Project name: Mutant_aggregation

Status: done

submitted: 2018-12-18 23:44:30, status changed: 2018-12-19 00:01:08
Settings
Chain sequence(s) A: KVRWPDFNQEAYVGGTMVRSGQDPYARNKFNQVESDKLRMDRAIPDTRHDQCQRKQWRVDLPATSVVITFHNEARSALLRTVVSVLKKSPPHLIKEIILVDDYSNDPEDGALLGKIEKVRVLRNDRREGLMRSRVRGADAAQAKVLTFLDSHCECNEHWLEPLLERVAEDRTRVVSPIIDVINMDNFQYVGASADLKGGFDWNLVFKWDYMTPEQRRSRQGNPVAPIKTPMIAGGLFVMDKFYFEELGKYDMMMDVWGGENLEISFRVWQCGGSLEIIPCSRVGHVFRKQHPYTFPGGSGTVFARNTRRAAEVWMDEYKNFYYAAVPSARNVPYGNIQSRLELRKKLSCKPFKWYLENVYPELRVPDHQDIAFGALQQGTNCLDTLGHFADGVVGVYECHNAGGNQEWALTKEKSVKHMDLCLTVVDRAPGSLIKLQGCRENDSRQKWEQIEGNSKLRHVGSNLCLDSRTAKSGGLSVEVCGPALSQQWKFTLN
P: STTPAPTTK
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues LA421P
Energy difference between WT (input) and mutated protein (by FoldX) 5.40369 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
-2.2681
Maximal score value
1.9023
Average score
-0.3353
Total score value
-168.6426

