Project name: 5I9D [mutate: VA52R, VA87R, VA122R, VA157R, VA192R, YA229R, VA262R, VA297R, VA332R, VA367R, VA408R]

Status: done

submitted: 2018-10-11 00:23:14, status changed: 2018-10-11 00:52:24
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Chain sequence(s) A: LRVAPTVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYSTLIDGLCKAGKLDEALKLFEEMVEKGIKPNVVTYSTLIDGLCKAGKLDEALKLFEMKGIKPNVVTYNTLIDGLCKAGKLDEALKLFEEMKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGLDEALKLFEEMVEKGIKPDELTYRRVVEY
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues VA52R, VA87R, VA122R, VA157R, VA192R, YA229R, VA262R, VA297R, VA332R, VA367R, VA408R
Energy difference between WT (input) and mutated protein (by FoldX) -0.860189 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
-3.5225
Maximal score value
1.4696
Average score
-1.3405
Total score value
-482.5799

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
42 L A 1.0142
43 R A -0.4649
47 V A 1.4696
48 A A 0.6918
49 P A -0.1281
50 T A -0.4964
51 V A -1.1710
52 R A -1.9517 mutated: VA52R
53 T A -0.8196
54 Y A 0.0000
55 N A -1.3862
56 T A -0.9599
57 L A -0.0631
58 I A 0.0000
59 D A -2.3128
60 G A -1.6643
61 L A -2.0888
62 C A -2.5979
63 K A -2.8760
64 A A -2.2238
65 G A -2.6322
66 K A -3.2116
67 L A -2.9971
68 D A -3.4021
69 E A -3.4338
70 A A 0.0000
71 L A -2.0572
72 K A -3.0966
73 L A -1.6888
74 F A -1.3401
75 E A -2.5809
76 E A -2.2723
77 M A 0.0000
78 V A -1.1696
79 E A -2.7966
80 K A -2.8621
81 G A -1.7442
82 I A -1.4062
83 K A -1.7351
84 P A 0.0000
85 D A -1.7143
86 V A -1.4021
87 R A -2.5443 mutated: VA87R
88 T A 0.0000
89 Y A 0.0000
90 N A 0.0000
91 T A -1.5757
92 L A 0.0000
93 I A 0.0000
94 D A -1.5232
95 G A 0.0000
96 L A 0.0000
97 C A -2.2027
98 K A -2.6489
99 A A -1.7826
100 G A -2.2818
101 K A -2.7483
102 L A 0.0000
103 D A -3.2696
104 E A -3.4114
105 A A 0.0000
106 L A -2.1900
107 K A -3.2180
108 L A 0.0000
109 F A -1.6708
110 E A -2.6511
111 E A -2.3149
112 M A 0.0000
113 V A -1.2409
114 E A -2.8485
115 K A -2.9381
116 G A -1.8936
117 I A 0.0000
118 K A -1.9705
119 P A 0.0000
120 D A -2.0010
121 V A -1.2720
122 R A -2.1731 mutated: VA122R
123 T A 0.0000
124 Y A 0.0000
125 N A 0.0000
126 T A 0.0000
127 L A 0.0000
128 I A 0.0000
129 D A -1.1461
130 G A -1.4985
131 L A 0.0000
132 C A -1.8308
133 K A -2.4117
134 A A -1.6239
135 G A -1.9064
136 K A -2.3145
137 L A -2.2406
138 D A -3.1262
139 E A -3.3707
140 A A 0.0000
141 L A -2.1096
142 K A -3.1995
143 L A 0.0000
144 F A -1.5378
145 E A -2.3631
146 E A -1.8711
147 M A 0.0000
148 V A -0.5987
149 E A -2.3286
150 K A -2.2686
151 G A -1.3855
152 I A -1.2517
153 K A -1.7063
154 P A 0.0000
155 D A -1.2315
156 V A -0.6401
157 R A -0.8343 mutated: VA157R
158 T A 0.0000
159 Y A 0.0000
160 N A 0.0000
161 T A -0.3494
162 L A 0.0000
163 I A 0.0000
164 D A 0.0000
165 G A 0.0000
166 L A 0.0000
167 C A -1.5486
168 K A -1.8583
169 A A -1.3059
170 G A -1.8491
171 K A -2.2776
172 L A -2.1712
173 D A -2.8703
174 E A -2.9408
175 A A 0.0000
176 L A -1.8588
177 K A -2.8064
178 L A 0.0000
179 F A -1.3276
180 E A -2.5336
181 E A -1.8576
182 M A 0.0000
183 V A -0.6846
184 E A -2.2795
185 K A -1.8858
186 G A -1.3592
187 I A -1.0342
188 K A -1.6531
189 P A -1.0126
190 D A -1.0503
191 V A -0.7919
192 R A -0.8391 mutated: VA192R
193 T A 0.0000
194 Y A 0.0000
195 S A 0.0000
196 T A 0.0000
197 L A 0.0000
198 I A 0.0000
