Project name: mDASPO [mutate: IA290L]

Status: done

submitted: 2018-02-20 16:43:17, status changed: 2018-02-20 16:53:04
Settings
Chain sequence(s) A: MDTVCIAVVGAGVIGLSTAACISQLVPGCTVTVISDRFTPDTTSNVAAGMLIPHTYADTPVPTQKRWFRETFEHLSEIAKSAEAADAGVHLVSGWQIFHSVPAEEVPFWADVVLGFRKMTEAELKRFPQYVFGQAFTTLKCETSAYLPWLERRIKGSGGLLLTWRIEDLWELQPSFDIVVNCSGLGSRRLVGDPMISPVRGQVLQARAPWVKHFIRDGGGLTYVYPGMSYVTLGGTRQKGDWNRSPDAELSREIFSRCCTLEPSLHRAYDIKEKVGLRPSRPGVRLQKEILVRGQQTLPVVHNYGHGSGGISVHWGSALEATRLVMECIHTLRTPASLSKL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues IA290L
Energy difference between WT (input) and mutated protein (by FoldX) -0.392933 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
-3.5612
Maximal score value
1.6675
Average score
-0.5729
Total score value
-195.3426

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 0.1118
2 D A -1.3415
3 T A -0.7954
4 V A 0.0000
5 C A -0.4188
6 I A 0.0000
7 A A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A -0.7762
11 A A 0.0000
12 G A -0.3943
13 V A 0.0000
14 I A 0.1618
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 -0.8391
21 C A 0.0000
22 I A 0.0000
23 S A -0.7083
24 Q A -1.2251
25 L A 0.0000
26 V A 0.0000
27 P A -0.6892
28 G A -0.9130
29 C A -0.6884
30 T A -0.2774
31 V A 0.0000
32 T A 0.8017
33 V A 0.0000
34 I A 0.0000
35 S A 0.0000
36 D A -3.1900
37 R A -2.8908
38 F A -1.0716
39 T A 0.0000
40 P A -0.7844
41 D A -1.3696
42 T A -1.0037
43 T A -0.4869
44 S A 0.0000
45 N A 0.0000
46 V A -0.1675
47 A A -0.0622
48 A A -0.0260
49 G A 0.0000
50 M A 0.0000
51 L A 0.0000
52 I A 0.1142
53 P A -0.1996
54 H A -0.4813
55 T A -0.3114
56 Y A 0.0155
57 A A -0.4543
58 D A -0.7818
59 T A -0.3496
60 P A -0.3150
61 V A -0.3031
62 P A -0.7121
63 T A -0.6900
64 Q A -0.8369
65 K A -1.2118
66 R A -1.4813
67 W A 0.0000
68 F A 0.0000
69 R A -1.9737
70 E A -1.6638
71 T A 0.0000
72 F A 0.0000
73 E A -2.7935
74 H A -2.1251
75 L A 0.0000
76 S A -1.9922
77 E A -2.8333
78 I A -1.9979
79 A A -1.8438
80 K A -2.3872
81 S A -1.6995
82 A A -1.4436
83 E A -2.5288
84 A A -2.0013
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 -0.7492
91 L A 0.4718
92 V A -0.0666
93 S A -0.0968
94 G A 0.0000
95 W A -0.2621
96 Q A 0.0000
97 I A 0.0000
98 F A 0.6496
99 H A 0.0479
100 S A 1.0310
101 V A 1.6675
102 P A 0.2544
103 A A -0.2085
104 E A -1.2806
105 E A 0.0000
106 V A -0.1729
107 P A -0.4309
108 F A -0.2794
109 W A 0.0000
110 A A -0.0243
111 D A -1.1456
112 V A 0.0000
113 V A 0.0000
114 L A 1.0716
115 G A 0.4037
116 F A 0.8763
117 R A -0.9521
118 K A -1.7132
119 M A 0.0000
120 T A -1.6741
121 E A -2.3990
122 A A -2.0163
123 E A -2.1453
124 L A -1.8279
125 K A -3.0779
126 R A -3.1713
127 F A 0.0000
128 P A -1.5097
129 Q A -1.4142
130 Y A -0.2474
131 V A 1.3018
132 F A 1.1085
133 G A 0.0000
134 Q A 0.0000
135 A A 0.0000
136 F A 0.0000
137 T A 0.7628
138 T A 0.0000
139 L A 0.0000
140 K A 0.0000
141 C A 0.0000
142 E A -0.5248
143 T A 0.0000
144 S A -0.3552
