Project name: Mutant_aggregation

Status: done

submitted: 2018-12-12 10:02:01, status changed: 2018-12-12 11:18:39
Settings
Chain sequence(s) A: RWKHTSSLKVANEPVLAFTQGSPERDALQKALKDLKGRMEAIPCVVGDEEVWTSDVQYQVSPFNHGHKVAKFCYADKSLLNKAIEAALAARKEWDLKPIADRAQIFLKAADMLSGPRRAEILAKTMVGQGKTVIQAEIDAAAELIDFFRFNAKYAVELEGQQPISVPPSTNSTVYRGLEGFVAAISPFNFTAIGGNLAGAPALMGNVVLWKPSDTAMLASYAVYRILREAGLPPNIIQFVPADGPLFGDTVTSSEHLCGINFTGSVPTFKHLWKQVAQNLDRFHTFPRLAGECGGKNFHFVHRSADVESVVSGTLRSAFEYGGQKCSACSRLYVPHSLWPQIKGRLLEEHSRIKVGDPAEDFGTFFSAVIDAKSFARIKKWLEHARSSPSLTILAGGKCDDSVGYFVEPCIVESKDPQEPIMKEEIFGPVLSVYVYPDDKYKETLQLVDSTTSYGLTGAVFSQDKDVVQEATKVLRNAAGNFYINDKSTGSIVGQQPFGGARASGTNDKPGGPHYILRWTSPQVIKETHKPLGDWSYAYMQ
C: RWKHTSSLKVANEPVLAFTQGSPERDALQKALKDLKGRMEAIPCVVGDEEVWTSDVQYQVSPFNHGHKVAKFCYADKSLLNKAIEAALAARKEWDLKPIADRAQIFLKAADMLSGPRRAEILAKTMVGQGKTVIQAEIDAAAELIDFFRFNAKYAVELEGQQPISVPPSTNSTVYRGLEGFVAAISPFNFTAIGGNLAGAPALMGNVVLWKPSDTAMLASYAVYRILREAGLPPNIIQFVPADGPLFGDTVTSSEHLCGINFTGSVPTFKHLWKQVAQNLDRFHTFPRLAGECGGKNFHFVHRSADVESVVSGTLRSAFEYGGQKCSACSRLYVPHSLWPQIKGRLLEEHSRIKVGDPAEDFGTFFSAVIDAKSFARIKKWLEHARSSPSLTILAGGKCDDSVGYFVEPCIVESKDPQEPIMKEEIFGPVLSVYVYPDDKYKETLQLVDSTTSYGLTGAVFSQDKDVVQEATKVLRNAAGNFYINDKSTGSIVGQQPFGGARASGTNDKPGGPHYILRWTSPQVIKETHKPLGDWSYAYM
B: RWKHTSSLKVANEPVLAFTQGSPERDALQKALKDLKGRMEAIPCVVGDEEVWTSDVQYQVSPFNHGHKVAKFCYADKSLLNKAIEAALAARKEWDLKPIADRAQIFLKAADMLSGPRRAEILAKTMVGQGKTVIQAEIDAAAELIDFFRFNAKYAVELEGQQPISVPPSTNSTVYRGLEGFVAAISPFNFTAIGGNLAGAPALMGNVVLWKPSDTAMLASYAVYRILREAGLPPNIIQFVPADGPLFGDTVTSSEHLCGINFTGSVPTFKHLWKQVAQNLDRFHTFPRLAGECGGKNFHFVHRSADVESVVSGTLRSAFEYGGQKCSACSRLYVPHSLWPQIKGRLLEEHSRIKVGDPAEDFGTFFSAVIDAKSFARIKKWLEHARSSPSLTILAGGKCDDSVGYFVEPCIVESKDPQEPIMKEEIFGPVLSVYVYPDDKYKETLQLVDSTTSYGLTGAVFSQDKDVVQEATKVLRNAAGNFYINDKSTGSIVGQQPFGGARASGTNDKPGGPHYILRWTSPQVIKETHKPLGDWSYAYMQ
D: RWKHTSSLKVANEPVLAFTQGSPERDALQKALKDLKGRMEAIPCVVGDEEVWTSDVQYQVSPFNHGHKVAKFCYADKSLLNKAIEAALAARKEWDLKPIADRAQIFLKAADMLSGPRRAEILAKTMVGQGKTVIQAEIDAAAELIDFFRFNAKYAVELEGQQPISVPPSTNSTVYRGLEGFVAAISPFNFTAIGGNLAGAPALMGNVVLWKPSDTAMLASYAVYRILREAGLPPNIIQFVPADGPLFGDTVTSSEHLCGINFTGSVPTFKHLWKQVAQNLDRFHTFPRLAGECGGKNFHFVHRSADVESVVSGTLRSAFEYGGQKCSACSRLYVPHSLWPQIKGRLLEEHSRIKVGDPAEDFGTFFSAVIDAKSFARIKKWLEHARSSPSLTILAGGKCDDSVGYFVEPCIVESKDPQEPIMKEEIFGPVLSVYVYPDDKYKETLQLVDSTTSYGLTGAVFSQDKDVVQEATKVLRNAAGNFYINDKSTGSIVGQQPFGGARASGTNDKPGGPHYILRWTSPQVIKETHKPLGDWSYAYM
