Project name: hDASPO [mutate: WA160S, TA161S]

Status: done

submitted: 2018-02-20 13:45:07, status changed: 2018-02-20 13:54:59
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Chain sequence(s) A: MDTARIAVVGAGVVGLSTAVCISKLVPRCSVTIISDKFTPDTTSDVAAGMLIPHTYPDTPIHTQKQWFRETFNHLFAIANSAEAGDAGVHLVSGWQIFQSTPTEEVPFWADVVLGFRKMTEAELKKFPQYVFGQAFTTLKCECPAYLPWLEKRIKGSGGWTLTRRIEDLWELHPSFDIVVNCSGLGSRQLAGDSKIFPVRGQVLQVQAPWVEHFIRDGSGLTYIYPGTSHVTLGGTRQKGDWNLSPDAENSREILSRCCALEPSLHGACNIREKVGLRPYRPGVRLQTELLARDGQRLPVVHHYGHGSGGISVHWGTALEAARLVSECVHALRTPIPKSNL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues WA160S, TA161S
Energy difference between WT (input) and mutated protein (by FoldX) 1.37533 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
-3.3254
Maximal score value
1.0483
Average score
-0.6848
Total score value
-233.5248

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 0.6617
2 D A -0.3526
3 T A -0.4918
4 A A 0.0000
5 R A -0.8497
6 I A 0.0000
7 A A 0.0000
8 V A 0.0000
9 V A 0.0000
10 G A -0.8062
11 A A 0.0000
12 G A -0.5061
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 -1.5815
28 R A -2.1112
29 C A -1.2342
30 S A -0.5919
31 V A 0.0000
32 T A 0.0053
33 I A 0.0000
34 I A 0.0000
35 S A 0.0000
36 D A -3.3254
37 K A -3.0501
38 F A -1.5274
39 T A -1.0861
40 P A -1.3215
41 D A -2.4444
42 T A -1.4817
43 T A -0.6564
44 S A -0.3751
45 D A 0.0000
46 V A -0.3711
47 A A -0.0524
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 -0.0229
99 Q A -0.6795
100 S A -0.1519
101 T A -0.1091
102 P A -0.5704
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 -1.0119
119 M A 0.0000
120 T A -1.4075
121 E A -2.2908
122 A A -1.9836
123 E A -1.9948
124 L A 0.0000
125 K A -2.9786
126 K A -3.0625
127 F A 0.0000
128 P A -1.3798
129 Q A -1.1492
130 Y A 0.0000
131 V A 0.7958
132 F A 0.3607
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 -0.5105
145 A A -0.5874
146 Y A 0.0000
147 L A 0.0000
148 P A -0.7755
149 W A -1.0836
150 L A 0.0000
151 E A -1.4420
152 K A -2.1850
153 R A -1.9794
154 I A 0.0000
155 K A -2.1911
156 G A -1.7896
157 S A -1.5749
158 G A -1.1593
159 G A 0.0000
160 S A -0.4669 mutated: WA160S
161 S A -0.0536 mutated: TA161S
162 L A 0.0806
163 T A -1.1542
164 R A -2.3662
165 R A -3.2881
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 -0.7357
175 S A -0.6689
176 F A -0.8872
177 D A -1.7101
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 -0.4606
184 G A -0.0869
185 L A 0.0879
186 G A -0.6362
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 -0.0225
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 -0.4188
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 -0.9974
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 -1.3890
237 R A -2.8359
238 Q A -2.6511
239 K A -2.4115
240 G A -1.3175
241 D A -0.9515
242 W A 0.4846
243 N A -0.0794
244 L A 1.0483
245 S A 0.0319
246 P A -0.9057
247 D A -1.8668
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 -1.9437
274 K A -1.1169
275 V A -0.0771
276 G A 0.0000
277 L A 0.0000
278 R A -0.6000
279 P A 0.0619
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 0.3179
291 L A -0.0725
292 A A -1.4686
293 R A -2.5713
294 D A -3.1042
295 G A -2.5580
296 Q A -3.0471
297 R A -2.7020
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 -0.1699
311 I A 0.0000
312 S A 0.0000
313 V A 0.0000
314 H A 0.0000
315 W A -0.4324
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 -1.3426
327 E A -2.2587
328 C A -1.3917
329 V A 0.0000
330 H A -2.0155
331 A A -1.2842
332 L A -1.0531
333 R A -2.1226
334 T A -1.2303
335 P A -1.2376
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