Project name: hDASPO [mutate: WA160K, LA114V, LA244V]

Status: done

submitted: 2018-02-21 09:07:48, status changed: 2018-02-21 09:17:48
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Chain sequence(s) A: MDTARIAVVGAGVVGLSTAVCISKLVPRCSVTIISDKFTPDTTSDVAAGMLIPHTYPDTPIHTQKQWFRETFNHLFAIANSAEAGDAGVHLVSGWQIFQSTPTEEVPFWADVVLGFRKMTEAELKKFPQYVFGQAFTTLKCECPAYLPWLEKRIKGSGGWTLTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLQVQAPWVEHFIRDGSGLTYIYPGTSHVTLGGTRQKGDWNLSPDAENSREILSRCCALEPSLHGACNIREKVGLRPYRPGVRLQTELLARDGQRLPVVHHYGHGSGGISVHWGTALEAARLVSECVHALRTPIPKSNL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA160K, LA114V, LA244V
Energy difference between WT (input) and mutated protein (by FoldX) 3.55503 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
-3.392
Maximal score value
1.2505
Average score
-0.6957
Total score value
-237.2449

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 0.6612
2 D A -0.3537
3 T A -0.4826
4 A A 0.0000
5 R A -0.8444
6 I A 0.0000
7 A A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A -0.8239
11 A A 0.0000
12 G A -0.5260
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 -1.7561
25 L A 0.0000
26 V A 0.0000
27 P A -1.5815
28 R A -2.1117
29 C A -1.2289
30 S A -0.8027
31 V A 0.0000
32 T A -0.5240
33 I A 0.0000
34 I A 0.0000
35 S A 0.0000
36 D A -3.3920
37 K A -3.1824
38 F A -1.5988
39 T A -1.1208
40 P A -1.3437
41 D A -2.4885
42 T A -1.5249
43 T A -0.6840
44 S A -0.3845
45 D A 0.0000
46 V A -0.3805
47 A A -0.0586
48 A A 0.0227
49 G A 0.0000
50 M A -0.0002
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 -1.4467
64 Q A 0.0000
65 K A -2.0216
66 Q A -2.4031
67 W A 0.0000
68 F A 0.0000
69 R A -3.2540
70 E A -2.6476
71 T A 0.0000
72 F A 0.0000
73 N A -1.5963
74 H A -0.9398
75 L A 0.0000
76 F A -0.0296
77 A A -0.2196
78 I A -0.3628
79 A A 0.0000
80 N A -1.3192
81 S A -0.7729
82 A A -0.8837
83 E A -1.4136
84 A A -1.3581
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 -0.9441
91 L A -0.0232
92 V A 0.0000
93 S A -0.2718
94 G A 0.0000
95 W A -0.2101
96 Q A 0.0000
97 I A 0.0000
98 F A -0.0238
99 Q A -0.6802
100 S A -0.1527
101 T A -0.1099
102 P A -0.5708
103 T A -0.6266
104 E A -1.1016
105 E A 0.0000
106 V A -0.3579
107 P A -0.3933
108 F A -0.8048
109 W A 0.0000
110 A A -0.5711
111 D A -1.6240
112 V A -1.3080
113 V A 0.0000
114 V A 0.6087 mutated: LA114V
115 G A -0.2758
116 F A -0.3734
117 R A -0.9142
118 K A -1.0097
119 M A 0.0000
120 T A -1.4075
121 E A -2.2911
122 A A -1.9836
123 E A -1.9949
124 L A 0.0000
125 K A -2.9790
126 K A -3.0625
127 F A 0.0000
128 P A -1.3798
129 Q A -1.1495
130 Y A 0.0000
131 V A 0.7945
132 F A 0.3584
133 G A 0.0000
134 Q A 0.0000
135 A A 0.0000
136 F A 0.0000
137 T A 0.3058
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 -0.5105
145 A A -0.5867
146 Y A 0.0000