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues YA96F
Energy difference between WT (input) and mutated protein (by FoldX) 1.09339 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
-2.4843
Maximal score value
1.734
Average score
-0.2675
Total score value
-578.3126

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
23 R A -1.7957
24 W A -0.2480
25 K A -1.1381
26 H A -1.1860
27 T A -0.2107
28 S A -0.1962
29 S A -0.0411
30 L A 0.0000
31 K A -0.7219
32 V A 0.1253
33 A A 0.0164
34 N A -0.3070
35 E A 0.0000
36 P A -0.0365
37 V A 1.1991
38 L A 0.6532
39 A A 0.1367
40 F A 0.0000
41 T A -0.2496
42 Q A -1.2903
43 G A -0.6939
44 S A -0.1613
45 P A -0.3049
46 E A -0.3562
47 R A -0.7148
48 D A -1.8464
49 A A -0.2964
50 L A 0.0000
51 Q A -0.6297
52 K A -1.7568
53 A A -0.3008
54 L A 0.0000
55 K A -2.0283
56 D A -2.0680
57 L A -0.4493
58 K A -1.7520
59 G A -1.1168
60 R A -1.8268
61 M A -0.0234
62 E A -1.3254
63 A A -0.2689
64 I A 0.0000
65 P A 0.0000
66 C A 0.0000
67 V A 0.0000
68 V A 0.0000
69 G A 0.0000
70 D A -2.1225
71 E A -2.4841
72 E A -2.1104
73 V A 0.0256
74 W A 0.6988
75 T A 0.0707
76 S A -0.4726
77 D A -1.3458
78 V A 0.2806
79 Q A -0.0789
80 Y A 0.4931
81 Q A 0.0000
82 V A 0.3184
83 S A 0.0000
84 P A 0.0000
85 F A 0.0000
86 N A -0.7526
87 H A -0.4652
88 G A -0.5513
89 H A -0.4523
90 K A -0.8012
91 V A 0.0000
92 A A 0.0000
93 K A -0.4169
94 F A 0.0000
95 C A 0.0000
96 F A 0.2353 mutated: YA96F
97 A A 0.0000
98 D A -1.6541
99 K A -1.9848
100 S A -0.5276
101 L A 0.0000
102 L A 0.0000
103 N A -0.8445
104 K A -1.2439
105 A A 0.0000
106 I A 0.0000
107 E A -1.8178
108 A A -0.3240
109 A A 0.0000
110 L A 0.1730
111 A A 0.0904
112 A A -0.1483
113 R A -1.0702
114 K A -1.2914
115 E A -1.8966
116 W A 0.0000
117 D A -0.2125
118 L A 0.2492
119 K A -0.8449
120 P A -0.4054
121 I A 0.0000
122 A A -0.2878
123 D A -1.7820
124 R A 0.0000
125 A A 0.0000
126 Q A -1.1292
127 I A -0.0034
128 F A 0.0000
129 L A -0.0349
130 K A -0.9871
131 A A 0.0000
132 A A 0.0000
133 D A -1.7703
134 M A -0.1994
135 L A 0.0000
136 S A -0.3166
137 G A -0.5100
138 P A -0.3932
139 R A -0.3556
140 R A 0.0000
141 A A -0.0691
142 E A -0.4152
143 I A 0.0000
144 L A 0.0000
145 A A 0.0000
146 K A -0.2299
147 T A 0.0000
148 M A 0.0000
149 V A 0.0000
150 G A 0.0000
151 Q A 0.0000
152 G A 0.0000
153 K A 0.0000
154 T A 0.0000
155 V A 0.0000
156 I A 0.0000
