Project name: WT52 [mutate: MA72R, IA141D, LA285D]

Status: done

submitted: 2018-11-08 19:59:58, status changed: 2018-11-08 20:16:44
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Chain sequence(s) A: MRSGSHHHHHHRSDITSLYKKAGSAAAPFTMENLYFQSYQGNSDCYFGNGSAYRGTHSLTESGASCLPWNSMILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRVVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRTVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMRP
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues MA72R, IA141D, LA285D
Energy difference between WT (input) and mutated protein (by FoldX) -0.755275 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
-3.6553
Maximal score value
1.9971
Average score
-0.6618
Total score value
-258.7488

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 0.2272
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 -1.9495
71 S A -1.0786
72 R A -1.3799 mutated: MA72R
73 I A 0.5757
74 L A 0.0000
75 I A -0.4844
76 G A -0.7249
77 K A -1.0201
78 V A 0.3370
79 Y A 0.9143
80 T A 0.3823
81 A A -0.0231
82 Q A -0.3312
83 N A -0.4877
84 P A -0.5122
85 S A -0.9417
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 -1.1537
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 -0.1009
131 L A 0.2585
132 R A 0.0000
133 Q A -0.5890
134 Y A 0.4606
135 S A -0.1320
136 Q A -0.8833
137 P A -1.4759
138 Q A -2.0064
139 F A -1.7954
140 R A -3.0687
141 D A -2.8750 mutated: IA141D
142 K A -1.4228
143 G A -1.0175
144 G A -0.2841
145 L A 1.0185
146 F A 0.7742
147 A A -0.3072
148 D A -1.3223
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 -2.5052
162 H A -2.7787
163 R A -3.3987
164 R A -3.6553
165 S A -2.0584
166 P A -1.6064
167 G A -2.1902
168 E A -2.7068
169 R A -2.3281
170 F A -0.8235
171 L A -0.1021
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 -0.5007
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 -1.9064
197 H A -2.0306
198 L A 0.0000
199 T A 0.0000
200 V A 0.0000
201 I A 0.0000
202 L A -0.3094
203 G A 0.0000
204 R A -0.1075
205 T A 0.1913
206 Y A 1.1870
207 R A 0.8363
208 V A 1.9971
209 V A 1.5180
210 P A 0.4869
211 G A -1.0762
212 E A -2.1889
213 E A -1.9292
214 E A -2.6979
215 Q A -2.4742
216 K A -2.3638
217 F A 0.0000
218 E A -3.2924
219 V A 0.0000
220 E A -2.4791
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 -3.1155
231 D A -2.9958
232 T A -1.4587
233 Y A 0.0000
234 D A -1.9097
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 -2.8526
244 S A -2.4200
245 D A -3.4015
246 S A 0.0000
247 S A 0.0000
248 R A -2.3838
249 C A -1.7228
250 A A -1.3103
251 Q A -2.2567
252 E A -2.0880
253 S A -1.5325
254 S A 0.0000
255 V A 0.4974
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 -1.6980
270 D A -2.2250
271 W A -1.0370
272 T A -0.8658
273 E A -1.8201
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 -1.2745
282 H A -1.3969
283 E A -2.3980
284 A A -1.5618
285 D A -1.8913 mutated: LA285D
286 S A -0.9133
287 P A 0.0923
288 F A 1.1905
289 Y A -0.1027
290 S A 0.1794
291 E A 0.0000
292 R A -0.1932
293 L A 0.0000
294 K A -0.0286
295 E A 0.0000
296 A A 0.0000
297 H A -1.4221
298 V A 0.0000
299 R A -1.2629
300 L A 0.0000
301 Y A 0.0000
302 P A -1.0292
303 S A -1.2132
304 S A -1.2776
305 R A -2.4172
306 C A 0.0000
307 T A -0.4406
308 S A -0.3425
309 Q A 0.0000
310 H A 0.0000
311 L A 0.6102
312 L A 1.5039
313 N A -0.0629
314 R A -0.4655
315 T A 0.3742
316 V A 1.5689
317 T A 0.0843
318 D A -1.4678
319 N A 0.0000
320 M A 0.0000
321 L A -0.1343
322 C A 0.0000
323 A A 0.0000
324 G A 0.0000
325 D A -2.0260
326 T A -1.2341
327 R A 0.0000
328 S A -1.2758
329 G A -1.9046
330 G A -1.7877
331 P A -1.4906
332 Q A -1.8729
333 A A -0.9809
334 N A -0.5639
335 L A 0.6923
336 H A -0.0481
337 D A -0.2319
338 A A -0.6302
339 C A -0.6184
340 Q A 0.0000
341 G A 0.0000
342 D A 0.0000
343 S A -0.0907
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 -1.2997
351 N A 0.0000
352 D A -2.5432
353 G A -1.7952
354 R A -1.4488
355 M A 0.0000
356 T A 0.0000
357 L A 0.0000
358 V A -0.0043
359 G A 0.0000
360 I A 0.0000
361 I A 0.0000
362 S A -0.3170
363 W A -0.1777
364 G A -0.3219
365 L A 0.3629
366 G A -0.7158
367 C A 0.0000
368 G A -1.2204
369 Q A -1.7692
370 K A -1.2473
371 D A -1.7846
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