Project name: hDASPO [mutate: VA131G, WA160E, LA244E]

Status: done

submitted: 2018-02-20 15:56:46, status changed: 2018-02-20 16:08:18
Settings
Chain sequence(s) A: MDTARIAVVGAGVVGLSTAVCISKLVPRCSVTIISDKFTPDTTSDVAAGMLIPHTYPDTPIHTQKQWFRETFNHLFAIANSAEAGDAGVHLVSGWQIFQSTPTEEVPFWADVVLGFRKMTEAELKKFPQYVFGQAFTTLKCECPAYLPWLEKRIKGSGGWTLTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLQVQAPWVEHFIRDGSGLTYIYPGTSHVTLGGTRQKGDWNLSPDAENSREILSRCCALEPSLHGACNIREKVGLRPYRPGVRLQTELLARDGQRLPVVHHYGHGSGGISVHWGTALEAARLVSECVHALRTPIPKSNL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA131G, WA160E, LA244E
Energy difference between WT (input) and mutated protein (by FoldX) 3.19765 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
-3.2948
Maximal score value
0.9712
Average score
-0.7416
Total score value
-252.8983

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 0.6641
2 D A -0.3478
3 T A -0.4900
4 A A 0.0000
5 R A -0.8456
6 I A 0.0000
7 A A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A -0.7236
11 A A 0.0000
12 G A -0.4266
13 V A 0.0000
14 V A 0.1664
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 V A 0.0000
21 C A 0.0000
22 I A 0.0000
23 S A 0.0000
24 K A -1.7335
25 L A 0.0000
26 V A 0.0000
27 P A -1.5801
28 R A -2.1077
29 C A -1.2255
30 S A -0.7850
31 V A 0.0000
32 T A 0.0000
33 I A 0.0000
34 I A 0.0000
35 S A 0.0000
36 D A -3.1088
37 K A -2.4990
38 F A -1.2709
39 T A -0.9682
40 P A -1.2413
41 D A -2.2925
42 T A -1.3424
43 T A -0.6224
44 S A -0.3764
45 D A 0.0000
46 V A -0.4104
47 A A -0.0727
48 A A 0.0227
49 G A 0.0000
50 M A -0.0038
51 L A 0.0000
52 I A 0.0000
53 P A 0.0000
54 H A -0.1142
55 T A 0.0257
56 Y A 0.4263
57 P A -0.7533
58 D A -1.8404
59 T A -0.9072
60 P A -0.8993
61 I A -0.9857
62 H A -1.8501
63 T A -1.4464
64 Q A 0.0000
65 K A -2.0212
66 Q A -2.4027
67 W A 0.0000
68 F A 0.0000
69 R A -3.2518
70 E A -2.6482
71 T A 0.0000
72 F A 0.0000
73 N A -1.6012
74 H A -0.9464
75 L A 0.0000
76 F A -0.0253
77 A A -0.2324
78 I A -0.3713
79 A A 0.0000
80 N A -1.3290
81 S A -0.7763
82 A A -0.8837
83 E A -1.4136
84 A A -1.3650
85 G A -1.7784
86 D A -2.0320
87 A A 0.0000
88 G A 0.0000
89 V A 0.0000
90 H A -0.9654
91 L A -0.0633
92 V A 0.0000
93 S A -0.2337
94 G A 0.0000
95 W A -0.2101
96 Q A 0.0000
97 I A 0.0000
98 F A -0.5664
99 Q A -1.3840
100 S A -0.7183
101 T A -0.4795
102 P A -0.5660
103 T A -0.6266
104 E A -1.1016
105 E A 0.0000
106 V A -0.3583
107 P A -0.3928
108 F A -0.8040
109 W A 0.0000
110 A A -0.5050
111 D A -1.5538
112 V A -1.2201
113 V A 0.0000
114 L A 0.9712
115 G A -0.0982
116 F A -0.2669
117 R A -0.8719
118 K A -1.0074
119 M A 0.0000
120 T A -1.4034
121 E A -2.5962
122 A A -1.9836
123 E A -1.9918
124 L A 0.0000
125 K A -3.2948
126 K A -3.0630
127 F A 0.0000
128 P A -1.7786
129 Q A -1.6199
130 Y A 0.0000
131 G A -1.2729 mutated: VA131G
132 F A -0.6319
133 G A 0.0000
134 Q A 0.0000
135 A A 0.0000
136 F A 0.0000
137 T A 0.4241
138 T A 0.0000
139 L A 0.0000
140 K A 0.0000
141 C A 0.0000
142 E A -0.6658
143 C A 0.0000
144 P A -0.5103
145 A A -0.5867
146 Y A 0.0000
147 L A 0.0000