157 Q A 0.0000
158 A A 0.0000
159 E A 0.0000
160 I A 0.4631
161 D A 0.0000
162 A A 0.0000
163 A A 0.0000
164 A A 0.0000
165 E A -0.2461
166 L A 0.0000
167 I A 0.0000
168 D A 0.0000
169 F A 0.0000
170 F A 0.0000
171 R A -0.2307
172 F A 0.0000
173 N A 0.0000
174 A A 0.0000
175 K A -0.2463
176 Y A 0.0939
177 A A 0.0000
178 V A 0.0000
179 E A -0.5548
180 L A 0.0000
181 E A -1.2953
182 G A -0.5217
183 Q A -0.9284
184 Q A -0.6122
185 P A 0.0785
186 I A 1.0389
187 S A 0.2649
188 V A 0.9883
189 P A -0.1198
190 P A -0.2705
191 S A 0.0000
192 T A -0.0411
193 N A 0.0000
194 S A -0.1089
195 T A 0.0439
196 V A 0.4081
197 Y A 0.2093
198 R A 0.0000
199 G A 0.0000
200 L A 0.0000
201 E A -0.2804
202 G A 0.0000
203 F A 0.0000
204 V A 0.0000
205 A A 0.0000
206 A A 0.0000
207 I A 0.2044
208 S A 0.0000
209 P A 0.0136
210 F A 0.2658
211 N A 0.0000
212 F A 0.2695
213 T A 0.0000
214 A A 0.0000
215 I A 0.2256
216 G A 0.0000
217 G A 0.0000
218 N A 0.0000
219 L A 0.0000
220 A A 0.0000
221 G A 0.0000
222 A A 0.0000
223 P A 0.0000
224 A A 0.0000
225 L A 0.0000
226 M A 0.0000
227 G A 0.0000
228 N A 0.0000
229 V A 0.0000
230 V A 0.0000
231 L A 0.0000
232 W A 0.0000
233 K A 0.0000
234 P A 0.0000
235 S A -0.1505
236 D A -0.6827
237 T A -0.1389
238 A A 0.0000
239 M A 0.0000
240 L A 0.0000
241 A A 0.0000
242 S A 0.0000
243 Y A 0.0000
244 A A 0.0000
245 V A 0.0000
246 Y A 0.0000
247 R A -1.0342
248 I A 0.0000
249 L A 0.0000
250 R A -0.5184
251 E A -1.2911
252 A A 0.0000
253 G A -0.3483
254 L A 0.0000
255 P A -0.0708
256 P A -0.1723
257 N A -0.2394
258 I A 0.0000
259 I A 0.0000
260 Q A 0.0000
261 F A 0.0000
262 V A 0.0000
263 P A 0.0000
264 A A 0.0000
265 D A -1.0973
266 G A -0.5165
267 P A -0.2538
268 L A 0.2365
269 F A 0.0000
270 G A 0.0000
271 D A -1.1432
272 T A 0.0000
273 V A 0.0000
274 T A 0.0000
275 S A -0.2166
276 S A -0.2331
277 E A -1.0040
278 H A -0.4790
279 L A 0.0000
280 C A 0.0000
281 G A 0.0000
282 I A 0.0000
283 N A 0.0000
284 F A 0.0000
285 T A 0.0000
286 G A -0.1539
287 S A -0.1225
288 V A 0.1149
289 P A -0.2319
290 T A -0.2008
291 F A 0.0000
292 K A -0.4617
293 H A -1.0472
294 L A 0.0000
295 W A 0.0000
296 K A -0.4736
297 Q A -0.3973
298 V A 0.0000
299 A A 0.0000
300 Q A -1.2209
301 N A -0.3430
302 L A 0.0000
303 D A -2.1323
304 R A -2.1768
305 F A 0.0000
306 H A -0.9914
307 T A -0.2316
308 F A 0.0000
309 P A 0.0000
