Project name: camsol [mutate: MA72R, VA208R, TA258R] [mutate: RA258N]

Status: done

submitted: 2018-11-12 11:01:16, status changed: 2018-11-12 11:14:19
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Chain sequence(s) A: MRSGSHHHHHHRSDITSLYKKAGSAAAPFTMENLYFQSYQGNSDCYFGNGSAYRGTHSLTESGASCLPWNSRILIGKVYTAQNPSAQALGLGKHNYCRNPDGDAKPWCHVLKNRRLTWEYCDVPSCSTCGLRQYSQPQFRIKGGLFADIASHPWQAAIFAKHRRSPGERFLCGGILISSCWILSAAHCFQERFPPHHLTVILGRTYRRVPGEEEQKFEVEKYIVHKEFDDDTYDNDIALLQLKSDSSRCAQESSVVRRVCLPPADLQLPDWTECELSGYGKHEALSPFYSERLKEAHVRLYPSSRCTSQHLLNRTVTDNMLCAGDTRSGGPQANLHDACQGDSGGPLVCLNDGRMTLVGIISWGLGCGQKDVPGVYTKVTNYLDWIRDNMR
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues RA258N
Energy difference between WT (input) and mutated protein (by FoldX) -0.589191 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
-3.7109
Maximal score value
1.8149
Average score
-0.6556
Total score value
-256.3456

