Project name: Mutant_aggregation

Status: done

submitted: 2018-12-19 11:59:05, status changed: 2018-12-19 12:11:14
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Chain sequence(s) A: PRLICINDYEQHAKSVLPKSIYDYYRSGANDEETLADNIAAFSSRWKLYPRMLRNVAETDLSTSVLGQRVSMPICVGATAMQRMAHVVDGELATVRACQSLGTGMMLSSWATSSIEEVAEAGPEALRWLQLYIYKDREVTKKLVRQAEKMGYKAIFVTVDTPYLGNRLDDVRNRFKLPPQLRMKNFETSTLSFSPEENFGDDSGLAAYVAKAIDPSISWEDIKWLRRLTSLPIVAKGILRGDDAREAVKHGLNGILVSNHGARQLDGVPATIDVLPEIVEAVEGKVEVFLDGGVRKGTDVLKALALGAKAVFVGRPIVWGLAFQGEKGVQDVLEILKEEFRLAMALSGCQNVKVIDKTLVRK
Distance of aggregation 5 Å
Dynamic mode No
Mutated residues RA137Q
Energy difference between WT (input) and mutated protein (by FoldX) 2.30977 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
-2.2016
Maximal score value
2.0761
Average score
-0.3176
Total score value
-114.3486

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
3 P A -0.5910
4 R A -1.8510
5 L A 0.2494
6 I A 2.0761
7 C A 0.4992
8 I A 0.0000
9 N A -1.3745
10 D A -0.7908
11 Y A 0.0000
12 E A -0.7374
13 Q A -1.3183
14 H A -0.3552
15 A A 0.0000
16 K A -1.7393
17 S A -0.2627
18 V A 1.4506
19 L A 0.3672
20 P A -0.5350
21 K A -1.7601
22 S A -0.3882
23 I A 0.0000
24 Y A 0.0000
25 D A -0.1752
26 Y A 0.0000
27 Y A 0.0000
28 R A -0.3573
29 S A 0.0000
30 G A 0.0000
31 A A 0.0000
32 N A -1.4579
33 D A -2.0544
34 E A -0.9641
35 E A -1.8792
36 T A 0.0000
37 L A 0.1450
38 A A -0.0031
39 D A -0.4911
40 N A 0.0000
41 I A 1.1628
42 A A 0.1741
43 A A 0.0000
44 F A 0.0000
45 S A -0.3665
46 R A -0.8913
47 W A 0.0000
48 K A -1.6459
49 L A 0.2248
50 Y A 1.3359
51 P A -0.0868
52 R A -0.6457
53 M A 1.1861
54 L A 1.5728
55 R A -0.8646
56 N A -1.3401
57 V A 0.3199
58 A A -0.1763
59 E A -1.8117
60 T A -0.6346
61 D A -1.2281
62 L A 0.0000
63 S A -0.0412
64 T A 0.0000
65 S A -0.3446
66 V A 0.0000
67 L A 0.1789
68 G A -0.5273
69 Q A -1.0281
70 R A -1.9638
71 V A 0.0000
72 S A -0.0763
73 M A 0.0000
74 P A 0.0000
75 I A 0.0000
76 C A 0.0000
77 V A 0.0000
78 G A 0.0000
79 A A 0.0105
80 T A -0.0070
81 A A 0.0000
82 M A 0.0000
83 Q A 0.0000
84 R A -0.2826
85 M A 0.0000
86 A A 0.0000
87 H A 0.0696
88 V A 1.5161
89 D A -0.8472
90 G A 0.0000
91 E A 0.0000
92 L A 0.2847
93 A A 0.0000
94 T A 0.0000
95 V A 0.0000
96 R A -1.4212
97 A A 0.0000
98 C A 0.0000
99 Q A -0.4525
100 S A -0.2610
101 L A 0.0522
102 G A -0.2883
103 T A 0.0000
104 G A 0.0000
105 M A 0.0000
106 M A 0.0000
107 L A 0.0000
108 S A 0.0000
109 S A 0.0000
110 W A 0.0000
111 A A 0.0000
112 T A 0.0000
113 S A 0.0000
114 S A -0.2098
115 I A 0.0000
116 E A -1.2669
117 E A -0.7241
118 V A 0.0000
119 A A 0.0000
120 E A -1.8199
121 A A 0.0000
122 G A 0.0000
123 P A -0.5768
124 E A -1.8648
125 A A 0.0000
126 L A 0.1555
127 R A 0.0000
128 W A 0.0000
129 L A 0.0000
130 Q A 0.0000
131 L A 0.0000
132 Y A 0.0000
133 I A 0.0000
134 Y A 0.0000
135 K A -1.1627
136 D A -1.6263
137 Q A -1.6202 mutated: RA137Q
138 E A -2.0411
139 V A -0.1182
140 T A 0.0000
141 K A -1.0537
142 K A -1.3787
143 L A 0.0000
144 V A 0.0000
145 R A -0.8254
146 Q A -0.5157
147 A A 0.0000
148 E A -0.8855
149 K A -1.7851
150 M A -0.1210
151 G A -0.1234
152 Y A 0.0000
153 K A -1.1805
154 A A 0.0000
155 I A 0.0000
156 F A 0.0000
157 V A 0.0000
158 T A 0.0000