310 R A -0.2100
311 L A 0.0000
312 A A 0.0000
313 G A 0.0000
314 E A -0.2580
315 C A 0.0000
316 G A 0.0000
317 G A 0.0000
318 K A 0.0000
319 N A 0.0000
320 F A 0.0000
321 H A 0.0000
322 F A 0.0000
323 V A 0.0000
324 H A -0.4543
325 R A -1.8743
326 S A -0.3803
327 A A 0.0000
328 D A -0.4913
329 V A -0.2089
330 E A -1.7800
331 S A 0.0000
332 V A 0.0000
333 V A 0.0000
334 S A -0.0216
335 G A 0.0000
336 T A 0.0000
337 L A 0.0000
338 R A -0.3153
339 S A 0.0000
340 A A 0.0000
341 F A 0.0000
342 E A 0.0000
343 Y A 0.0000
344 G A 0.0000
345 G A 0.0000
346 Q A 0.0000
347 K A 0.0000
348 C A 0.0755
349 S A 0.0000
350 A A 0.0000
351 C A 0.0000
352 S A -0.0262
353 R A 0.0000
354 L A 0.0000
355 Y A 0.0000
356 V A 0.0000
357 P A 0.0000
358 H A -1.0106
359 S A -0.2865
360 L A 0.1787
361 W A 0.1068
362 P A -0.4524
363 Q A -1.2450
364 I A 0.0000
365 K A -0.7307
366 G A -0.4697
367 R A -0.9042
368 L A 0.0000
369 L A 0.0475
370 E A -1.7962
371 E A -0.6032
372 H A -0.2026
373 S A -0.5707
374 R A -1.8460
375 I A -0.4143
376 K A -1.4583
377 V A 0.0743
378 G A -0.0858
379 D A -0.4816
380 P A 0.0000
381 A A -0.3237
382 E A -1.9339
383 D A -0.9618
384 F A 0.0000
385 G A -0.1005
386 T A 0.0000
387 F A 0.0000
388 F A 0.0000
389 S A 0.0000
390 A A 0.0000
391 V A 0.0000
392 I A 0.0000
393 D A -0.2079
394 A A -0.3065
395 K A -1.6910
396 S A 0.0000
397 F A 0.0000
398 A A -0.1064
399 R A -0.8141
400 I A 0.0000
401 K A -1.2838
402 K A -1.8777
403 W A 0.0000
404 L A 0.0000
405 E A -1.8633
406 H A -0.5705
407 A A 0.0000
408 R A -1.8831
409 S A -0.5552
410 S A -0.1080
411 P A -0.2637
412 S A -0.0724
413 L A 0.0000
414 T A 0.0162
415 I A 0.4284
416 L A 0.3558
417 A A 0.0000
418 G A -0.2419
419 G A 0.0000
420 K A -1.6766
421 C A -0.4216
422 D A -1.5373
423 D A -1.7272
424 S A -0.1582
425 V A 1.7340
426 G A 0.0000
427 Y A 0.0120
428 F A 0.3613
429 V A 0.0000
430 E A -0.9293
431 P A 0.0000
432 C A 0.0000
433 I A 0.0000
434 V A 0.0000
435 E A -0.3913
436 S A 0.0000
437 K A -1.8402
438 D A -1.0812
439 P A -0.2756
440 Q A -0.5524
441 E A 0.0000
442 P A -0.1808
443 I A 0.0000
444 M A 0.0000
445 K A -0.8342
446 E A -1.9721
447 E A -0.8754
448 I A 0.0000
449 F A 0.2824
450 G A 0.0000
451 P A 0.0000
452 V A 0.0000
453 L A 0.0000
454 S A 0.0000
455 V A 0.0000
456 Y A 0.1937
457 V A 0.2181
458 Y A 0.0000
459 P A -0.1258
460 D A -0.7160
461 D A -2.1101
