Project name: wt55 [mutate: MA72R, LA312K, LA335K]

Status: done

submitted: 2018-11-09 12:00:58, status changed: 2018-11-09 12:16:29
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Chain sequence(s) A: MRSGSHHHHHHRSDITSLYKKAGSAAAPFTMENLYFQSYQGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues MA72R, LA312K, LA335K
Energy difference between WT (input) and mutated protein (by FoldX) -0.440761 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
-3.6425
Maximal score value
1.9971
Average score
-0.6536
Total score value
-255.5568

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 -0.0832
2 R A -1.5366
3 S A -0.6503
4 G A -0.5207
5 S A -0.3372
6 H A 0.0000
7 H A -0.5494
8 H A -0.7122
9 H A -1.1304
10 H A -1.8419
11 H A -1.6278
12 R A -1.7657
13 S A 0.0000
14 D A 0.0000
15 I A 0.8741
16 T A 0.0586
17 S A 0.1158
18 L A 0.2267
19 Y A 0.0000
20 K A -1.5254
21 K A -2.2763
22 A A -1.2246
23 G A -1.3128
24 S A -0.8783
25 A A 0.0000
26 A A 0.0121
27 A A 0.4178
28 P A -0.0139
29 F A 0.0000
30 T A -0.6209
31 M A -0.5233
32 E A -1.9851
33 N A -1.3345
34 L A 0.1384
35 Y A 0.8278
36 F A 0.1356
37 Q A -0.9128
38 S A -1.0304
39 Y A 0.0000
40 Q A 0.0000
41 G A -0.6842
42 N A -0.9181
43 S A 0.0000
44 D A -0.3436
45 C A 0.3601
46 Y A 1.0782
47 F A 0.0000
48 G A 0.0000
49 N A 0.0000
50 G A 0.0000
51 S A 0.0000
52 A A -0.9921
53 Y A 0.0000
54 R A -0.8042
55 G A -0.6622
56 T A -0.3871
57 H A -0.2309
58 S A -0.1047
59 L A -0.2612
60 T A 0.0000
61 E A -2.2301
62 S A -1.3951
63 G A -1.1678
64 A A -0.8160
65 S A -0.2698
66 C A 0.0000
67 L A -0.0111
68 P A -0.8679
69 W A 0.0000
70 N A -1.9559
71 S A -1.0854
72 R A -1.3892 mutated: MA72R
73 I A 0.5679
74 L A 0.0000
75 I A -0.5125
76 G A -0.7388
77 K A -1.0287
78 V A 0.3307
79 Y A 0.9142
80 T A 0.3819
81 A A -0.0268
82 Q A -0.3379
83 N A -0.4941
84 P A -0.5133
85 S A -0.9422
86 A A 0.0000
87 Q A 0.0000
88 A A 0.0000
89 L A 0.0000
90 G A 0.0000
91 L A 0.0000
92 G A -1.5609
93 K A -2.3765
94 H A -1.3857
95 N A 0.0000
96 Y A -0.2160
97 C A 0.0000
98 R A 0.0000
99 N A 0.0000
100 P A -1.1539
101 D A -2.0428
102 G A -1.6743
103 D A -1.3116
104 A A -0.8229
105 K A -1.0038
106 P A 0.0000
107 W A -0.2376
108 C A 0.0000
109 H A 0.0000
110 V A 0.0000
111 L A -1.2563
112 K A -2.7801
113 N A -3.1807
114 R A -3.5320
115 R A -3.0842
116 L A -1.2163
117 T A -0.7366
118 W A 0.0179
119 E A -0.8736
120 Y A -0.4205
121 C A 0.0000
122 D A -1.4907
123 V A 0.0000
124 P A -0.2602
125 S A -0.1200
126 C A 0.0649
127 S A 0.0000
128 T A 0.0000
129 C A 0.0000
130 G A -0.0955
131 L A 0.2616
132 R A 0.0000
133 Q A -0.5890
134 Y A 0.4606
135 S A -0.1444
136 Q A -0.8944
137 P A -1.4982
138 Q A -2.0358
139 F A -1.0276
140 R A -1.1950
141 I A 0.9552
142 K A 0.4715
143 G A -0.1309
144 G A 0.2120
145 L A 1.6336
146 F A 0.8852
147 A A -0.2510
148 D A -1.3183
149 I A 0.0000
150 A A -0.3971
151 S A 0.0000
152 H A 0.0000
153 P A 0.0000
154 W A 0.0000
155 Q A 0.0000
156 A A 0.0000
157 A A 0.0000
158 I A 0.0000
159 F A 0.0000
160 A A 0.0000
161 K A -2.4956
162 H A -2.7610
163 R A -3.3733
164 R A -3.6425
165 S A -2.0527
166 P A -1.6032
167 G A -2.1851
168 E A -2.6992
169 R A -2.3213
170 F A -0.8224
171 L A -0.1003
172 C A 0.0000
173 G A 0.0000
174 G A 0.0000
175 I A 0.0000
176 L A 0.0000
177 I A 0.0000
178 S A -0.7499
179 S A -1.2423
180 C A 0.0000
181 W A 0.0000
182 I A 0.0000
