Project name: c927becc1f11fdd [mutate: LA6V]

Status: done

submitted: 2018-12-24 05:31:28, status changed: 2018-12-24 05:54:27
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Chain sequence(s) A: HHSSGLEVLFQGPGSDAPEEEDHVLVLRKSNFAEALAAHKYLLVEFYAPWCGHCKALAPEYAKAAGKLKAEGSEIRLAKVDATEESDLAQQYGVRGYPTIKFFRNGDTASPKEYTAGREADDIVNWLKKRTGPAATTLPDGAAAESLVESSEVAVIGFFKDVESDSAKQFLQAAEAIDDIPFGITSNSDVFSKYQLDKDGVVLFKKFDEGRNNFEGEVTKENLLDFIKHNQLPLVIEAPKIFGGEIKTHILLFLPKSVSDYDGKLSNFKTAAESFKGKILFIFIDSDHTDNQRILEFFGLKKEECPAVRLITLEMTKYKPESEELTAERITEFCHRFLEGKIKPHLMSQELPEDWDKQPVKVLVGKNFEDVAFDEKKNVFVEFCAPWCGHCKQLAPIWDKLGETYKDHENIVIAKMDSTANEVEAVKVHSFPTLKFFPASADRTVIDYNGERTLDGFKKFLESGGQDGA
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues LA6V
Energy difference between WT (input) and mutated protein (by FoldX) 0.333291 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
-3.9607
Maximal score value
2.5417
Average score
-1.403
Total score value
-657.9865

