Project name: Mutant_aggregation

Status: done

submitted: 2018-12-13 14:14:05, status changed: 2018-12-13 15:06:08
Settings
Chain sequence(s) A: PLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHERQMVFGVVTAIDLLNFVAAQERDQ
C: PLWIRPDAPSRCTWQLGRPSESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHERQMVFGVVTAIDLLNFVAAQERDQ
B: PLWIRPDAPSRCTWQLGRPASESPHHHTAPAKSPKILPDILKKIGDTPMVRINKIGKKFGLKCELLAKCEFFNAGGSVKDRISLRMIEDAERDGTLKPGDTIIEPTSGNTGIGLALAAAVRGYRCIIVMPEKMSSEKVDVLRALGAEIVRTPTNARFDSPESHVGVAWRLKNEIPNSHILDQYRNASNPLAHYDTTADEILQQCDGKLDMLVASVGTGGTITGIARKLKEKCPGCRIIGVDPEGSILAEPEELNQTEQTTYEVEGIGYDFIPTVLDRTVVDKWFKSNDEEAFTFARMLIAQEGLLCGGSAGSTVAVAVKAAQELQEGQRCVVILPDSVRNYMTKFLSDRWMLQKGFLKEEDLTEKKPWWWHLRVQELGLSAPLTVLPTITCGHTIEILREKGFDQAPVVDEAGVILGMVTLGNMLSSLLAGKVQPSDQVGKVIYKQFKQIRLTDTLGRLSHILEMDHFALVVHERQMVFGVVTAIDLLNFVAAQERDQ
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues EA104D
Energy difference between WT (input) and mutated protein (by FoldX) 0.618419 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
-2.5064
Maximal score value
1.941
Average score
-0.3308
Total score value
-493.9313

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
41 P B -0.0851
42 L B 0.9371
43 W B 0.5910
44 I B 0.6533
45 R B -0.9799
46 P B 0.0000
47 D B -0.5312
48 A B -0.1282
49 P B -0.2760
50 S B -0.5237
51 R B -1.7993
52 C B 0.0077
53 T B 0.0381
54 W B -0.0186
55 Q B -0.9309
56 L B 0.9005
57 G B -0.5820
58 R B -1.9768
59 P B -0.5792
60 A B -0.0277
61 S B -0.5388
62 E B -1.8723
63 S B -0.4492
64 P B -0.3308
65 H B -0.5704
66 H B -1.1878
67 H B -0.9184
68 T B -0.1633
69 A B 0.0315
70 P B -0.0854
71 A B -0.2742
72 K B -1.7027
73 S B -0.4056
74 P B -0.4329
75 K B -1.3420
76 I B 1.7674
77 L B 0.7233
78 P B -0.4300
79 D B -1.1730
80 I B 0.7772
81 L B 0.0000
82 K B -1.5807
83 K B -1.8811
84 I B -0.0476
85 G B -0.3449
86 D B -1.8021
87 T B 0.0000
88 P B -0.0560
89 M B 0.2780
90 V B 0.5899
91 R B -0.3046
92 I B 0.0000
93 N B -1.4631
94 K B -1.7103
95 I B 0.0000
96 G B 0.0000
97 K B -2.0712
98 K B -1.8526
99 F B 0.4709
100 G B -0.5183
101 L B 0.0000
102 K B -1.9874
103 C B 0.0000
104 E B 0.0000
105 L B 0.0000
106 L B 0.0000
107 A B 0.0000
108 K B 0.0000
109 C B 0.0000
110 E B 0.0000
111 F B 0.0000
112 F B 1.9410
113 N B 0.0000
114 A B 0.0268
115 G B 0.0000
116 G B 0.0000
117 S B 0.0000
118 V B 0.0000
119 K B -0.2050
120 D B 0.0000
121 R B 0.0000
122 I B 0.0000
123 S B 0.0000
124 L B 0.2311
125 R B 0.0000
126 M B 0.0000
127 I B 0.0000
128 E B -0.5427
129 D B -0.4552
130 A B 0.0000
131 E B -0.7637
132 R B -2.2542
133 D B -2.2179
134 G B -0.8059
135 T B -0.1282
136 L B 0.0000
137 K B -1.7464
138 P B -0.6498