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
75 K A -1.6535
76 V A -0.4056
77 R A -1.7759
78 W A -0.2702
79 P A -0.5639
80 D A -1.8364
81 F A 0.0000
82 N A -1.2975
83 Q A -0.7042
84 E A -1.8335
85 A A -0.2768
86 Y A 0.0000
87 V A 0.0000
88 G A -0.4403
89 G A -0.5339
90 T A 0.0440
91 M A 0.8094
92 V A 0.0835
93 R A -1.8308
94 S A -0.6411
95 G A -0.6141
96 Q A -1.0008
97 D A -1.9082
98 P A -0.3225
99 Y A 0.3061
100 A A -0.1673
101 R A -1.5586
102 N A 0.0000
103 K A -0.3900
104 F A 0.0000
105 N A -0.1320
106 Q A 0.0000
107 V A 0.7361
108 E A -0.1281
109 S A 0.0000
110 D A -0.4961
111 K A -1.6816
112 L A -0.3734
113 R A -1.7717
114 M A -0.2747
115 D A -0.2590
116 R A -0.2589
117 A A 0.0685
118 I A 0.2578
119 P A -0.4629
120 D A -1.8249
121 T A -0.3850
122 R A -0.3638
123 H A -0.9421
124 D A -2.0057
125 Q A -0.9410
126 C A 0.0000
127 Q A -1.5376
128 R A -2.2135
129 K A -1.3707
130 Q A -1.2801
131 W A 0.0099
132 R A -0.3445
133 V A 1.3049
134 D A -1.4621
135 L A 0.0000
136 P A -0.0270
137 A A 0.0080
138 T A 0.0000
139 S A 0.0000
140 V A 0.0000
141 V A 0.0000
142 I A 0.0000
143 T A -0.0077
144 F A 0.0000
145 H A -0.2304
146 N A -0.4374
147 E A 0.0000
148 A A 0.0000
149 R A 0.0000
150 S A 0.0000
151 A A 0.0000
152 L A 0.0000
153 L A 0.0000
154 R A 0.0000
155 T A 0.0000
156 V A 0.0000
157 V A 0.0000
158 S A 0.0000
159 V A 0.0000
160 L A -0.0557
161 K A -1.2934
162 K A -0.5422
163 S A 0.0000
164 P A -0.0890
165 P A -0.4446
166 H A -1.0369
167 L A 0.0000
168 I A 0.0000
169 K A -1.3377
170 E A 0.0000
171 I A 0.0000
172 I A 0.0000
173 L A 0.0000
174 V A 0.0000
175 D A 0.0000
176 D A 0.0000
177 Y A 0.9473
178 S A 0.0000
179 N A -1.4550
180 D A -1.2548
181 P A -0.5965
182 E A -1.4653
183 D A -0.4395
184 G A 0.0000
185 A A -0.0132
186 L A 0.4976
187 L A 0.0000
188 G A -0.3761
189 K A -1.6526
190 I A 0.0000
191 E A -0.3529
192 K A -0.7529
193 V A 0.0000
194 R A -0.4360
195 V A 0.3732
196 L A 0.2087
197 R A -0.5163
198 N A 0.0000
199 D A -2.1275
200 R A -2.2218
201 R A -0.6877
202 E A -0.4816
203 G A 0.0000
204 L A 0.1828
205 M A 0.0000
206 R A -0.3764
207 S A 0.0000
208 R A -0.1434
209 V A 0.0033
210 R A -0.7517
211 G A 0.0000
212 A A 0.0000
213 D A -1.7866
214 A A -0.3137
215 A A 0.0000
216 Q A -1.1983
217 A A 0.0000
218 K A -0.8818
219 V A 0.0000
220 L A 0.0000
221 T A 0.0000
222 F A 0.0000
223 L A 0.0000
224 D A -0.5371
225 S A 0.0000
226 H A 0.0000
227 C A 0.0000
228 E A 0.0000
229 C A 0.0000
230 N A 0.0000
231 E A -1.4998
232 H A -0.7499
233 W A 0.0000
234 L A 0.0000
235 E A 0.0000
236 P A -0.0263
237 L A 0.0000
238 L A 0.0000
239 E A -0.2976
240 R A -0.3181
241 V A 0.0000
242 A A -0.3159
243 E A -1.8799
244 D A -1.2760
245 R A -1.5754
246 T A -0.3400
247 R A -0.2462
248 V A 0.0000
249 V A 0.0000
250 S A 0.0000
251 P A 0.0000
252 I A 0.0000
253 I A 0.0000
254 D A 0.0000
255 V A 0.1829
256 I A 0.0000
257 N A -0.6834
258 M A -0.1929
259 D A -1.2393
260 N A -1.4499
261 F A 0.0000
262 Q A -1.1983
263 Y A 0.0000
264 V A 0.5293
265 G A 0.0000
266 A A 0.0000
267 S A -0.2922
268 A A -0.0792
269 D A -0.5411
270 L A 0.0000
271 K A -0.2486
272 G A 0.0000
273 G A 0.0000
274 F A 0.0000
275 D A -1.1432
276 W A 0.0000
277 N A -0.4830
278 L A 0.0000
279 V A 0.6319
280 F A 0.0000
281 K A -0.9761
282 W A -0.1021
283 D A -0.2752
284 Y A 1.0638
285 M A 0.0000
286 T A -0.0560
287 P A -0.5668
288 E A -2.0946
289 Q A -0.6974
290 R A -1.1288
291 R A -2.2095
292 S A -0.5957
293 R A -0.5012
294 Q A -1.3289
295 G A -0.7895
296 N A -0.6527
297 P A -0.1893
298 V A 0.0000
299 A A 0.0006
300 P A -0.0645
301 I A 0.0000
302 K A -1.2698
303 T A 0.0000
304 P A 0.0000
305 M A 0.0000
306 I A 0.0000
307 A A 0.0000
308 G A 0.0000
309 G A -0.0823
310 L A 0.0000
311 F A 0.0000
312 V A 0.0000
313 M A 0.0000
314 D A 0.0000
315 K A 0.1473
316 F A 1.9023
317 Y A 0.0000
318 F A 0.0000
319 E A -1.1449
320 E A -1.9595
321 L A 0.0000
322 G A -0.1483
323 K A -0.6084
324 Y A 0.0000
325 D A 0.0000
326 M A 0.4756