462 K A -1.6556
463 Y A -0.3404
464 K A -1.9924
465 E A -2.1305
466 T A 0.0000
467 L A 0.0000
468 Q A -1.1225
469 L A 0.1415
470 V A 0.0000
471 D A -0.3341
472 S A -0.2282
473 T A 0.0000
474 T A -0.0432
475 S A -0.1566
476 Y A 0.1532
477 G A 0.0000
478 L A 0.0000
479 T A 0.0000
480 G A 0.0000
481 A A 0.0000
482 V A 0.0000
483 F A 0.0000
484 S A 0.0000
485 Q A -1.3457
486 D A -1.3311
487 K A -2.1708
488 D A -2.0977
489 V A 0.0000
490 V A -0.0235
491 Q A -1.2187
492 E A -0.5246
493 A A 0.0000
494 T A 0.0000
495 K A -0.8494
496 V A 0.2418
497 L A 0.0000
498 R A -0.2830
499 N A -0.1936
500 A A 0.0000
501 A A 0.0000
502 G A 0.0000
503 N A 0.0000
504 F A 0.0000
505 Y A 0.0000
506 I A 0.0000
507 N A -0.3185
508 D A -0.2901
509 K A -0.2660
510 S A 0.0000
511 T A 0.0000
512 G A -0.3555
513 S A -0.0168
514 I A 0.4142
515 V A 0.0000
516 G A 0.0000
517 Q A -0.0082
518 Q A 0.0000
519 P A 0.0000
520 F A 0.2518
521 G A 0.0000
522 G A 0.0000
523 A A -0.0277
524 R A -0.1811
525 A A -0.0043
526 S A 0.0000
527 G A 0.0000
528 T A 0.0000
529 N A 0.0000
530 D A -0.2874
531 K A 0.0000
532 P A -0.0343
533 G A 0.0000
534 G A 0.0000
535 P A -0.1407
536 H A -0.1928
537 Y A 0.0000
538 I A 0.0000
539 L A 0.1529
540 R A -0.2231
541 W A 0.0000
542 T A 0.0000
543 S A 0.0000
544 P A -0.0105
545 Q A 0.0000
546 V A 0.0000
547 I A 0.0000
548 K A -0.3363
549 E A -0.6757
550 T A 0.0000
551 H A -1.3013
552 K A -1.9269
553 P A -0.4804
554 L A 0.2977
555 G A -0.7189
556 D A -1.8756
557 W A 0.0000
558 S A 0.0167
559 Y A 0.2356
560 A A 0.1001
561 Y A 0.0000
562 M A -0.1035
563 Q A -1.1745
23 R B -1.7928
24 W B -0.3004
25 K B -1.6838
26 H B -1.2759
27 T B -0.2091
28 S B -0.1063
29 S B -0.0682
30 L B 0.0000
31 K B -1.6134
32 V B -0.0137
33 A B 0.0262
34 N B -0.3016
35 E B 0.0000
36 P B -0.0584
37 V B 1.1052
38 L B 0.6583
39 A B 0.1408
40 F B 0.0000
41 T B -0.2473
42 Q B -1.2893
43 G B -0.6916
44 S B -0.1594
45 P B -0.3063
46 E B -0.3535
47 R B -0.6724
48 D B -1.8404
49 A B -0.3031
50 L B 0.0000
51 Q B -0.6397
52 K B -1.7589
53 A B -0.3018
54 L B 0.0000
55 K B -2.0278
56 D B -2.0726
57 L B -0.4763
58 K B -1.7571
59 G B -1.0866
60 R B -1.6409
61 M B 0.1198
62 E B -0.5826
63 A B -0.1184
64 I B 0.0000
65 P B 0.0000
66 C B 0.0000
67 V B 0.0000
68 V B 0.0000
69 G B 0.0000
70 D B -2.1204
71 E B -2.4834
72 E B -2.1086
73 V B 0.0422
74 W B 0.6857
75 T B 0.0669