139 G B -0.4987
140 D B 0.0000
141 T B 0.0000
142 I B 0.0000
143 I B 0.0000
144 E B 0.0000
145 P B 0.0000
146 T B 0.0000
147 S B 0.0000
148 G B 0.0000
149 N B 0.0000
150 T B 0.0000
151 G B 0.0000
152 I B 0.0000
153 G B 0.0000
154 L B 0.0000
155 A B 0.0000
156 L B 0.1987
157 A B 0.0000
158 A B 0.0000
159 A B 0.1544
160 V B 0.4104
161 R B -0.6246
162 G B -0.5577
163 Y B -0.1931
164 R B -0.9882
165 C B 0.0000
166 I B 0.0000
167 I B 0.0000
168 V B 0.0000
169 M B 0.0000
170 P B 0.0000
171 E B -1.8819
172 K B -0.6522
173 M B 0.0421
174 S B 0.0000
175 S B -0.2253
176 E B -0.4617
177 K B 0.0000
178 V B -0.0497
179 D B -1.6994
180 V B 0.0011
181 L B 0.0000
182 R B -1.8333
183 A B -0.1881
184 L B 0.2585
185 G B -0.4056
186 A B 0.0000
187 E B -0.6217
188 I B 0.3762
189 V B 0.5852
190 R B -0.4231
191 T B 0.0000
192 P B -0.0816
193 T B -0.2878
194 N B -1.2776
195 A B -0.5760
196 R B -1.8007
197 F B -0.2837
198 D B -0.8519
199 S B -0.2689
200 P B -0.5994
201 E B -1.8666
202 S B 0.0000
203 H B -0.1070
204 V B 0.0000
205 G B 0.0000
206 V B 0.2172
207 A B 0.0000
208 W B 0.0000
209 R B -1.5361
210 L B -0.1056
211 K B -0.5957
212 N B -1.6839
213 E B -1.9967
214 I B -0.0562
215 P B -0.4318
216 N B -1.3198
217 S B 0.0000
218 H B -0.1332
219 I B 0.1702
220 L B 0.0000
221 D B 0.0000
222 Q B 0.0000
223 Y B 0.0000
224 R B -0.5911
225 N B -0.3889
226 A B -0.0343
227 S B 0.0000
228 N B 0.0000
229 P B 0.0031
230 L B 0.1875
231 A B 0.0000
232 H B 0.0000
233 Y B 0.1619
234 D B 0.0000
235 T B -0.0108
236 T B 0.0000
237 A B 0.0000
238 D B -0.8148
239 E B 0.0000
240 I B 0.0000
241 L B 0.0000
242 Q B -1.3106
243 Q B -0.8277
244 C B 0.0000
245 D B -1.8430
246 G B -0.9373
247 K B -1.7540
248 L B 0.0000
249 D B -0.3540
250 M B 0.0000
251 L B 0.0000
252 V B 0.0000
253 A B 0.0000
254 S B -0.0211
255 V B 0.0000
256 G B -0.0693
257 T B 0.0000
258 G B 0.0000
259 G B 0.0000
260 T B -0.0097
261 I B 0.0000
262 T B 0.0000
263 G B 0.0000
264 I B 0.0000
265 A B 0.0000
266 R B -0.2663
267 K B -0.2161
268 L B 0.0000
269 K B -0.3505
270 E B -0.9328
271 K B -1.7927
272 C B -0.2815
273 P B -0.3533
274 G B -0.5132
275 C B 0.0000
276 R B -1.4587
277 I B 0.0000
278 I B 0.0000
279 G B 0.0000
280 V B 0.0000
281 D B 0.0000
282 P B 0.0000
283 E B -0.4840
284 G B -0.2107
285 S B 0.0000
286 I B 0.6809
287 L B 0.0000
288 A B 0.0000
289 E B -1.0012
290 P B -0.7919
291 E B -2.1819
292 E B -2.0317
293 L B 0.2743
294 N B -0.2274
295 Q B -1.2295
296 T B -0.6042
297 E B -1.9171
298 Q B -0.8340
299 T B -0.1868
300 T B -0.0553
301 Y B 0.0642
302 E B -0.3884
303 V B 0.0000
304 E B 0.0000
305 G B -0.1029
306 I B 0.0000
307 G B 0.0000
308 Y B -0.1338
309 D B -1.4429