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 H A -1.6343
2 H A -1.6142
3 S A -0.8803
4 S A -0.8898
5 G A -0.5446
6 V A 0.6932 mutated: LA6V
7 E A 0.0904
8 V A 2.1611
9 L A 2.5417
10 F A 1.9151
11 Q A -0.1339
12 G A -0.9227
13 P A -1.0588
14 G A -1.1423
15 S A -1.9546
16 D A -2.3824
17 A A -1.8684
18 P A -2.3835
19 E A -3.3209
20 E A -3.7747
21 E A -3.2611
22 D A -3.2702
23 H A -3.2024
24 V A 0.0000
25 L A 0.0000
26 V A -1.5112
27 L A 0.0000
28 R A -1.8799
29 K A -2.8025
30 S A -1.9083
31 N A -1.9198
32 F A 0.0000
33 A A -1.4596
34 E A -1.8648
35 A A 0.0000
36 L A 0.0000
37 A A -1.6404
38 A A -1.0005
39 H A -1.7995
40 K A -2.6850
41 Y A -1.6186
42 L A 0.0000
43 L A 0.0000
44 V A 0.0000
45 E A 0.0000
46 F A 0.0000
47 Y A -0.2299
48 A A 0.0000
49 P A -0.1217
50 W A 0.6367
51 C A -0.2924
52 G A -1.1581
53 H A -1.6550
54 C A 0.0000
55 K A -1.9425
56 A A -1.5269
57 L A 0.0000
58 A A -1.4285
59 P A -1.5579
60 E A -2.2744
61 Y A 0.0000
62 A A -1.9723
63 K A -3.1539
64 A A 0.0000
65 A A 0.0000
66 G A -2.6902
67 K A -2.7949
68 L A 0.0000
69 K A -3.4718
70 A A -2.1944
71 E A -3.1120
72 G A -2.5453
73 S A -2.4250
74 E A -2.7748
75 I A 0.0000
76 R A -1.4571
77 L A 0.0000
78 A A 0.0000
79 K A -0.5816
80 V A 0.0000
81 D A -1.0836
82 A A 0.0000
83 T A -1.2651
84 E A -2.6091
85 E A -2.5590
86 S A -2.5608
87 D A -3.3004
88 L A 0.0000
89 A A 0.0000
90 Q A -2.9934
91 Q A -2.3913
92 Y A -1.5800
93 G A -1.9585
94 V A 0.0000
95 R A -2.3198
96 G A -1.2265
97 Y A -0.3886
98 P A -0.6259
99 T A -0.7324
100 I A 0.0000
101 K A -1.1433
102 F A 0.0000
103 F A 0.0000
104 R A -2.0898
105 N A -2.6617
106 G A -2.3089
107 D A -2.4904
108 T A -1.1537
109 A A -0.7077
110 S A -1.2120
111 P A -1.3048
112 K A -1.8035
113 E A -2.2180
114 Y A 0.0000
115 T A -0.9066
116 A A -1.2125
117 G A -2.1803
118 R A -3.4056
119 E A -3.8782
120 A A 0.0000
121 D A -3.2958
122 D A -3.0733
123 I A 0.0000
124 V A 0.0000
125 N A -2.1943
126 W A -1.7231
127 L A 0.0000
128 K A -2.6523
129 K A -2.9623
130 R A -2.3069
131 T A -1.9619
132 G A -1.3153
133 P A -0.9637
134 A A -1.1000
135 A A 0.0000
136 T A -0.1756
137 T A -0.3065
138 L A 0.0000
139 P A -1.1681
140 D A -2.0473
141 G A 0.0000
142 A A -0.7013
143 A A -0.9158
144 A A 0.0000
145 E A -1.8051
146 S A -1.2366
147 L A -0.8652
148 V A -1.5910
149 E A -2.7048
150 S A -1.7435
151 S A -2.0014
152 E A -2.7370
153 V A 0.0000
154 A A 0.0000
155 V A 0.0000
156 I A 0.0000
157 G A 0.0000
158 F A 0.0000
159 F A 0.0000
160 K A -3.2035
161 D A -3.1409
162 V A -1.8830
163 E A -3.0013
164 S A -2.8979
165 D A -3.0263
166 S A -2.4745
167 A A 0.0000
168 K A -2.9967
169 Q A -2.5053
170 F A 0.0000
171 L A -1.3051
172 Q A -1.6300
173 A A 0.0000
174 A A 0.0000
175 E A -1.2999
176 A A -0.9303
177 I A -1.3681
178 D A -2.9453
179 D A -2.5942
180 I A 0.0000
181 P A -0.9380
182 F A 0.0000
183 G A 0.0000
184 I A 0.0000
185 T A 0.0000
186 S A -1.8716
187 N A -1.9842
188 S A -2.1885
189 D A -2.8613
190 V A 0.0000
191 F A 0.0000
192 S A -2.3571
193 K A -2.3195
194 Y A 0.0000
195 Q A -2.2898
196 L A -2.2743
197 D A -2.9469
198 K A -3.2961
199 D A -2.5314
200 G A -1.9683
201 V A 0.0000
202 V A 0.0000
203 L A 0.0000
204 F A 0.0000
205 K A 0.0000
206 K A -3.1774
207 F A -2.1482
208 D A -2.8862
209 E A -3.0860
210 G A -2.3119
211 R A -2.0467
212 N A -1.6231
213 N A -1.7890
214 F A -1.7161
215 E A -2.7084
216 G A -2.2764
217 E A -2.7311
218 V A -2.2986
219 T A -2.4115
220 K A -2.6071
221 E A -3.0876
222 N A -2.8935
223 L A 0.0000
224 L A -1.8809
225 D A -2.9597
226 F A -2.1713
227 I A 0.0000
228 K A -2.1606
229 H A -2.4083
230 N A -1.4390
231 Q A -0.9847
232 L A -0.4883
233 P A -0.7863
234 L A -1.0131
235 V A -0.6108
236 I A 0.0000
237 E A -1.5793
238 A A -0.1251