145 A A -0.5101
146 Y A 0.0000
147 L A 0.0000
148 P A -1.0632
149 W A -1.7741
150 L A 0.0000
151 E A -2.0029
152 R A -3.5346
153 R A -3.5612
154 I A 0.0000
155 K A -3.0084
156 G A -2.5198
157 S A -1.8998
158 G A -1.0587
159 G A -0.6758
160 L A 1.1925
161 L A 1.0672
162 L A 0.8236
163 T A -0.6831
164 W A -1.3029
165 R A -2.9069
166 I A 0.0000
167 E A -2.1744
168 D A -1.8684
169 L A 0.0000
170 W A -0.2742
171 E A -1.6663
172 L A 0.0000
173 Q A -0.7666
174 P A -0.6337
175 S A -0.5841
176 F A -0.1424
177 D A -0.4514
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 -0.6901
184 G A -0.3147
185 L A -0.4408
186 G A -1.0122
187 S A 0.0000
188 R A -1.9641
189 R A -2.5985
190 L A 0.0000
191 V A -0.9224
192 G A -1.1147
193 D A 0.0000
194 P A -0.3197
195 M A 0.0186
196 I A 0.0000
197 S A -0.6465
198 P A 0.0000
199 V A -1.0693
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 -0.9531
206 A A 0.0000
207 R A -0.7547
208 A A 0.0000
209 P A -0.2784
210 W A -0.0185
211 V A -0.6010
212 K A -1.6927
213 H A -1.0647
214 F A 0.0000
215 I A 0.0000
216 R A 0.0000
217 D A 0.0000
218 G A -0.3648
219 G A -0.5641
220 G A -0.6081
221 L A -0.2065
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 -0.2573
228 M A 0.1428
229 S A 0.0553
230 Y A 0.1100
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 -1.3275
238 Q A -1.7291
239 K A -2.1936
240 G A -1.3956
241 D A -1.2054
242 W A -0.2996
243 N A -1.5468
244 R A -2.2185
245 S A -1.4721
246 P A -1.4202
247 D A -1.7436
248 A A -1.6700
249 E A -2.5954
250 L A -1.5474
251 S A -1.7599
252 R A -2.6673
253 E A -1.7301
254 I A 0.0000
255 F A -0.9062
256 S A -1.0566
257 R A -1.0058
258 C A 0.0000
259 C A 0.0000
260 T A -0.7429
261 L A 0.0000
262 E A -0.8616
263 P A -1.1077
264 S A -1.0688
265 L A 0.0000
266 H A -1.7831
267 R A -2.3010
268 A A -1.0835
269 Y A -0.2424
270 D A -1.2870
271 I A -0.9132
272 K A -2.1807
273 E A -1.9042
274 K A -1.3811
275 V A 0.0000
276 G A -0.6442
277 L A 0.0000
278 R A -0.7057
279 P A 0.0000
280 S A -0.5882
281 R A -0.3515
282 P A -0.3337
283 G A -0.1860
284 V A -0.0662
285 R A -0.3276
286 L A -0.3734
287 Q A -1.0214
288 K A -1.0186
289 E A -0.0542
290 L A 1.4559 mutated: IA290L
291 L A 1.3633
292 V A 1.3100
293 R A -0.3456
294 G A -1.1221
295 Q A -1.5955
296 Q A -1.2671
297 T A 0.0929
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 -0.4346
308 S A -0.4697
309 G A -0.2984
310 G A -0.1381
311 I A 0.0000
312 S A 0.0000
313 V A 0.0000
314 H A 0.0000
315 W A -0.1916
316 G A 0.0000
317 S A 0.0000
318 A A 0.0000
319 L A -0.0205
320 E A 0.0000
321 A A 0.0000
322 T A 0.0000
323 R A -0.9800
324 L A 0.0000
325 V A 0.0000
326 M A -0.4312
327 E A -0.9288
328 C A 0.0000
329 I A 0.0000
330 H A -0.8763
331 T A -0.5329
332 L A -0.3896
333 R A -1.7107
334 T A -0.8919
335 P A -0.8727
336 A A -0.5758
337 S A -0.5299
338 L A -0.7522
339 S A -0.9710
340 K A -1.7210
341 L A -0.8864

 

Laboratory of Theory of Biopolymers 2015