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 -0.0867
2 R A -1.5465
3 S A -0.6555
4 G A -0.5220
5 S A -0.3381
6 H A 0.0000
7 H A -0.5510
8 H A -0.7154
9 H A -1.1349
10 H A -1.8444
11 H A -1.6270
12 R A -1.8076
13 S A 0.0000
14 D A 0.0000
15 I A 0.6114
16 T A -0.0757
17 S A 0.0222
18 L A 0.1152
19 Y A 0.0000
20 K A -1.5965
21 K A -2.2823
22 A A -1.2274
23 G A -1.3144
24 S A -0.9120
25 A A 0.0000
26 A A -0.0740
27 A A 0.3831
28 P A -0.0164
29 F A 0.0000
30 T A -0.6249
31 M A -0.5325
32 E A -1.9905
33 N A -1.3394
34 L A 0.1316
35 Y A 0.8240
36 F A 0.1334
37 Q A -0.9129
38 S A -1.0619
39 Y A 0.0000
40 Q A 0.0000
41 G A -0.6844
42 N A -0.9168
43 S A 0.0000
44 D A -0.3403
45 C A 0.3624
46 Y A 1.0810
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 -0.9919
53 Y A 0.0000
54 R A -0.8030
55 G A -0.6611
56 T A -0.3863
57 H A -0.2321
58 S A -0.1056
59 L A -0.2649
60 T A 0.0000
61 E A -2.2355
62 S A -1.3994
63 G A -1.1712
64 A A -0.8180
65 S A -0.2706
66 C A 0.0000
67 L A -0.0092
68 P A -0.8655
69 W A 0.0000
70 N A -1.9564
71 S A -1.0866
72 R A -1.3915
73 I A 0.5659
74 L A 0.0000
75 I A -0.5193
76 G A -0.7421
77 K A -1.0308
78 V A 0.3291
79 Y A 0.9142
80 T A 0.3819
81 A A -0.0276
82 Q A -0.3391
83 N A -0.5037
84 P A -0.5208
85 S A -0.9529
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 -1.5666
93 K A -2.3754
94 H A -1.3837
95 N A 0.0000
96 Y A -0.2150
97 C A 0.0000
98 R A 0.0000
99 N A 0.0000
100 P A -1.1536
101 D A -2.0428
102 G A -1.6743
103 D A -1.3105
104 A A -0.8200
105 K A -1.0048
106 P A 0.0000
107 W A -0.2389
108 C A 0.0000
109 H A 0.0000
110 V A 0.0000
111 L A -1.2644
112 K A -2.7717
113 N A -3.1772
114 R A -3.5318
115 R A -3.0852
116 L A -1.2189
117 T A -0.7363
118 W A 0.0180
119 E A -0.8730
120 Y A -0.4243
121 C A 0.0000
122 D A -1.5036
123 V A 0.0000
124 P A -0.2630
125 S A -0.1188
126 C A 0.0670
127 S A 0.0000
128 T A 0.0000
129 C A 0.0000
130 G A -0.1176
131 L A 0.1984
132 R A 0.0000
133 Q A -0.6122
134 Y A 0.4464
135 S A -0.1571
136 Q A -0.9202
137 P A -1.5104
138 Q A -2.0419
139 F A -1.0322
140 R A -1.1952
141 I A 0.9542
142 K A 0.4697
143 G A -0.1321
144 G A 0.2070
145 L A 1.6201
146 F A 0.8458
147 A A -0.2943
148 D A -1.3792
149 I A 0.0000
150 A A -0.4449
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 -2.5054
162 H A -2.8174
163 R A -3.5455
164 R A -3.7109
165 S A -2.0817
166 P A -1.6215
167 G A -2.1972
168 E A -2.7189
169 R A -2.3189
170 F A -0.8227
171 L A -0.1172
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 -1.2121
179 S A -1.5965
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 -1.3990
188 C A -0.5002
189 F A 0.0000
190 Q A 0.0000
191 E A -2.6254
192 R A -2.6059
193 F A -1.6832
194 P A -1.4478
195 P A -1.7942
196 H A -1.9030
197 H A -2.0525
198 L A 0.0000
199 T A 0.0000
200 V A 0.0000
201 I A 0.0000
202 L A -0.3390
203 G A 0.0000
204 R A -0.5649
205 T A -0.2435
206 Y A 0.1721
207 R A -0.9218
208 R A -1.6046
209 V A -0.1965
210 P A -0.7343
211 G A -1.6111
212 E A -2.5432
213 E A -1.9320
214 E A -2.6981
215 Q A -2.5712
216 K A -2.3220
217 F A 0.0000
218 E A -3.2784
219 V A 0.0000
220 E A -2.4717
221 K A -1.8816
222 Y A -0.5013
223 I A -0.4043
224 V A -0.6664
225 H A -1.4538
226 K A -2.6185
227 E A -2.7364
228 F A -2.1378
229 D A -2.5332
230 D A -3.1114
231 D A -2.9938
232 T A -1.4579
233 Y A 0.0000
234 D A -1.9076
235 N A -1.7800
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 -2.9655
244 S A -2.4119
245 D A -3.4740
246 S A 0.0000
247 S A 0.0000
248 R A -3.4768
249 C A -2.3746
250 A A -1.8571
251 Q A -2.8420
252 E A -3.1022
253 S A -2.0006
254 S A -1.2510
255 V A 0.2511
256 V A 0.0000
257 R A -1.3272
258 N A -1.0961 mutated: RA258N
259 V A 0.0000
260 C A 0.2654
261 L A 0.1515
262 P A 0.0000
263 P A -0.6547
264 A A -1.1867
265 D A -2.1303
266 L A -1.0258
267 Q A -1.4628
268 L A 0.0000
269 P A -1.7002
270 D A -2.1978
271 W A -0.9832
272 T A -0.7721
273 E A -1.0849
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 -0.4603
282 H A -0.4716
283 E A -1.5911
284 A A -0.0653
285 L A 1.1393
286 S A 0.4956
287 P A 0.9413
288 F A 1.8149
289 Y A 0.7024
290 S A -0.0135
291 E A 0.0000
292 R A -0.5617
293 L A 0.0000
294 K A 0.0295
295 E A 0.0000
296 A A 0.0000
297 H A -0.1698
298 V A 0.0000
299 R A -0.7895
300 L A 0.0000
301 Y A 0.0000
302 P A -1.0261
303 S A -1.2093
304 S A -1.2754
305 R A -2.4148
306 C A 0.0000
307 T A -0.4400
308 S A -0.3432
309 Q A 0.0000
310 H A 0.0000
311 L A 0.6089
312 L A 1.5021
313 N A -0.0667
314 R A -0.4675
315 T A 0.3732
316 V A 1.5683
317 T A 0.0843
318 D A -1.4678
319 N A 0.0000
320 M A 0.0000
321 L A -0.1324
322 C A 0.0000
323 A A 0.0000
324 G A 0.0000
325 D A -2.0228
326 T A -1.2324
327 R A 0.0000
328 S A -1.2737
329 G A -1.9037
330 G A -1.7877
331 P A -1.4906
332 Q A -1.8711
333 A A -0.9772
334 N A -0.5573
335 L A 0.6956
336 H A -0.0438
337 D A -0.2403
338 A A -0.1331
339 C A -0.6007
340 Q A 0.0000
341 G A 0.0000
342 D A 0.0000
343 S A -0.0909
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 -1.2863
351 N A 0.0000
352 D A -2.5475
353 G A -1.8168
354 R A -1.4798
355 M A 0.0000
356 T A 0.0000
357 L A 0.0000
358 V A -0.0019
359 G A 0.0000
360 I A 0.0000
361 I A 0.0000
362 S A -0.3162
363 W A -0.1946
364 G A -0.3570
365 L A 0.2893
366 G A -0.3958
367 C A 0.0000
368 G A -1.2301
369 Q A -1.7913
370 K A -1.2672
371 D A -1.7852
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 -0.4014
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 -1.4940
385 W A 0.0000
386 I A 0.0000
387 R A -2.8958
388 D A -3.1289
389 N A -2.0969
390 M A 0.0000
391 R A -2.9559

 

Laboratory of Theory of Biopolymers 2015