Project name: mDASPO [mutate: VA101T, LA161T, IA290L] [mutate: VA131E]

Status: done

submitted: 2018-02-20 15:36:47, status changed: 2018-02-20 15:47:50
Settings
Chain sequence(s) A: MDTVCIAVVGAGVIGLSTAACISQLVPGCTVTVISDRFTPDTTSNVAAGMLIPHTYADTPVPTQKRWFRETFEHLSEIAKSAEAADAGVHLVSGWQIFHSTPAEEVPFWADVVLGFRKMTEAELKRFPQYVFGQAFTTLKCETSAYLPWLERRIKGSGGLTLTWRIEDLWELQPSFDIVVNCSGLGSRRLVGDPMISPVRGQVLQARAPWVKHFIRDGGGLTYVYPGMSYVTLGGTRQKGDWNRSPDAELSREIFSRCCTLEPSLHRAYDIKEKVGLRPSRPGVRLQKELLVRGQQTLPVVHNYGHGSGGISVHWGSALEATRLVMECIHTLRTPASLSKL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA131E
Energy difference between WT (input) and mutated protein (by FoldX) -0.239499 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
-3.5989
Maximal score value
1.4415
Average score
-0.6329
Total score value
-215.8046

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 0.1117
2 D A -1.3416
3 T A -0.7954
4 V A 0.0000
5 C A -0.4190
6 I A 0.0000
7 A A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A -0.8090
11 A A 0.0000
12 G A -0.4042
13 V A 0.0000
14 I A 0.1616
15 G A 0.0000
16 L A 0.0000
17 S A 0.0000
18 T A 0.0000
19 A A 0.0000
20 A A -0.8059
21 C A 0.0000
22 I A 0.0000
23 S A -0.7183
24 Q A -1.2239
25 L A 0.0000
26 V A 0.0000
27 P A -0.6948
28 G A -0.9155
29 C A -0.6915
30 T A -0.2738
31 V A 0.0000
32 T A 0.7598
33 V A 0.0000
34 I A 0.0000
35 S A 0.0000
36 D A -3.2068
37 R A -2.9308
38 F A -1.1759
39 T A 0.0000
40 P A -0.8028
41 D A -1.3826
42 T A -1.0041
43 T A -0.4441
44 S A 0.0000
45 N A 0.0000
46 V A -0.1446
47 A A -0.0462
48 A A -0.0266
49 G A 0.0000
50 M A 0.0000
51 L A 0.0000
52 I A 0.1131
53 P A -0.2010
54 H A -0.4857
55 T A -0.3146
56 Y A 0.0114
57 A A -0.4555
58 D A -0.7808
59 T A -0.3502
60 P A -0.3154
61 V A -0.3039
62 P A -0.7114
63 T A -0.6888
64 Q A -0.8352
65 K A -1.2084
66 R A -1.4775
67 W A 0.0000
68 F A 0.0000
69 R A -1.9658
70 E A -1.6668
71 T A 0.0000
72 F A 0.0000
73 E A -2.7943
74 H A -2.1297
75 L A 0.0000
76 S A -1.9955
77 E A -2.8349
78 I A -1.9991
79 A A -1.8466
80 K A -2.3882
81 S A -1.6994
82 A A -1.4436
83 E A -2.5288
84 A A -2.0024
85 A A -1.6730
86 D A -2.4049
87 A A 0.0000
88 G A 0.0000
89 V A 0.0000
90 H A -0.7545
91 L A 0.4625
92 V A -0.0652
93 S A -0.0909
94 G A 0.0000
95 W A -0.2624
96 Q A 0.0000
97 I A 0.0000
98 F A -0.7229
99 H A -1.6583
100 S A -0.9251
101 T A -0.8324
102 P A -0.6329
103 A A -0.7040
104 E A -1.5287
105 E A 0.0000
106 V A -0.3872
107 P A -0.4330
108 F A -0.2821
109 W A 0.0000
110 A A -0.0326
111 D A -1.1498
112 V A 0.0000
113 V A 0.0000
114 L A 1.0458
115 G A 0.3904
116 F A 0.8651
117 R A -0.9617
118 K A -1.8852
119 M A 0.0000
120 T A -1.6789
121 E A -2.9468
122 A A -2.0280
123 E A -2.1594
124 L A -2.7380
125 K A -3.5989
126 R A -3.1816
127 F A 0.0000
128 P A -2.1559
129 Q A -2.2005
130 Y A -2.0022
131 E A -2.6291 mutated: VA131E
132 F A -1.2182
133 G A 0.0000
134 Q A 0.0000
135 A A 0.0000
136 F A 0.0000
137 T A 0.7546
138 T A 0.0000
139 L A 0.0000
140 K A 0.0000
141 C A 0.0000
142 E A -0.5256
143 T A 0.0000
144 S A -0.3558
145 A A -0.5046
146 Y A 0.0000
147 L A 0.0000