159 V A 0.4451
160 D A -0.0913
161 T A 0.0000
162 P A 0.0875
163 Y A 1.3215
164 L A 0.4010
165 G A -0.2481
166 N A -1.2813
167 R A 0.0000
168 L A 0.3342
169 D A -0.5361
170 D A 0.0000
171 V A -0.1079
172 R A -1.8381
173 N A -0.8300
174 R A -1.8733
175 F A 0.0000
176 K A -1.7000
177 L A 0.0000
178 P A -0.0843
179 P A -0.4808
180 Q A -1.2449
181 L A 0.0000
182 R A -0.4834
183 M A 0.0000
184 K A -1.2087
185 N A 0.0000
186 F A -0.1390
187 E A -1.7927
188 T A -0.4197
189 S A -0.2137
190 T A -0.0222
191 L A 0.1967
192 S A 0.0000
193 F A 0.0000
194 S A 0.0000
195 P A -0.3573
196 E A -1.9626
197 E A -1.3239
198 N A -1.4123
199 F A 0.0000
200 G A -0.7989
201 D A -2.2016
202 D A -2.0651
203 S A 0.0000
204 G A 0.0000
205 L A 0.0000
206 A A 0.0184
207 A A 0.0131
208 Y A 0.0000
209 V A 0.0000
210 A A -0.2143
211 K A -1.4306
212 A A 0.0000
213 I A 0.0000
214 D A -0.3671
215 P A -0.2142
216 S A -0.1602
217 I A 0.3458
218 S A -0.0077
219 W A -0.1195
220 E A -1.9211
221 D A -0.6563
222 I A 0.0000
223 K A -0.8897
224 W A 0.0784
225 L A 0.0000
226 R A -0.6498
227 R A -1.8741
228 L A -0.1870
229 T A 0.0000
230 S A -0.1743
231 L A 0.1662
232 P A -0.0172
233 I A 0.0000
234 V A 0.0000
235 A A 0.0000
236 K A 0.0000
237 G A 0.0000
238 I A 0.0000
239 L A -0.0971
240 R A -1.8100
241 G A -0.7135
242 D A -1.9204
243 D A -1.0798
244 A A 0.0000
245 R A -0.9396
246 E A -1.1414
247 A A 0.0000
248 V A 0.0000
249 K A -1.7966
250 H A -0.4868
251 G A -0.3517
252 L A 0.0000
253 N A -0.6603
254 G A 0.0000
255 I A 0.0000
256 L A 0.0000
257 V A 0.0000
258 S A 0.0000
259 N A 0.0000
260 H A -0.1668
261 G A -0.1040
262 A A 0.0000
263 R A -0.1806
264 Q A 0.0000
265 L A 1.4458
266 D A -0.3548
267 G A -0.5180
268 V A 0.1477
269 P A -0.1438
270 A A 0.0000
271 T A 0.0000
272 I A 0.0000
273 D A -0.3457
274 V A 0.1130
275 L A 0.0000
276 P A -0.3668
277 E A -1.8271
278 I A 0.0000
279 V A 0.0703
280 E A -1.7461
281 A A -0.3180
282 V A 0.0000
283 E A -1.9044
284 G A -1.1068
285 K A -1.7473
286 V A -0.1710
287 E A -0.2830
288 V A 0.0000
289 F A 0.0000
290 L A 0.0000
291 D A 0.0000
292 G A -0.0589
293 G A 0.0000
294 V A 0.0000
295 R A -0.2772
296 K A -0.4488
297 G A 0.0000
298 T A -0.0225
299 D A 0.0000
300 V A 0.0000
301 L A 0.0000
302 K A 0.0000
303 A A 0.0000
304 L A 0.0000
305 A A 0.0000
306 L A 0.0000
307 G A -0.3010
308 A A 0.0000
309 K A -0.7122
310 A A 0.0000
311 V A 0.0000
312 F A 0.0000
313 V A 0.0000
314 G A -0.1785
315 R A -0.2066
316 P A 0.0000
317 I A 0.0000
318 V A 0.0000
319 W A 0.0000
320 G A 0.0000
321 L A 0.0000
322 A A 0.0577
323 F A 0.0661
324 Q A -1.1471
325 G A 0.0000
326 E A -1.2514
327 K A -1.6490
328 G A 0.0000
329 V A 0.0000
330 Q A -0.5573
331 D A -0.3525
332 V A 0.0000
333 L A 0.0000
334 E A -1.5138
335 I A 0.0024
336 L A 0.0000
337 K A -0.9768
338 E A -1.5047
339 E A -0.6529
340 F A 0.0000
341 R A -0.6501
342 L A 1.0378
343 A A 0.0000
344 M A 0.0000
345 A A 0.3289
346 L A 1.1102
347 S A 0.0000
348 G A 0.0000
349 C A 0.0000
350 Q A -0.6172
351 N A -0.4939
352 V A -0.1550
353 K A -1.5615
354 V A 0.2387
355 I A 0.0000
356 D A -1.0073
357 K A -1.8370
358 T A -0.3522
359 L A 0.0000
360 V A 0.0000
361 R A -1.8406
362 K A -1.9805

 

Laboratory of Theory of Biopolymers 2015