76 S B -0.4689
77 D B -1.3159
78 V B 0.3311
79 Q B -0.0349
80 Y B 0.5351
81 Q B 0.0000
82 V B 0.3134
83 S B 0.0000
84 P B 0.0000
85 F B 0.0000
86 N B -0.6818
87 H B -0.5151
88 G B -0.5679
89 H B -0.5035
90 K B -0.9580
91 V B 0.0000
92 A B 0.0000
93 K B -0.3610
94 F B 0.0000
95 C B 0.0000
96 Y B 0.1724
97 A B 0.0000
98 D B -1.6515
99 K B -1.9826
100 S B -0.5262
101 L B 0.0000
102 L B 0.0000
103 N B -1.2063
104 K B -1.3801
105 A B 0.0000
106 I B 0.0000
107 E B -1.8180
108 A B -0.3221
109 A B 0.0000
110 L B 0.3839
111 A B 0.1284
112 A B 0.0213
113 R B 0.0000
114 K B -0.8121
115 E B -1.8420
116 W B 0.0000
117 D B -0.0792
118 L B 0.3109
119 K B -0.5867
120 P B -0.3360
121 I B 0.1583
122 A B -0.2027
123 D B -1.4113
124 R B 0.0000
125 A B 0.0000
126 Q B -0.8812
127 I B 0.0000
128 F B 0.0000
129 L B 0.0000
130 K B -0.9735
131 A B 0.0000
132 A B 0.0000
133 D B -0.7423
134 M B -0.0099
135 L B 0.0000
136 S B -0.2112
137 G B -0.5194
138 P B -0.3993
139 R B -0.3794
140 R B 0.0000
141 A B -0.0617
142 E B -0.3740
143 I B 0.0000
144 L B 0.0000
145 A B 0.0000
146 K B -0.2360
147 T B 0.0000
148 M B 0.0000
149 V B 0.0000
150 G B 0.0000
151 Q B 0.0000
152 G B 0.0000
153 K B 0.0000
154 T B 0.0000
155 V B 0.0000
156 I B 0.1950
157 Q B 0.0000
158 A B 0.0000
159 E B 0.0000
160 I B 0.4396
161 D B 0.0000
162 A B 0.0000
163 A B 0.0000
164 A B 0.0000
165 E B -0.3144
166 L B 0.0000
167 I B 0.0000
168 D B 0.0000
169 F B 0.0000
170 F B 0.0000
171 R B 0.0000
172 F B 0.0000
173 N B 0.0000
174 A B 0.0000
175 K B -0.2620
176 Y B 0.0941
177 A B 0.0000
178 V B 0.0000
179 E B -0.8594
180 L B 0.0000
181 E B -1.7642
182 G B -0.8312
183 Q B -0.8234
184 Q B -0.4322
185 P B 0.1069
186 I B 1.0306
187 S B 0.2416
188 V B 0.9268
189 P B -0.1330
190 P B -0.2826
191 S B 0.0000
192 T B -0.0306
193 N B 0.0000
194 S B -0.0750
195 T B 0.0505
196 V B 0.4163
197 Y B 0.2229
198 R B 0.0000
199 G B 0.0000
200 L B 0.0000
201 E B -0.4552
202 G B 0.0000
203 F B 0.0000
204 V B 0.0000
205 A B 0.0000
206 A B 0.0000
207 I B 0.2002
208 S B 0.0000
209 P B 0.0123
210 F B 0.2534
211 N B 0.0000
212 F B 0.2544
213 T B 0.0000
214 A B 0.0000
215 I B 0.2076
216 G B 0.0000
217 G B 0.0000
218 N B 0.0000
219 L B 0.0000
220 A B 0.0000
221 G B 0.0000
222 A B 0.0000
223 P B 0.0000
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Laboratory of Theory of Biopolymers 2015