310 F B 0.0000
311 I B 0.3859
312 P B 0.0000
313 T B -0.0616
314 V B 0.0000
315 L B 0.0000
316 D B -0.3230
317 R B -0.3775
318 T B -0.1291
319 V B 0.0000
320 V B 0.0000
321 D B -0.7550
322 K B -1.6263
323 W B 0.0000
324 F B 0.2431
325 K B -0.2737
326 S B 0.0000
327 N B -0.2416
328 D B 0.0000
329 E B -1.6734
330 E B -1.0859
331 A B 0.0000
332 F B 0.0000
333 T B -0.0485
334 F B 0.0000
335 A B 0.0000
336 R B -0.3608
337 M B 0.0644
338 L B 0.0000
339 I B 0.3217
340 A B 0.0470
341 Q B -0.4776
342 E B -0.4737
343 G B -0.4745
344 L B 0.0000
345 L B 1.3587
346 C B 0.0000
347 G B 0.0000
348 G B 0.0000
349 S B 0.0000
350 A B 0.0000
351 G B 0.0000
352 S B 0.0000
353 T B 0.0000
354 V B 0.0000
355 A B 0.0061
356 V B 0.0000
357 A B 0.0000
358 V B 0.0000
359 K B -1.6989
360 A B -0.3059
361 A B 0.0000
362 Q B -1.1762
363 E B -1.9749
364 L B 0.0000
365 Q B -1.6594
366 E B -1.9159
367 G B -0.4371
368 Q B -0.3546
369 R B -0.3235
370 C B 0.0000
371 V B 0.0000
372 V B 0.0000
373 I B 0.0000
374 L B 0.0000
375 P B -0.0306
376 D B 0.0000
377 S B -0.0285
378 V B 0.0000
379 R B -0.4884
380 N B 0.0000
381 Y B 0.0000
382 M B 0.4374
383 T B -0.0242
384 K B -0.2149
385 F B 0.0000
386 L B 0.5304
387 S B -0.1767
388 D B -1.4669
389 R B -2.0193
390 W B -0.3089
391 M B 0.0000
392 L B 0.0190
393 Q B -1.2960
394 K B -1.2339
395 G B -0.5520
396 F B 0.2448
397 L B -0.0005
398 K B -1.9847
399 E B -2.4644
400 E B -2.3220
401 D B -1.1716
402 L B 0.3024
403 T B -0.2632
404 E B -2.1359
405 K B -2.1987
406 K B -1.2375
407 P B -0.0963
408 W B 1.1868
409 W B 0.3952
410 W B -0.0271
411 H B -0.8965
412 L B -0.1585
413 R B -1.7770
414 V B 0.0000
415 Q B -1.0535
416 E B -1.9210
417 L B -0.2277
418 G B -0.3800
419 L B 0.1450
420 S B -0.1509
421 A B 0.0547
422 P B 0.0098
423 L B 0.2334
424 T B 0.0057
425 V B 0.0000
426 L B 0.5946
427 P B 0.0687
428 T B -0.0215
429 I B 0.2791
430 T B -0.0883
431 C B 0.0000
432 G B -0.2146
433 H B -0.7008
434 T B 0.0000
435 I B -0.1434
436 E B -1.7198
437 I B 0.0065
438 L B 0.0000
439 R B -2.2313
440 E B -2.4662
441 K B -2.1087
442 G B -0.8354
443 F B 0.4272
444 D B -1.6973
445 Q B -0.6611
446 A B 0.0000
447 P B 0.0000
448 V B 0.0000
449 V B 0.0000
450 D B -0.6416
451 E B -1.9010
452 A B -0.2906
453 G B 0.1022
454 V B 1.7480
455 I B 0.6430
456 L B 0.4802
457 G B 0.0000
458 M B 0.0000
459 V B 0.0000
460 T B -0.0263
461 L B 0.0982
462 G B -0.5251
463 N B -0.5836
464 M B 0.0000
465 L B 0.3751
466 S B -0.1411
467 S B -0.0107
468 L B 0.5662
469 L B 1.6080
470 A B 0.2419
471 G B -0.7725
472 K B -1.7861
473 V B 0.0000
474 Q B -1.2449
475 P B -0.5226
476 S B -0.3201
477 D B -0.5727
478 Q B -1.1500
479 V B 0.0000