148 P A -1.0501
149 W A -1.7235
150 L A 0.0000
151 E A -1.8920
152 R A -3.3994
153 R A -3.4454
154 I A 0.0000
155 K A -2.7110
156 G A -2.3600
157 S A -1.7871
158 G A -0.9757
159 G A -0.5972
160 L A 1.2074
161 T A 0.9349
162 L A 0.7354
163 T A -0.7411
164 W A -1.3247
165 R A -2.9096
166 I A 0.0000
167 E A -2.1788
168 D A -1.8692
169 L A 0.0000
170 W A -0.2782
171 E A -1.6766
172 L A 0.0000
173 Q A -0.7685
174 P A -0.6352
175 S A -0.5848
176 F A -0.1426
177 D A -0.4511
178 I A 0.0000
179 V A 0.0000
180 V A 0.0000
181 N A 0.0000
182 C A 0.0000
183 S A -0.6800
184 G A -0.2927
185 L A -0.3975
186 G A -0.9720
187 S A 0.0000
188 R A -1.9250
189 R A -2.5333
190 L A 0.0000
191 V A -0.8993
192 G A -1.0938
193 D A 0.0000
194 P A -0.3170
195 M A 0.0219
196 I A 0.0000
197 S A -0.6261
198 P A 0.0000
199 V A -1.0190
200 R A 0.0000
201 G A 0.0000
202 Q A 0.0000
203 V A 0.0000
204 L A 0.0000
205 Q A -0.9566
206 A A 0.0000
207 R A -0.7616
208 A A 0.0000
209 P A -0.2797
210 W A -0.0202
211 V A -0.5986
212 K A -1.6858
213 H A -1.0505
214 F A 0.0000
215 I A 0.0000
216 R A 0.0000
217 D A 0.0000
218 G A -0.3652
219 G A -0.5644
220 G A -0.6073
221 L A -0.2074
222 T A 0.0000
223 Y A 0.0000
224 V A 0.0000
225 Y A 0.0000
226 P A 0.0000
227 G A -0.2559
228 M A 0.1428
229 S A 0.0553
230 Y A 0.1070
231 V A 0.0000
232 T A 0.0000
233 L A 0.0000
234 G A 0.0000
235 G A 0.0000
236 T A 0.0000
237 R A -1.3068
238 Q A -1.7152
239 K A -2.1761
240 G A -1.3954
241 D A -1.2110
242 W A -0.3106
243 N A -1.6090
244 R A -2.2318
245 S A -1.4982
246 P A -1.4360
247 D A -1.7584
248 A A -1.6705
249 E A -2.5949
250 L A -1.5468
251 S A -1.7575
252 R A -2.6645
253 E A -1.7243
254 I A 0.0000
255 F A -0.9059
256 S A -1.0575
257 R A -1.0132
258 C A 0.0000
259 C A 0.0000
260 T A -0.7469
261 L A 0.0000
262 E A -0.8648
263 P A -1.1104
264 S A -1.0715
265 L A 0.0000
266 H A -1.7836
267 R A -2.3037
268 A A -1.0898
269 Y A -0.2533
270 D A -1.3068
271 I A -0.9268
272 K A -2.1835
273 E A -1.8981
274 K A -1.3746
275 V A 0.0000
276 G A -0.5806
277 L A -0.6548
278 R A -0.6302
279 P A 0.0000
280 S A -0.5667
281 R A -0.3508
282 P A -0.3336
283 G A -0.1866
284 V A -0.0757
285 R A -0.3449
286 L A -0.4060
287 Q A -1.0854
288 K A -1.0451
289 E A -0.0849
290 L A 1.4415
291 L A 1.3545
292 V A 1.3045
293 R A -0.3494
294 G A -1.1229
295 Q A -1.5949
296 Q A -1.2653
297 T A 0.0910
298 L A 0.0000
299 P A 0.0000
300 V A 0.0000
301 V A 0.0000
302 H A 0.0000
303 N A 0.0000
304 Y A 0.0000
305 G A 0.0000
306 H A 0.0000
307 G A -0.4157
308 S A -0.4549
309 G A -0.2998
310 G A -0.1387
311 I A 0.0000
312 S A 0.0000
313 V A 0.0000
314 H A 0.0000
315 W A -0.2024
316 G A 0.0000
317 S A 0.0000
318 A A 0.0000
319 L A -0.0281
320 E A 0.0000
321 A A 0.0000
322 T A 0.0000
323 R A -0.9646
324 L A 0.0000
325 V A 0.0000
326 M A -0.4035
327 E A -0.9265
328 C A 0.0000
329 I A 0.0000
330 H A -0.8731
331 T A -0.5309
332 L A -0.3881
333 R A -1.7093
334 T A -0.8901
335 P A -0.8700
336 A A -0.5740
337 S A -0.4976
338 L A -0.7017
339 S A -0.8931
340 K A -1.6285
341 L A -0.7091

 

Laboratory of Theory of Biopolymers 2015