147 L A 0.0000
148 P A -0.7750
149 W A -1.0686
150 L A 0.0000
151 E A -1.5690
152 K A -2.1403
153 R A -1.9323
154 I A 0.0000
155 K A -2.4024
156 G A -1.8735
157 S A -1.7027
158 G A -1.4424
159 G A 0.0000
160 K A -1.9038 mutated: WA160K
161 T A -0.6914
162 L A -0.2749
163 T A -1.1813
164 R A -2.3874
165 R A -3.3103
166 I A 0.0000
167 E A -3.1091
168 D A -2.5328
169 L A 0.0000
170 W A -1.2440
171 E A -1.5980
172 L A 0.0000
173 H A 0.0000
174 P A -0.7326
175 S A -0.6641
176 F A -0.8644
177 D A -1.6576
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 -0.4601
184 G A -0.0861
185 L A 0.0766
186 G A -0.6352
187 S A 0.0000
188 R A -1.4410
189 Q A -1.7067
190 L A -1.3610
191 A A -1.1096
192 G A -1.2181
193 D A -1.2657
194 S A -1.0982
195 K A -1.5012
196 I A 0.0000
197 F A -0.0380
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 -0.4212
204 L A 0.0000
205 Q A -1.6346
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 -0.9978
214 F A 0.0000
215 I A 0.0000
216 R A -0.3022
217 D A -0.4467
218 G A -0.6042
219 S A -0.9104
220 G A -0.8684
221 L A -0.2123
222 T A 0.0000
223 Y A -0.0474
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 -0.7253
233 L A 0.0000
234 G A 0.0000
235 G A 0.0000
236 T A -1.3872
237 R A -2.8405
238 Q A -2.6668
239 K A -2.4286
240 G A -1.3478
241 D A -0.9748
242 W A 0.4243
243 N A -0.0237
244 V A 1.2505 mutated: LA244V
245 S A 0.1323
246 P A -0.8528
247 D A -1.8345
248 A A -1.9701
249 E A -2.9999
250 N A 0.0000
251 S A -2.1957
252 R A -3.1378
253 E A -2.5659
254 I A 0.0000
255 L A -1.2795
256 S A -1.2854
257 R A -0.8725
258 C A 0.0000
259 C A -0.6730
260 A A -0.5166
261 L A 0.0000
262 E A -0.8827
263 P A -0.8522
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 -1.7856
271 I A -1.3889
272 R A -2.4894
273 E A -1.9401
274 K A -1.0865
275 V A -0.0159
276 G A -0.1098
277 L A 0.0000
278 R A -0.6095
279 P A 0.0570
280 Y A 0.0635
281 R A -0.4675
282 P A -0.5279
283 G A -0.4252
284 V A 0.0000
285 R A -0.6945
286 L A -0.5825
287 Q A -1.1686
288 T A -0.7661
289 E A -0.5221
290 L A 0.3292
291 L A -0.0485
292 A A -1.4253
293 R A -2.5432
294 D A -3.0843
295 G A -2.5263
296 Q A -2.9808
297 R A -2.5723
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 -0.0106
308 S A -0.5862
309 G A -0.2536
310 G A -0.1699
311 I A 0.0000
312 S A 0.0000
313 V A 0.0000
314 H A 0.0000
315 W A -0.4278
316 G A 0.0000
317 T A 0.0000
318 A A 0.0000
319 L A -0.2158
320 E A -0.8435
321 A A 0.0000
322 A A 0.0000
323 R A -1.5413
324 L A -1.1808
325 V A 0.0000
326 S A 0.0000
327 E A -2.2494
328 C A -1.3640
329 V A 0.0000
330 H A -1.9668
331 A A -1.2314
332 L A -0.9565
333 R A -2.0748
334 T A -1.1968
335 P A -1.2132
336 I A -0.7089
337 P A -0.9680
338 K A -1.2169
339 S A -1.0078
340 N A -1.0839
341 L A -0.0270

 

Laboratory of Theory of Biopolymers 2015