327 M A 0.8928
328 M A 0.0000
329 D A -0.3173
330 V A 0.0000
331 W A 0.1691
332 G A 0.0000
333 G A 0.0000
334 E A 0.0000
335 N A -0.1450
336 L A 0.0000
337 E A 0.0000
338 I A 0.0000
339 S A 0.0000
340 F A 0.0000
341 R A 0.0000
342 V A 0.0000
343 W A 0.0000
344 Q A 0.0000
345 C A 0.0240
346 G A -0.4486
347 G A 0.0000
348 S A -0.0335
349 L A 0.0000
350 E A 0.0000
351 I A 0.0000
352 I A 0.0000
353 P A 0.0000
354 C A 0.0000
355 S A 0.0000
356 R A 0.0000
357 V A 0.0000
358 G A 0.0000
359 H A 0.0000
360 V A 0.0000
361 F A 0.0000
362 R A -0.5560
363 K A -1.9223
364 Q A -1.2975
365 H A -0.3034
366 P A -0.0500
367 Y A 0.1752
368 T A 0.0019
369 F A 0.1112
370 P A -0.3057
371 G A -0.5546
372 G A -0.3017
373 S A -0.2036
374 G A -0.4878
375 T A -0.1261
376 V A 0.0000
377 F A 0.3319
378 A A 0.0000
379 R A -0.7847
380 N A 0.0000
381 T A 0.0000
382 R A -0.2201
383 R A 0.0000
384 A A 0.0000
385 A A 0.0000
386 E A -0.3063
387 V A 0.0000
388 W A 0.0000
389 M A 0.0000
390 D A -0.8192
391 E A -1.8603
392 Y A -0.1118
393 K A -0.4164
394 N A -1.2450
395 F A 0.1492
396 Y A 0.0000
397 Y A 0.1735
398 A A 0.0916
399 A A 0.1284
400 V A 0.3889
401 P A -0.2071
402 S A -0.2573
403 A A 0.0000
404 R A -1.6193
405 N A -1.5283
406 V A 0.0000
407 P A -0.2085
408 Y A 0.1189
409 G A -0.6564
410 N A -1.3598
411 I A 0.0000
412 Q A -1.1894
413 S A -0.4343
414 R A 0.0000
415 L A 0.0262
416 E A -1.6879
417 L A -0.1936
418 R A -0.5339
419 K A -2.0596
420 K A -2.0238
421 P A -0.4134 mutated: LA421P
422 S A -0.2071
423 C A -0.1035
424 K A -0.9277
425 P A -0.2553
426 F A 0.0000
427 K A -1.6545
428 W A -0.0652
429 Y A 0.0000
430 L A 0.0000
431 E A -2.0821
432 N A -1.5745
433 V A -0.0464
434 Y A 0.0000
435 P A -0.6872
436 E A -1.3238
437 L A -0.3986
438 R A -1.6596
439 V A 0.4527
440 P A -0.3027
441 D A -1.9946
442 H A -1.5418
443 Q A -1.7127
444 D A -1.8480
445 I A 0.5623
446 A A 0.3188
447 F A 0.7436
448 G A 0.0000
449 A A 0.0069
450 L A 0.0000
451 Q A -0.2472
452 Q A 0.0000
453 G A -0.4794
454 T A -0.2429
455 N A -0.7099
456 C A 0.0000
457 L A 0.0000
458 D A 0.0000
459 T A 0.0000
460 L A 0.6296
461 G A -0.4145
462 H A -0.1597
463 F A 1.8699
464 A A 0.0628
465 D A -1.7937
466 G A -0.3528
467 V A 0.2457
468 V A 0.0000
469 G A 0.0000
470 V A 0.6497
471 Y A 1.0868
472 E A -1.4437
473 C A -0.2794
474 H A -0.8900
475 N A -1.3878
476 A A -0.1979
477 G A -0.2634
478 G A -0.6125
479 N A -0.7602
480 Q A 0.0000
481 E A -0.6076
482 W A 0.0000
483 A A 0.0000
484 L A 0.2308
485 T A -0.2818
486 K A -2.0361
487 E A -2.2681
488 K A -1.0768
489 S A -0.1577
490 V A 0.0000
491 K A -0.3294
492 H A 0.0000
493 M A 0.7247
494 D A -1.5959
495 L A 0.0000
496 C A 0.0000
497 L A 0.0000
498 T A 0.0000
499 V A 0.0000
500 V A 0.4949
501 D A -1.4925
502 R A -1.8628
503 A A -0.3006
504 P A -0.3037
505 G A -0.2214
506 S A 0.0191
507 L A 0.4242
508 I A 0.0000
509 K A -0.3188
510 L A 0.0000
511 Q A -0.1654
512 G A -0.1033
513 C A -0.0165
514 R A -1.3205
515 E A -2.2428
516 N A -1.6397
517 D A -0.4483
518 S A -0.3569
519 R A -0.6471
520 Q A 0.0000
521 K A -0.2397
522 W A 0.0000
523 E A -0.3857
524 Q A -0.8215
525 I A -0.3647
526 E A -1.8651
527 G A -1.0402
528 N A -1.4190
529 S A -0.3297
530 K A -0.2635
531 L A 0.0000
532 R A -0.5477
533 H A 0.0000
534 V A 0.4131
535 G A -0.3825
536 S A -0.3712
537 N A -1.2821
538 L A 0.0000
539 C A 0.0000
540 L A 0.0000
541 D A 0.0000
542 S A -0.2771
543 R A -1.3826
544 T A -0.2790
545 A A -0.2933
546 K A -1.7354
547 S A -0.5837
548 G A -0.3485
549 G A 0.0000
550 L A 0.0000
551 S A 0.0000
552 V A 0.0000
553 E A -0.0508
554 V A 1.1362
555 C A 0.3782
556 G A -0.1414
557 P A -0.2740
558 A A 0.2615
559 L A 1.5445
560 S A 0.2428
561 Q A 0.0000
562 Q A -0.7451
563 W A 0.0000
564 K A -1.6200
565 F A 0.1161
566 T A 0.3498
567 L A 1.3095
568 N A -0.9869
5 S P -0.2144
6 T P -0.0497
7 T P -0.0300
8 P P -0.0806
9 A P 0.0250
10 P P 0.0000
11 T P -0.0542
12 T P -0.3544
13 K P -1.7093

 

Laboratory of Theory of Biopolymers 2015