
350 K A -3.3006
351 E A -3.1247
352 H A -2.0574
353 F A -1.9377
354 P A -1.8933
355 H A -2.2308
356 K A -2.6622
357 N A -2.6494
358 I A 0.0000
359 S A 0.0000
360 F A 0.0000
361 Q A -1.3465
362 S A -1.4701
363 G A -1.8986 mutated: SA363G
364 E A -3.0112 mutated: SA364E
365 R A -3.1568 mutated: GA365R
366 S A -2.2016 mutated: GA366S
367 R A -1.9590 mutated: DA367R
368 L A -0.5817
369 E A -0.4394
370 I A -1.0077
371 T A -1.3782
372 T A 0.0000
373 H A 0.0000
374 S A 0.0000
375 F A 0.0000
376 N A -0.3842
377 C A 0.0000
378 G A -0.6706
379 G A -0.4325
380 E A 0.0000
381 F A 0.0000
382 F A 0.0000
383 Y A 0.0000
384 C A 0.0000
385 N A -0.8632
386 T A 0.0000
387 S A -0.7931
388 G A -0.6831
389 L A 0.0000
390 F A 0.0000
391 Q A -1.6765
392 D A -2.2468
393 T A -1.1912
394 I A -1.2602
395 S A -1.2883
396 N A -2.4664
412 A A -0.9891
413 T A -0.5553
414 I A -0.0085
415 M A 0.7861
416 L A 0.0000
417 P A -0.4798
418 C A 0.0000
419 R A -1.7364
420 I A 0.0000
421 K A -0.5888
422 Q A 0.1582
423 I A 1.2495
424 I A 0.0000
425 N A -0.2870
426 M A -0.2093
427 W A -0.5301
428 Q A -1.1681
429 E A -1.1687
430 V A 0.4559
431 G A -0.5004
432 K A -0.5389
433 A A 0.0000
434 I A 0.7625
435 Y A 0.2374
436 A A 0.2077
437 P A -0.1399
438 P A -0.2588
439 I A -0.2126
440 K A -1.9781
441 G A -2.1290
442 Q A -2.3044
443 I A 0.0000
444 T A -0.6563
445 C A -1.0142
446 K A -2.1162
447 S A -1.8124
448 D A -2.3233
449 I A 0.0000
450 T A 0.0000
451 G A 0.0000
452 L A 0.0000
453 L A 0.0000
454 L A 0.0000
455 N A -0.0135 mutated: LA455N
456 I A 0.0112 mutated: RA456I
457 G A -0.3310 mutated: DA457G
458 A A -0.3769 mutated: GA458A
459 P A -1.1695 mutated: GA459P
460 D A -2.3909
461 T A -2.0373
462 T A -1.9256
463 D A -2.9430
464 N A -3.0320
465 T A 0.0000
466 A A 0.0000 mutated: EA466A
467 I A -0.2424
468 F A 0.0000
469 R A -1.0250
470 P A 0.0000
471 E A -1.0780 mutated: SA471E
472 G A -0.5494
473 G A -0.8074
474 N A -0.8701 mutated: DA474N
475 M A 0.0000
476 R A -1.7212
477 D A 0.0000
478 N A 0.0000
479 W A 0.0000
480 R A -0.9400
481 S A -0.2834
482 E A 0.0000
483 L A 0.0000
484 Y A 0.0000
485 K A -1.1558
486 Y A 0.0000
487 K A -1.2398
488 V A -0.8137
489 V A -1.0483
490 E A -1.2688
491 I A 0.3433
492 K A -1.2933

 

Laboratory of Theory of Biopolymers 2015