480 G B -0.4694
481 K B -1.6907
482 V B -0.0631
483 I B 0.3780
484 Y B 0.2980
485 K B -1.8156
486 Q B -1.4316
487 F B 0.0728
488 K B -0.9303
489 Q B -1.3440
490 I B 0.0000
491 R B -0.2584
492 L B 0.1116
493 T B -0.0603
494 D B -0.2120
495 T B -0.2638
496 L B 0.0000
497 G B 0.0000
498 R B -1.8441
499 L B 0.0000
500 S B -0.1925
501 H B -0.8723
502 I B 0.0647
503 L B -0.1171
504 E B -1.5940
505 M B 0.6939
506 D B -0.1466
507 H B -0.9237
508 F B 0.0000
509 A B 0.0000
510 L B 0.0000
511 V B 0.0000
512 V B 0.0000
513 H B -1.0907
514 E B -1.9591
527 R B -1.9954
528 Q B -1.4242
529 M B 0.2655
530 V B 0.0000
531 F B 0.4131
532 G B 0.0000
533 V B 0.2252
534 V B 0.0000
535 T B 0.0000
536 A B 0.3622
537 I B 1.7973
538 D B -0.7941
539 L B 0.0000
540 L B 1.5078
541 N B -0.9439
542 F B 0.0565
543 V B 0.2017
544 A B -0.1185
545 A B -0.0784
546 Q B -0.9722
547 E B -2.2757
548 R B -2.5064
549 D B -2.3420
550 Q B -1.5155
41 P A -0.0677
42 L A 1.0432
43 W A 0.6675
44 I A 0.6314
45 R A -1.5068
46 P A 0.0000
47 D A -0.2989
48 A A -0.0899
49 P A -0.2879
50 S A -0.5799
51 R A -1.8340
52 C A -0.1150
53 T A 0.0064
54 W A -0.0629
55 Q A -0.9130
56 L A 1.0482
57 G A -0.5532
58 R A -1.9726
59 P A -0.5571
60 A A -0.0235
61 S A -0.5351
62 E A -1.8704
63 S A -0.4418
64 P A -0.3296
65 H A -0.5710
66 H A -1.1917
67 H A -0.9403
68 T A -0.1630
69 A A 0.0255
70 P A -0.1224
71 A A -0.2819
72 K A -1.7040
73 S A -0.4211
74 P A -0.4479
75 K A -1.5966
76 I A 0.0691
77 L A 0.0000
78 P A -0.1651
79 D A -0.3402
80 I A 0.0000
81 L A 0.0000
82 K A -1.2148
83 K A -0.4539
84 I A 0.1911
85 G A -0.3576
86 D A -1.8035
87 T A 0.0000
88 P A 0.0000
89 M A 0.0000
90 V A 0.0000
91 R A -0.8846
92 I A 0.0000
93 N A -0.3822
94 K A -0.4387
95 I A 0.0000
96 G A 0.0000
97 K A -2.0721
98 K A -1.8654
99 F A 0.3915
100 G A -0.5392
101 L A 0.0000
102 K A -1.8139
103 C A -0.5655
104 D A -0.7070 mutated: EA104D
105 L A 0.0000
106 L A 0.0000
107 A A 0.0000
108 K A 0.0000
109 C A 0.0000
110 E A 0.0000
111 F A 0.1830
112 F A 0.0000
113 N A 0.0000
114 A A 0.0000
115 G A 0.0000
116 G A -0.0212
117 S A 0.0000
118 V A 0.0000
119 K A -0.1867
120 D A 0.0000
121 R A 0.0000
122 I A 0.0000
123 S A 0.0000
124 L A 0.2592
125 R A 0.0000
126 M A 0.0000
127 I A 0.0000
128 E A -0.5769
129 D A -0.4560
130 A A 0.0000
131 E A -0.8552
132 R A -2.2613
133 D A -2.2177
134 G A -0.8085
135 T A -0.1272
136 L A 0.0000
137 K A -1.2518
138 P A -0.5606
139 G A -0.4982
140 D A 0.0000
141 T A 0.0000
142 I A 0.0000
143 I A 0.0000
144 E A 0.0000
145 P A 0.0000
146 T A 0.0000
147 S A 0.0000
148 G A 0.0000
149 N A 0.0000
150 T A 0.0000
151 G A 0.0000
152 I A 0.0000
153 G A 0.0000
154 L A 0.0000
