Project name: Mutant_aggregation

Status: done

submitted: 2018-12-12 09:07:30, status changed: 2018-12-12 09:20:45
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Chain sequence(s) A: MEKYVAAMVLSAAGDALGYYNGKWEFLQDGEKIHRQLAQLGGLDALDVGRWRVSDDTVMHLATAEALVEAGKAPKLTQLYYLLAKHYQDCMEDMDGRAPGGASVHNAMQLKPGKPNGWRIPFNSHEGGCGAAMRAMCIGLRFPHHSQLDTLIQVSIESGRMTHHHPTGYLGALASALFTAYAVNSRPPLQWGKGLMELLPEAKKYIVQSGYFVEENLQHWSYFQTKWENYLKLRGILDGESAPTFPESFGVKERDQFYTSLSYSGWGGSSGHDAPMIAYDAVLAAGDSWKELAHRAFFHGGDSDSTAAIAGCWWGVMYGFKGVSPSNYEKLEYRNRLEETTARALYSLGSKEDTVISL
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues AA293T
Energy difference between WT (input) and mutated protein (by FoldX) 2.75532 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
-2.1973
Maximal score value
1.7284
Average score
-0.2854
Total score value
-101.8831

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 0.4756
2 E A -1.7772
3 K A -1.6217
4 Y A 0.0000
5 V A 0.0000
6 A A 0.0000
7 A A 0.0000
8 M A 0.0000
9 V A 0.0000
10 L A 0.0000
11 S A 0.0000
12 A A 0.0000
13 A A 0.0000
14 G A 0.0000
15 D A 0.0000
16 A A 0.0000
17 L A 0.0000
18 G A 0.0000
19 Y A 0.0000
20 Y A 0.0301
21 N A -0.9466
22 G A -0.5503
23 K A -1.6112
24 W A 0.0000
25 E A 0.0000
26 F A 1.7284
27 L A 0.3203
28 Q A -1.3960
29 D A -1.4917
30 G A 0.0000
31 E A -0.6392
32 K A -1.4666
33 I A 0.0000
34 H A -0.4298
35 R A -2.0396
36 Q A -0.7677
37 L A 0.0000
38 A A -0.1727
39 Q A -1.0949
40 L A 0.4024
41 G A -0.3550
42 G A -0.1743
43 L A 0.0000
44 D A -1.2658
45 A A -0.1775
46 L A 0.0000
47 D A -0.5969
48 V A 0.0000
49 G A -0.6289
50 R A -1.8598
51 W A 0.0000
52 R A -0.5564
53 V A 0.0000
54 S A 0.0000
55 D A 0.0000
56 D A 0.0000
57 T A 0.0000
58 V A 0.0000
59 M A 0.0000
60 H A 0.0000
61 L A 0.0000
62 A A 0.0000
63 T A 0.0000
64 A A 0.0000
65 E A -0.2423
66 A A 0.0000
67 L A 0.0000
68 V A 0.1472
69 E A -1.7300
70 A A -0.3434
71 G A -0.3259
72 K A -1.2880
73 A A -0.1765
74 P A 0.0000
75 K A -1.3466
76 L A 0.0000
77 T A -0.1904
78 Q A -0.6711
79 L A 0.0000
80 Y A 0.0000
81 Y A 0.5058
82 L A 0.1581
83 L A 0.0000
84 A A 0.0000
85 K A -0.9186
86 H A -0.3299
87 Y A 0.0000
88 Q A -0.5951
89 D A -1.8239
90 C A -0.2488
91 M A 0.0000
92 E A -1.9240
93 D A -0.9043
94 M A 0.0000
95 D A -1.8753
96 G A -0.7958
97 R A 0.0000
98 A A 0.0055
99 P A -0.1261
100 G A -0.3290
101 G A -0.5063
102 A A -0.0735
103 S A 0.0000
104 V A 0.2116
105 H A -0.9470
106 N A -0.4624
107 A A 0.0000
108 M A 0.3137
109 Q A -1.1175
110 L A 0.0000
111 K A -1.3425
112 P A -0.4035
113 G A -0.7995
114 K A -1.8428
115 P A -0.7871
116 N A -1.2586
117 G A -0.6663
118 W A 0.0000
119 R A -0.2697
120 I A 0.0000
121 P A -0.2135
122 F A 0.0400
123 N A -0.7688
124 S A -0.5345
125 H A -1.0291
126 E A 0.0000
127 G A -0.0708
128 G A -0.1387
129 C A 0.0000
130 G A 0.0000
131 A A 0.0000
132 A A 0.0000
133 M A 0.0000
134 R A 0.0000
135 A A 0.0000
136 M A 0.0000
137 C A 0.0000
138 I A 0.0000
139 G A 0.0000
140 L A 0.0000
141 R A 0.0000
142 F A 0.0000
143 P A 0.0000
144 H A -0.4218
145 H A -1.0727
146 S A -0.3921
147 Q A 0.0000
148 L A -0.0665
149 D A -1.7422
150 T A 0.0000
151 L A 0.0000
152 I A 0.0000
153 Q A -0.1379
154 V A 0.0000
155 S A 0.0000