148 P A -0.7750
149 W A -1.0810
150 L A 0.0000
151 E A -1.5947
152 K A -2.1812
153 R A -1.9768
154 I A 0.0000
155 K A -2.5260
156 G A -1.9408
157 S A -1.7588
158 G A -1.5146
159 G A 0.0000
160 E A -1.9031 mutated: WA160E
161 T A -0.7318
162 L A -0.2900
163 T A -1.0738
164 R A -2.3117
165 R A -3.2311
166 I A 0.0000
167 E A -3.1091
168 D A -2.5328
169 L A 0.0000
170 W A -1.2479
171 E A -1.5978
172 L A 0.0000
173 H A 0.0000
174 P A -0.7398
175 S A -0.6736
176 F A -0.9003
177 D A -1.7440
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 -0.4669
184 G A -0.0866
185 L A 0.0910
186 G A -0.6416
187 S A 0.0000
188 R A -1.4451
189 Q A -1.7086
190 L A -1.3621
191 A A -1.1109
192 G A -1.2196
193 D A -1.2670
194 S A -1.0990
195 K A -1.5017
196 I A 0.0000
197 F A -0.0188
198 P A 0.0000
199 V A 0.0000
200 R A 0.0000
201 G A 0.0000
202 Q A 0.0000
203 V A -0.4633
204 L A 0.0000
205 Q A -1.6353
206 V A 0.0000
207 Q A -1.2769
208 A A 0.0000
209 P A -0.4456
210 W A 0.3029
211 V A -0.5696
212 E A -1.6702
213 H A -0.9974
214 F A 0.0000
215 I A 0.0000
216 R A -0.3030
217 D A -0.4481
218 G A -0.6054
219 S A -0.9114
220 G A -0.8809
221 L A -0.2468
222 T A 0.0000
223 Y A -0.0579
224 I A 0.0000
225 Y A 0.0000
226 P A 0.0000
227 G A -0.9319
228 T A -0.8495
229 S A -0.6992
230 H A -1.0450
231 V A 0.0000
232 T A -0.7256
233 L A 0.0000
234 G A 0.0000
235 G A 0.0000
236 T A -1.4228
237 R A -2.8363
238 Q A -2.6474
239 K A -2.4076
240 G A -1.3106
241 D A -1.4263
242 W A -0.3959
243 N A -1.7146
244 E A -2.3439 mutated: LA244E
245 S A -1.6389
246 P A -1.6971
247 D A -2.3173
248 A A -1.9855
249 E A -3.0284
250 N A 0.0000
251 S A -2.2372
252 R A -3.2002
253 E A -2.6939
254 I A 0.0000
255 L A -1.3332
256 S A -1.3540
257 R A -0.9710
258 C A 0.0000
259 C A -0.7057
260 A A -0.5415
261 L A 0.0000
262 E A -0.8921
263 P A -0.8593
264 S A -0.5928
265 L A 0.0000
266 H A -1.3456
267 G A -1.0773
268 A A -0.7358
269 C A -0.6370
270 N A -1.7860
271 I A -1.3894
272 R A -2.4905
273 E A -1.9817
274 K A -1.6534
275 V A 0.0000
276 G A 0.0000
277 L A 0.0000
278 R A -0.6175
279 P A 0.0622
280 Y A 0.0633
281 R A -0.4676
282 P A -0.5279
283 G A -0.4252
284 V A 0.0000
285 R A -0.6945
286 L A -0.5820
287 Q A -1.1682
288 T A -0.7626
289 E A -0.5143
290 L A 0.3100
291 L A -0.0839
292 A A -1.4877
293 R A -2.5962
294 D A -3.1174
295 G A -2.5706
296 Q A -3.0707
297 R A -2.7397
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 H A 0.0000
304 Y A 0.0000
305 G A 0.0000
306 H A 0.0000
307 G A -0.0107
308 S A -0.5862
309 G A -0.2536
310 G A -0.1697
311 I A 0.0000
312 S A 0.0000
313 V A 0.0000
314 H A 0.0000
315 W A -0.4324
316 G A 0.0000
317 T A 0.0000
318 A A 0.0000
319 L A -0.1726
320 E A -0.7998
321 A A 0.0000
322 A A 0.0000
323 R A -1.4427
324 L A -1.1542
325 V A 0.0000
326 S A -1.3405
327 E A -2.2559
328 C A -1.3898
329 V A 0.0000
330 H A -2.0093
331 A A -1.2750
332 L A -1.0375
333 R A -2.1134
334 T A -1.2245
335 P A -1.2344
336 I A -0.7167
337 P A -0.9514
338 K A -1.1780
339 S A -0.9336
340 N A -0.9853
341 L A 0.1833

 

Laboratory of Theory of Biopolymers 2015