Project name: 5I9D [mutate: LA42A]

Status: done

submitted: 2018-10-10 16:32:52, status changed: 2018-10-10 16:55:24
Settings
Chain sequence(s) A: LRVAPTVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYSTLIDGLCKAGKLDEALKLFEEMVEKGIKPNVVTYSTLIDGLCKAGKLDEALKLFEMKGIKPNVVTYNTLIDGLCKAGKLDEALKLFEEMKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGKLDEALKLFEEMVEKGIKPDVVTYNTLIDGLCKAGLDEALKLFEEMVEKGIKPDELTYRRVVEY
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA42A
Energy difference between WT (input) and mutated protein (by FoldX) 0.23166 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
2.1642
Average score
-1.13
Total score value
-406.7909

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 A A -0.4754 mutated: LA42A
43 R A -1.1986
47 V A 1.1553
48 A A 0.5082
49 P A 0.2925
50 T A 0.7713
51 V A 1.0628
52 V A 2.1642
53 T A 0.9980
54 Y A 0.0000
55 N A 0.0000
56 T A 0.4549
57 L A 0.5232
58 I A 0.0000
59 D A -1.9295
60 G A -1.6450
61 L A -2.0890
62 C A -2.5993
63 K A -2.8770
64 A A -2.2238
65 G A -2.6322
66 K A -3.2119
67 L A -2.9976
68 D A -3.4027
69 E A -3.4344
70 A A 0.0000
71 L A -2.0503
72 K A -3.0804
73 L A -1.6501
74 F A -1.3027
75 E A -2.5498
76 E A -2.2092
77 M A 0.0000
78 V A -1.1449
79 E A -2.7731
80 K A -2.8410
81 G A -1.7275
82 I A -1.3829
83 K A -1.7615
84 P A 0.0000
85 D A -0.4521
86 V A 0.5160
87 V A 1.6585
88 T A 0.0000
89 Y A 0.0000
90 N A 0.0000
91 T A 0.0000
92 L A 0.0000
93 I A 0.0000
94 D A -1.5364
95 G A 0.0000
96 L A 0.0000
97 C A -2.2090
98 K A -2.6533
99 A A -1.7850
100 G A -2.2836
101 K A -2.7504
102 L A 0.0000
103 D A -3.2701
104 E A -3.4121
105 A A 0.0000
106 L A -2.1921
107 K A -3.2191
108 L A 0.0000
109 F A -1.6713
110 E A -2.6494
111 E A -2.3130
112 M A 0.0000
113 V A -1.2331
114 E A -2.8447
115 K A -2.9575
116 G A -1.8907
117 I A 0.0000
118 K A -1.9557
119 P A 0.0000
120 D A -0.4103
121 V A 0.6292
122 V A 1.8719
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 -0.9813
130 G A -1.5016
131 L A 0.0000
132 C A -1.8303
133 K A -2.4122
134 A A -1.6242
135 G A -1.9066
136 K A -2.3147
137 L A -2.2408
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 -0.5975
149 E A -2.3286
150 K A -2.2503
151 G A -1.3670
152 I A -0.8749
153 K A -1.6734
154 P A 0.0000
155 D A -0.1086
156 V A 0.4115
157 V A 1.4807
158 T A 0.0000
159 Y A 0.0000
160 N A 0.4307
161 T A 0.0000
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 -2.1680
173 D A -2.8645
174 E A -2.9323
175 A A 0.0000
176 L A -1.8528
177 K A -2.7928
178 L A 0.0000
179 F A -1.3691
180 E A -2.5849
181 E A -1.9453
182 M A 0.0000
183 V A -0.8270
184 E A -2.3937
185 K A -2.0462
186 G A -1.4469
187 I A -0.9184
188 K A -1.7176
189 P A -0.7407
190 D A -0.6866
191 V A -0.3042
192 V A 0.5208
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 -1.8512
203 K A -2.3888
204 A A -1.5365
205 G A -1.9960
206 K A -2.2674
207 L A -2.1054
208 D A -2.9448
209 E A -3.1577
210 A A 0.0000