156 I A 0.0000
157 E A 0.0000
158 S A 0.0000
159 G A 0.0000
160 R A 0.0000
161 M A 0.0000
162 T A 0.0000
163 H A 0.0000
164 H A 0.0000
165 H A 0.0000
166 P A 0.0000
167 T A 0.0000
168 G A 0.0000
169 Y A 0.0000
170 L A 0.0000
171 G A 0.0000
172 A A 0.0000
173 L A 0.0000
174 A A 0.0000
175 S A 0.0000
176 A A 0.0000
177 L A 0.0000
178 F A 0.0000
179 T A 0.0000
180 A A 0.0000
181 Y A 0.1467
182 A A 0.0000
183 V A 0.2814
184 N A -1.2144
185 S A -0.6390
186 R A -1.1423
187 P A -0.3397
188 P A -0.0068
189 L A 0.3106
190 Q A -0.1875
191 W A 0.0000
192 G A 0.0000
193 K A -0.6426
194 G A -0.1746
195 L A 0.0000
196 M A -0.1956
197 E A -1.7940
198 L A 0.0000
199 L A 0.0000
200 P A -0.5411
201 E A -1.2270
202 A A 0.0000
203 K A -1.0632
204 K A -1.8064
205 Y A -0.1680
206 I A 0.0000
207 V A 0.5156
208 Q A -1.0715
209 S A -0.3641
210 G A -0.3830
211 Y A 0.5733
212 F A 0.9113
213 V A 0.0737
214 E A -1.9370
215 E A -1.2434
216 N A 0.0000
217 L A 0.5341
218 Q A -1.1157
219 H A -0.5093
220 W A 0.0000
221 S A -0.1633
222 Y A 0.2340
223 F A 0.0000
224 Q A -0.4588
225 T A -0.1721
226 K A -0.2988
227 W A 0.0000
228 E A -0.7541
229 N A -1.3684
230 Y A 0.0000
231 L A 0.0000
232 K A -1.4968
233 L A 1.0079
234 R A 0.0000
235 G A -0.5220
236 I A 0.0000
237 L A 0.2270
238 D A -1.6893
239 G A 0.0000
240 E A -1.8377
241 S A -0.4238
242 A A 0.0304
243 P A -0.0589
244 T A -0.0019
245 F A 0.3974
246 P A -0.3648
247 E A -1.8784
248 S A -0.5133
249 F A 0.1317
250 G A -0.1496
251 V A -0.0922
252 K A -1.8325
253 E A -1.2984
254 R A 0.0000
255 D A -0.3929
256 Q A -1.1845
257 F A 0.0038
258 Y A 0.0000
259 T A -0.0700
260 S A -0.1939
261 L A 0.0000
262 S A 0.1825
263 Y A 1.0869
264 S A -0.0814
265 G A -0.3830
266 W A 0.3660
267 G A 0.0000
268 G A 0.0000
269 S A -0.0555
270 S A 0.0000
271 G A 0.0000
272 H A 0.0000
273 D A 0.0000
274 A A 0.0000
275 P A 0.0000
276 M A 0.0000
277 I A 0.0000
278 A A 0.0000
279 Y A 0.0000
280 D A 0.0000
281 A A 0.0000
282 V A 0.0000
283 L A 0.1785
284 A A 0.0495
285 A A 0.0000
286 G A -0.5275
287 D A -1.8372
288 S A -0.3858
289 W A 0.0000
290 K A -1.2018
291 E A -1.3151
292 L A 0.0000
293 T A 0.0000 mutated: AA293T
294 H A -0.2766
295 R A -0.3352
296 A A 0.0000
297 F A 0.0000
298 F A 0.0000
299 H A 0.0000
300 G A -0.4178
301 G A 0.0000
302 D A -0.2321
303 S A 0.0000
304 D A 0.0000
305 S A 0.0000
306 T A 0.0000
307 A A 0.0000
308 A A 0.0000
309 I A 0.0000
310 A A 0.0000
311 G A 0.0000
312 C A 0.0000
313 W A 0.0000
314 W A 0.0000
315 G A 0.0000
316 V A 0.0000
317 M A 0.1741
318 Y A 0.2550
319 G A 0.0000
320 F A -0.0018
321 K A -1.7301
322 G A -0.7814
323 V A 0.0000
324 S A -0.0725
325 P A -0.2440
326 S A -0.1725
327 N A 0.0000
328 Y A -0.0729
329 E A -1.6240
330 K A -1.9556
331 L A 0.0000
332 E A -0.3599
333 Y A 0.0771
334 R A -0.8656
335 N A -1.5126
336 R A -0.8572
337 L A 0.0000
338 E A -0.7134
339 E A -1.8895
340 T A 0.0000
341 A A 0.0000
342 R A -1.8416
343 A A -0.3268
344 L A 0.0000
345 Y A 0.3722
346 S A -0.1367
347 L A 0.0000
348 G A 0.0000
349 S A -0.3936
350 K A -2.0614
351 E A -2.1973
352 D A -0.6275
353 T A -0.0871
354 V A 0.3831
355 I A 0.9155
356 S A 0.2771
357 L A 1.5085

 

Laboratory of Theory of Biopolymers 2015