239 P A 0.0034
240 K A -0.4969
241 I A 0.1567
242 F A 1.1730
243 G A -0.2877
244 G A -1.0628
245 E A -2.1295
246 I A -1.5691
247 K A -1.7819
248 T A -1.2789
249 H A -0.4156
250 I A 0.0000
251 L A -0.0310
252 L A 0.0000
253 F A 0.0000
254 L A 0.0000
255 P A -1.8616
256 K A -2.6360
257 S A -1.5626
258 V A -1.3030
259 S A -1.5167
260 D A -2.6811
261 Y A -2.1845
262 D A -2.8472
263 G A -2.1050
264 K A -1.8193
265 L A -1.4915
266 S A -1.6262
267 N A -1.6592
268 F A 0.0000
269 K A -1.9211
270 T A -1.6249
271 A A 0.0000
272 A A 0.0000
273 E A -2.5505
274 S A -1.9714
275 F A 0.0000
276 K A -2.8529
277 G A -2.3789
278 K A -2.6558
279 I A 0.0000
280 L A -0.8404
281 F A 0.0000
282 I A 0.0000
283 F A -0.3559
284 I A -0.8024
285 D A -1.9834
286 S A 0.0000
287 D A -3.2389
288 H A -2.8770
289 T A -2.4930
290 D A -3.0279
291 N A -2.7147
292 Q A -3.5816
293 R A -2.8774
294 I A -1.3923
295 L A 0.0000
296 E A -2.9063
297 F A -0.9664
298 F A 0.0000
299 G A -1.7203
300 L A 0.0000
301 K A -3.8180
302 K A -3.8160
303 E A -3.7787
304 E A -3.5244
305 C A -2.1977
306 P A -1.0754
307 A A -1.1963
308 V A 0.0000
309 R A -0.4159
310 L A 0.0000
311 I A 0.0000
312 T A -0.6701
313 L A -0.7897
314 E A -1.9668
315 M A -0.7696
316 T A -0.7708
317 K A -0.3815
318 Y A -0.8851
319 K A -1.5197
320 P A -2.3487
321 E A -3.0745
322 S A -2.5281
323 E A -3.1063
324 E A -2.9207
325 L A -1.5608
326 T A -1.7947
327 A A 0.0000
328 E A -2.8754
329 R A -3.2754
330 I A 0.0000
331 T A -1.9852
332 E A -2.3765
333 F A 0.0000
334 C A 0.0000
335 H A -1.5470
336 R A -2.1826
337 F A -1.3882
338 L A -0.8769
339 E A -2.3143
340 G A -2.2798
341 K A -2.9079
342 I A 0.0000
343 K A -2.5181
344 P A -1.4601
345 H A -0.7786
346 L A -0.4634
347 M A -0.6315
348 S A -1.3501
349 Q A -2.0707
350 E A -2.6422
351 L A -1.8153
352 P A -2.0744
353 E A -3.3237
354 D A -3.8051
355 W A -2.6069
356 D A -3.4167
357 K A -3.8385
358 Q A -3.4094
359 P A -3.0410
360 V A 0.0000
361 K A -1.7739
362 V A -0.8875
363 L A 0.0000
364 V A 0.0000
365 G A -1.8358
366 K A -2.5032
367 N A 0.0000
368 F A 0.0000
369 E A -2.0847
370 D A -2.5473
371 V A -1.6152
372 A A 0.0000
373 F A -2.1929
374 D A -2.9974
375 E A -3.9607
376 K A -3.5084
377 K A -2.4665
378 N A -1.5021
379 V A 0.0000
380 F A 0.0000
381 V A 0.0000
382 E A 0.0000
383 F A 0.0000
384 C A -0.4232
385 A A 0.0000
386 P A -0.1983
387 W A -0.1114
388 C A -0.7277
389 G A -1.6677
390 H A -2.0384
391 C A 0.0000
392 K A -2.6800
393 Q A -2.4910
394 L A 0.0000
395 A A -1.5923
396 P A -1.3610
397 I A -1.3389
398 W A 0.0000
399 D A -2.4668
400 K A -2.3952
401 L A 0.0000
402 G A 0.0000
403 E A -3.5730
404 T A -2.3257
405 Y A 0.0000
406 K A -3.8135
407 D A -3.6749
408 H A -2.9919
409 E A -3.3034
410 N A -2.6053
411 I A -1.8111
412 V A -0.9177
413 I A 0.0000
414 A A 0.0000
415 K A -0.6820
416 M A 0.0000
417 D A -0.5606
418 S A 0.0000
419 T A 0.0000
420 A A -0.6932
421 N A 0.0000
422 E A -0.7818
423 V A 0.0000
424 E A -1.9290
425 A A -1.1799
426 V A 0.0000
427 K A -1.0713
428 V A -0.3347
429 H A -1.0762
430 S A -0.4312
431 F A -0.1799
432 P A 0.0000
433 T A -0.6156
434 L A 0.0000
435 K A -0.9021
436 F A 0.0000
437 F A 0.0000
438 P A -1.3965
439 A A -2.3915
440 S A -2.2733
441 A A -2.0174
442 D A -3.2921
443 R A -2.8044
444 T A -1.0094
445 V A -0.2426
446 I A -0.7448
447 D A -1.9161
448 Y A 0.0000
449 N A -2.4397
450 G A -2.5065
451 E A -3.0860
452 R A -2.5136
453 T A -1.8109
454 L A -1.7826
455 D A -2.8136
456 G A -2.9325
457 F A 0.0000
458 K A -2.6380
459 K A -3.6907
460 F A 0.0000
461 L A 0.0000
462 E A -3.1096
463 S A -2.6070
464 G A -2.0336
465 G A -2.2707
466 Q A -2.6593
467 D A -3.2560
468 G A -2.9489
469 A A -2.1591

 

Laboratory of Theory of Biopolymers 2015