183 L A 0.0000
184 S A 0.0000
185 A A 0.0000
186 A A 0.0000
187 H A -1.4035
188 C A -0.5005
189 F A 0.0000
190 Q A 0.0000
191 E A -2.6268
192 R A -2.6073
193 F A -1.6836
194 P A -1.4490
195 P A -1.7932
196 H A -1.9055
197 H A -2.0254
198 L A 0.0000
199 T A 0.0000
200 V A 0.0000
201 I A 0.0000
202 L A -0.3008
203 G A 0.0000
204 R A -0.1071
205 T A 0.1943
206 Y A 1.1870
207 R A 0.8360
208 V A 1.9971
209 V A 1.5180
210 P A 0.4869
211 G A -1.0762
212 E A -2.1820
213 E A -1.9182
214 E A -2.6850
215 Q A -2.4512
216 K A -2.3194
217 F A 0.0000
218 E A -3.2835
219 V A 0.0000
220 E A -2.4802
221 K A -1.8845
222 Y A -0.5029
223 I A -0.4045
224 V A -0.6665
225 H A -1.4536
226 K A -2.6193
227 E A -2.7387
228 F A -2.1422
229 D A -2.5411
230 D A -3.1156
231 D A -2.9964
232 T A -1.8062
233 Y A 0.0000
234 D A -1.9101
235 N A -1.7813
236 D A 0.0000
237 I A 0.0000
238 A A 0.0000
239 L A 0.0000
240 L A 0.0000
241 Q A 0.0000
242 L A 0.0000
243 K A -2.8562
244 S A -2.4216
245 D A -3.3921
246 S A 0.0000
247 S A 0.0000
248 R A -2.3838
249 C A -1.7239
250 A A -1.3103
251 Q A -2.2565
252 E A -2.0877
253 S A -1.5274
254 S A 0.0000
255 V A 0.4977
256 V A 0.0000
257 R A -0.8554
258 T A 0.0000
259 V A 0.0000
260 C A 0.3626
261 L A 0.1985
262 P A 0.0000
263 P A -0.6558
264 A A -1.1904
265 D A -2.1339
266 L A -1.0342
267 Q A -1.4732
268 L A 0.0000
269 P A -1.6967
270 D A -2.1981
271 W A -0.9835
272 T A -0.7672
273 E A -1.0736
274 C A 0.0000
275 E A 0.0000
276 L A 0.0000
277 S A 0.0000
278 G A 0.0000
279 Y A 0.0000
280 G A 0.0000
281 K A -0.4669
282 H A -0.4667
283 E A -1.5954
284 A A -0.0695
285 L A 1.1377
286 S A 0.4978
287 P A 0.9238
288 F A 1.7553
289 Y A 0.6777
290 S A 0.5053
291 E A 0.0000
292 R A -0.1669
293 L A 0.0000
294 K A 0.0570
295 E A 0.0000
296 A A 0.0000
297 H A -0.1663
298 V A 0.0000
299 R A -0.7778
300 L A 0.0000
301 Y A 0.0000
302 P A -1.0284
303 S A -1.2098
304 S A -1.2749
305 R A -2.4147
306 C A 0.0000
307 T A -1.2904
308 S A -1.3233
309 Q A 0.0000
310 H A 0.0000
311 L A -0.9739
312 K A -1.7437 mutated: LA312K
313 N A -1.6564
314 R A -1.5028
315 T A -0.4805
316 V A 0.6824
317 T A -0.3241
318 D A -1.4673
319 N A 0.0000
320 M A 0.0000
321 L A -0.1329
322 C A 0.0000
323 A A 0.0000
324 G A 0.0000
325 D A -2.5727
326 T A -1.6343
327 R A 0.0000
328 S A -1.6872
329 G A -1.8997
330 G A -1.7877
331 P A -1.4906
332 Q A -2.3043
333 A A -1.7027
334 N A -2.1304
335 K A -2.5289 mutated: LA335K
336 H A -1.5257
337 D A -0.9818
338 A A -0.5410
339 C A -0.5822
340 Q A 0.0000
341 G A 0.0000
342 D A 0.0000
343 S A -0.0900
344 G A 0.0000
345 G A 0.0000
346 P A 0.0000
347 L A 0.0000
348 V A 0.0000
349 C A 0.0000
350 L A -1.2760
351 N A 0.0000
352 D A -2.5385
353 G A -1.8015
354 R A -1.4458
355 M A 0.0000
356 T A 0.0000
357 L A 0.0000
358 V A -0.0045
359 G A 0.0000
360 I A 0.0000
361 I A 0.0000
362 S A -0.3167
363 W A -0.1757
364 G A -0.3200
365 L A 0.3651
366 G A -0.3555
367 C A 0.0000
368 G A -1.5903
369 Q A -1.7692
370 K A -1.2473
371 D A -1.7849
372 V A 0.0000
373 P A 0.0000
374 G A 0.0000
375 V A 0.0000
376 Y A 0.0000
377 T A 0.0000
378 K A -0.4020
379 V A 0.0000
380 T A 0.0000
381 N A 0.0000
382 Y A 0.0000
383 L A 0.0000
384 D A -1.5127
385 W A 0.0000
386 I A 0.0000
387 R A -2.9048
388 D A -3.1396
389 N A -2.1021
390 M A 0.0000
391 R A -2.8499

 

Laboratory of Theory of Biopolymers 2015