199 D A 0.0000
200 G A 0.0000
201 L A 0.0000
202 C A -1.8380
203 K A -2.3790
204 A A -1.5365
205 G A -1.9960
206 K A -2.2664
207 L A -2.1034
208 D A -2.9448
209 E A -3.1589
210 A A 0.0000
211 L A -1.9209
212 K A -3.1441
213 L A -1.8307
214 F A -2.0677
215 E A -3.1979
216 E A -2.9225
217 M A 0.0000
218 V A -2.1280
219 E A -3.3432
220 K A -3.2327
221 G A -2.3239
222 I A -1.7856
223 K A -1.9899
224 P A 0.0000
225 N A -1.0249
226 V A -0.4283
227 V A 0.0000
228 T A 0.0000
229 R A -0.1031 mutated: YA229R
230 S A 0.0000
231 T A 0.0000
232 L A 0.0000
233 I A 0.0000
234 D A -1.1361
235 G A 0.0000
236 L A 0.0000
237 C A 0.0000
238 K A -2.6521
239 A A -1.5627
240 G A -1.9991
241 K A -2.3215
242 L A -2.0842
243 D A -2.9070
244 E A -2.7589
245 A A 0.0000
246 L A -1.8330
247 K A -2.8252
248 L A -1.5886
249 F A 0.0000
250 E A -2.3656
252 M A -1.6033
255 K A -2.2568
256 G A -1.8276
257 I A -1.4929
258 K A -1.9534
259 P A -1.3561
260 N A -1.1137
261 V A -0.9432
262 R A -0.9086 mutated: VA262R
263 T A 0.0000
264 Y A 0.0000
265 N A 0.0000
266 T A 0.0000
267 L A 0.0000
268 I A 0.0000
269 D A -1.8785
270 G A 0.0000
271 L A 0.0000
272 C A 0.0000
273 K A -2.8187
274 A A -1.7096
275 G A -2.1091
276 K A -2.5893
277 L A 0.0000
278 D A -3.1794
279 E A -3.5225
280 A A 0.0000
281 L A -2.0309
282 K A -2.8245
283 L A 0.0000
284 F A -1.5725
285 E A -2.3989
286 E A -1.4601
287 M A -0.1597
290 K A -2.1913
291 G A -1.5682
292 I A -1.6402
293 K A -2.3768
294 P A -2.2343
295 D A -2.9261
296 V A -2.1323
297 R A -2.5501 mutated: VA297R
298 T A 0.0000
299 Y A 0.0000
300 N A 0.0000
301 T A 0.0000
302 L A 0.0000
303 I A 0.0000
304 D A -2.4452
305 G A 0.0000
306 L A 0.0000
307 C A 0.0000
308 K A -2.8298
309 A A -1.7142
310 G A -2.0767
311 K A -2.3786
312 L A -2.1833
313 D A -2.8829
314 E A -2.8587
315 A A 0.0000
316 L A -1.8990
317 K A -3.1299
318 L A 0.0000
319 F A -1.7659
320 E A -2.8962
321 E A -2.5987
322 M A 0.0000
323 V A -1.1449
324 E A -2.7361
325 K A -2.7710
326 G A -1.8431
327 I A 0.0000
328 K A -2.3337
329 P A 0.0000
330 D A -3.0284
331 V A -2.3076
332 R A -2.8793 mutated: VA332R
333 T A 0.0000
334 Y A 0.0000
335 N A 0.0000
336 T A -1.3966
337 L A 0.0000
338 I A 0.0000
339 D A -1.4607
340 G A -1.6743
341 L A 0.0000
342 C A 0.0000
343 K A -2.4643
344 A A -1.6206
345 G A -2.0538
346 K A -2.4260
347 L A -2.0686
348 D A -2.8721
349 E A -2.7941
350 A A 0.0000
351 L A -2.0884
352 K A -3.0227
353 L A 0.0000
354 F A 0.0000
355 E A -2.7141
356 E A -2.2799
357 M A 0.0000
358 V A -0.8423
359 E A -2.5551
360 K A -2.4599
361 G A -1.6084
362 I A -1.7834
363 K A -1.9435
364 P A 0.0000
365 D A -1.5063
366 V A -0.9944
367 R A -2.0447 mutated: VA367R
368 T A 0.0000
369 Y A 0.0000
370 N A -0.9333
371 T A 0.0000
372 L A 0.0000
373 I A 0.0000
374 D A -0.9157
375 G A 0.0000
376 L A 0.0000
377 C A -1.1691
378 K A -1.9947
379 A A -1.2386
380 G A -1.0137
382 L A -0.8011
383 D A -2.1233
384 E A -2.2583
385 A A 0.0000
386 L A -1.7000
387 K A -2.9083
388 L A 0.0000
389 F A -1.2478
390 E A -2.4464
391 E A -1.9189
392 M A 0.0000
393 V A -0.7032
394 E A -2.2911
395 K A -2.1212
396 G A -1.3335
397 I A -1.0979
398 K A -1.6943
399 P A -1.0557
400 D A -1.8496
401 E A -2.1598
402 L A -1.4640
403 T A 0.0000
404 Y A -1.7229
405 R A -3.1498
406 R A -2.3817
407 V A 0.0000
408 R A -2.7542 mutated: VA408R
409 E A -2.8981
411 Y A 0.0568

 

Laboratory of Theory of Biopolymers 2015