155 A A 0.0000
156 L A 0.0000
157 A A 0.0000
158 A A 0.0000
159 A A 0.0458
160 V A 0.0660
161 R A -0.8358
162 G A -0.5872
163 Y A -0.2016
164 R A -0.9999
165 C A 0.0000
166 I A 0.0000
167 I A 0.0000
168 V A 0.0000
169 M A 0.0000
170 P A 0.0000
171 E A 0.0000
172 K A -0.3449
173 M A 0.0335
174 S A 0.0000
175 S A -0.1206
176 E A 0.0000
177 K A 0.0000
178 V A 0.0000
179 D A -0.2081
180 V A 0.0000
181 L A 0.0000
182 R A -0.3771
183 A A -0.0633
184 L A 0.0000
185 G A -0.4663
186 A A 0.0000
187 E A -0.7428
188 I A 0.0000
189 V A 0.1754
190 R A 0.0000
191 T A 0.0000
192 P A 0.0000
193 T A -0.2285
194 N A -1.0977
195 A A -0.2306
196 R A -0.1643
197 F A 0.0033
198 D A -0.7800
199 S A 0.0000
200 P A -0.1300
201 E A -0.1950
202 S A 0.0000
203 H A -0.1070
204 V A 0.0000
205 G A 0.0000
206 V A 0.0000
207 A A 0.0000
208 W A 0.0000
209 R A -0.7145
210 L A 0.0000
211 K A -0.5800
212 N A -1.3371
213 E A -0.9302
214 I A 0.0201
215 P A -0.4480
216 N A -1.3192
217 S A 0.0000
218 H A -0.1720
219 I A 0.0000
220 L A 0.0000
221 D A 0.0000
222 Q A 0.0000
223 Y A 0.0000
224 R A -1.2828
225 N A -0.4834
226 A A -0.0202
227 S A 0.0000
228 N A 0.0000
229 P A 0.0050
230 L A 0.1869
231 A A 0.0000
232 H A 0.0000
233 Y A 0.1532
234 D A 0.0000
235 T A -0.0910
236 T A 0.0000
237 A A 0.0000
238 D A -0.7949
239 E A 0.0000
240 I A 0.0000
241 L A 0.0000
242 Q A -1.2232
243 Q A -0.5569
244 C A 0.0000
245 D A -1.8295
246 G A -0.8489
247 K A -1.6618
248 L A 0.0000
249 D A -0.3615
250 M A 0.0000
251 L A 0.0000
252 V A 0.0000
253 A A 0.0000
254 S A -0.0221
255 V A 0.0000
256 G A -0.0526
257 T A 0.0000
258 G A 0.0000
259 G A 0.0000
260 T A -0.0082
261 I A 0.0000
262 T A 0.0000
263 G A 0.0000
264 I A 0.0000
265 A A 0.0000
266 R A -0.2638
267 K A -0.2148
268 L A 0.0000
269 K A -0.3646
270 E A -0.9329
271 K A -1.7908
272 C A -0.2768
273 P A -0.3514
274 G A -0.5134
275 C A 0.0000
276 R A -1.0235
277 I A 0.0000
278 I A 0.0000
279 G A 0.0000
280 V A 0.0000
281 D A 0.0000
282 P A 0.0000
283 E A -0.6981
284 G A -0.1964
285 S A 0.0000
286 I A 0.5330
287 L A 0.0000
288 A A 0.0000
289 E A -1.6500
290 P A -0.9261
291 E A -2.1740
292 E A -2.0503
293 L A 0.2132
294 N A 0.0000
295 Q A -1.2069
296 T A -0.6039
297 E A -2.0485
298 Q A -1.5455
299 T A -0.3037
300 T A -0.0174
301 Y A 0.0318
302 E A -0.5852
303 V A 0.0000
304 E A 0.0000
305 G A -0.0836
306 I A 0.0000
307 G A 0.0000
308 Y A 0.0579
309 D A -0.4873
310 F A 0.0000
311 I A 0.3940
312 P A 0.0000
313 T A -0.0090
314 V A 0.0000
315 L A 0.0000
316 D A -0.3100
317 R A -0.5231
318 T A -0.1576
319 V A 0.0000
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Laboratory of Theory of Biopolymers 2015