211 L A -1.9192
212 K A -3.1396
213 L A -1.8204
214 F A -1.9992
215 E A -3.1870
216 E A -2.9150
217 M A 0.0000
218 V A -2.1193
219 E A -3.3399
220 K A -3.2300
221 G A -2.3461
222 I A -1.7069
223 K A -2.0125
224 P A 0.0000
225 N A -0.7976
226 V A -0.1811
227 V A 0.0000
228 T A 0.0000
229 Y A 0.2432
230 S A 0.0000
231 T A 0.0000
232 L A 0.0000
233 I A 0.0000
234 D A -1.1650
235 G A 0.0000
236 L A 0.0000
237 C A 0.0000
238 K A -2.7712
239 A A -1.5736
240 G A -1.9991
241 K A -2.3297
242 L A -2.0895
243 D A -2.9028
244 E A -2.7510
245 A A 0.0000
246 L A -1.8220
247 K A -2.8092
248 L A -1.4861
249 F A 0.0000
250 E A -2.3531
252 M A -1.5219
255 K A -2.2556
256 G A -1.8275
257 I A -1.4461
258 K A -1.9495
259 P A -1.1268
260 N A -0.7856
261 V A -0.0308
262 V A 0.5763
263 T A 0.0000
264 Y A 0.0000
265 N A 0.0000
266 T A -0.4469
267 L A 0.0000
268 I A 0.0000
269 D A -2.3722
270 G A 0.0000
271 L A 0.0000
272 C A 0.0000
273 K A -3.0463
274 A A -1.8334
275 G A -2.1981
276 K A -2.6773
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 -1.5728
285 E A -2.3989
286 E A -1.4574
287 M A -0.1597
290 K A -2.1835
291 G A -1.5592
292 I A -1.5156
293 K A -2.3703
294 P A -1.5447
295 D A -1.8079
296 V A -0.0895
297 V A 1.3564
298 T A 0.0000
299 Y A 0.0000
300 N A 0.0000
301 T A -0.3450
302 L A 0.0000
303 I A 0.0000
304 D A -2.1898
305 G A 0.0000
306 L A 0.0000
307 C A 0.0000
308 K A -2.8393
309 A A -1.7142
310 G A -2.0702
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 -2.8945
321 E A -2.5953
322 M A 0.0000
323 V A -1.1426
324 E A -2.7294
325 K A -2.7571
326 G A -1.8387
327 I A 0.0000
328 K A -2.3331
329 P A 0.0000
330 D A -1.5395
331 V A -0.2372
332 V A 1.4887
333 T A 0.0000
334 Y A 0.0000
335 N A 0.0000
336 T A 0.0000
337 L A 0.0000
338 I A 0.0000
339 D A -1.2302
340 G A -1.7235
341 L A 0.0000
342 C A 0.0000
343 K A -2.4424
344 A A -1.6132
345 G A -2.0477
346 K A -2.4293
347 L A -2.0656
348 D A -2.8521
349 E A -2.7643
350 A A 0.0000
351 L A -2.0501
352 K A -2.9458
353 L A 0.0000
354 F A 0.0000
355 E A -2.6885
356 E A -2.2593
357 M A 0.0000
358 V A -0.8423
359 E A -2.5551
360 K A -2.4599
361 G A -1.6044
362 I A -1.4171
363 K A -1.9673
364 P A 0.0000
365 D A -0.0437
366 V A 0.5212
367 V A 1.6072
368 T A 0.0000
369 Y A 0.0000
370 N A 0.2825
371 T A 0.0000
372 L A 0.0000
373 I A 0.0000
374 D A -0.9248
375 G A 0.0000
376 L A 0.0000
377 C A -1.1687
378 K A -1.9875
379 A A -1.2321
380 G A -1.0133
382 L A -0.8005
383 D A -2.1234
384 E A -2.2587
385 A A 0.0000
386 L A -1.3429
387 K A -2.9282
388 L A 0.0000
389 F A -1.2591
390 E A -2.5226
391 E A -2.0440
392 M A 0.0000
393 V A -0.8352
394 E A -2.3966
395 K A -2.2492
396 G A -1.4220
397 I A -1.1809
398 K A -1.7425
399 P A -0.6643
400 D A -1.3772
401 E A -2.0207
402 L A -0.5519
403 T A 0.0000
404 Y A -0.4070
405 R A -1.9150
406 R A -1.0979
407 V A 0.0000
408 V A 0.9617
409 E A -1.0779
411 Y A 1.2402

 

Laboratory of Theory of Biopolymers 2015