Project name: gene? [mutate: LV131A, VQ15A]

Status: done

Started: 2026-04-27 07:50:37
Settings
Chain sequence(s) A: MALAAAATTFRPRLVVTAKADNTDTRRRHWKAGEFPFPTSSDTPRRSARTAERPPDKPRDEDGDSSRRTGRRHWKAGEFPGTQEDSRRPRRSPIKNVKKRLDARAEAKAWACTVTEALADRIDAKNWQEALQVFQMLKEQPFYHPKEGTFMKLLLLLGRSGQPSRARYLFDEMLQQGCQPTPELYTALIAAYCRNGLLDDAFRLLADMKASPVCQPDVYTYSTIIKACVDASRFDIVDAMYKDMADRSIAPNTVTQNIVLSGYGRAGRLDDMEKVLSAMLDSTTSKPDVWTMNIILSLFGNRGQIESMEKWYEKFRGYGIEPETRTLNILIGAYGKKRMYDKMSAVMEYMRKLAFPWTTATFNNVIEAFADAGDAKNMEHTFNQMRAEGMKPDTKTFCCLINGFGNAGLFHKVVGMVKLAERLGVPMDTTFHNAVLMTCVKAEDLMEMERVFMRMKQIQCIPDATTYSILVGAYRKEGMTDKIYVLQQENPTLVPTDLVHV
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Mutated residues VQ15A,LV131A
Energy difference between WT (input) and mutated protein (by FoldX) 2.54991 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:00)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:00)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:00)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:00)
[INFO]       FoldX:    Building mutant model                                                       (00:06:09)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:06:21)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:45)
Show buried residues

Minimal score value
-4.2036
Maximal score value
1.8686
Average score
-1.1049
Total score value
-553.5599

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 1.4399
2 A A 1.4663
3 L A 1.8686
4 A A 0.8948
5 A A 0.4384
6 A A 0.2716
7 A A 0.2937
8 T A 0.2702
9 T A 0.3486
10 F A 0.7699
11 R A -1.3003
12 P A -1.1678
13 R A -1.5444
14 L A 0.2565
15 Q A -0.1221 mutated: VQ15A
16 V A 1.1514
17 T A 0.2025
18 A A -0.6688
19 K A -2.0423
20 A A -1.9308
21 D A -3.0290
22 N A -2.7613
23 T A -2.2561
24 D A -3.1680
25 T A -2.8008
26 R A -3.9547
27 R A -4.1197
28 R A -3.7245
29 H A -2.8610
30 W A -1.7816
31 K A -2.3741
32 A A -1.5776
33 G A -1.1901
34 E A -1.2790
35 F A -0.2395
36 P A 0.3730
37 F A 1.3431
38 P A 0.2417
39 T A -0.6985
40 S A -0.6390
41 S A -1.2821
42 D A -2.2536
43 T A -1.7625
44 P A -2.1194
45 R A -3.1211
46 R A -2.8980
47 S A -2.0236
48 A A -1.5636
49 R A -1.8884
50 T A -1.3703
51 A A -1.7252
52 E A -2.7744
53 R A -3.0755
54 P A -2.0572
55 P A -2.2165
56 D A -3.0601
57 K A -3.1151
58 P A -2.7941
59 R A -3.8125
60 D A -4.0856
61 E A -4.2036
62 D A -3.8913
63 G A -2.6139
64 D A -2.5796
65 S A -1.6971
66 S A -2.0232
67 R A -2.9900
68 R A -3.1892
69 T A -2.2671
70 G A -2.7237
71 R A -3.2215
72 R A -3.2159
73 H A -2.1323
74 W A -1.2314
75 K A -1.9611
76 A A -0.7986
77 G A -0.6976
78 E A -0.6603
79 F A 0.8681
80 P A 0.0954
81 G A -0.6647
82 T A -1.2962
83 Q A -2.6851
84 E A -3.5804
85 D A -3.4606
86 S A -2.9322
87 R A -3.6419
88 R A -3.4845
89 P A -2.9082
90 R A -3.5763
91 R A -3.2852
92 S A -1.6495
93 P A -0.9668
94 I A -0.2080
95 K A -2.2101
96 N A -2.2811
97 V A -0.7131
98 K A -2.6801
99 K A -3.4423
100 R A -2.7662
101 L A -1.9586
102 D A -3.5141
103 A A -2.8689
104 R A -3.0877
105 A A -2.5213
106 E A -2.8938
107 A A -1.7850
108 K A -1.8171
109 A A -1.0902
110 W A -0.7776
111 A A -0.4783
112 C A -0.4844
113 T A -0.4550
114 V A 0.0000
115 T A -0.8532
116 E A -1.8906
117 A A -1.6821
118 L A 0.0000
119 A A -2.2517
120 D A -3.2141
121 R A -2.8926
122 I A -2.5478
123 D A -3.1427
124 A A -2.4340
125 K A -3.3048
126 N A -2.5109
127 W A -2.0776
128 Q A -2.1895
129 E A -2.3522
130 A A 0.0000
131 V A -1.1440 mutated: LV131A
132 Q A -1.6340
133 V A 0.0000
134 F A 0.0000
135 Q A -1.2745
136 M A -0.7468
137 L A 0.0000
138 K A -1.4846
139 E A -2.0786
140 Q A -1.0862
141 P A -0.5695
142 F A -0.0013
143 Y A -0.5395
144 H A -1.5353
145 P A 0.0000
146 K A -1.7901
147 E A -1.9681
148 G A -1.3060
149 T A 0.0000
150 F A 0.0000
151 M A -1.0378
152 K A -1.2338
153 L A 0.0000
154 L A 0.0000
155 L A -0.3282
156 L A 0.0000
157 L A 0.0000
158 G A 0.0000
159 R A -2.5196
160 S A -1.8435
161 G A -1.5726
162 Q A -1.2640
163 P A -1.1958
164 S A -0.6921
165 R A -0.8532
166 A A 0.0000
167 R A -0.8571
168 Y A 0.2479
169 L A 0.0000
170 F A 0.0000
171 D A -1.0655
172 E A -1.0784
173 M A 0.0000
174 L A -0.9330
175 Q A -1.9983
176 Q A -2.0997
177 G A -1.4651
178 C A -1.6300
179 Q A -1.2626
180 P A -0.7390
181 T A -0.8843
182 P A -0.8548
183 E A -1.8074
184 L A 0.0000
185 Y A 0.0000
186 T A -0.4203
187 A A 0.0000
188 L A 0.0000
189 I A 0.0000
190 A A 0.0000
191 A A 0.0000
192 Y A 0.0000
193 C A -1.5116
194 R A -2.7280
195 N A -1.6568
196 G A -1.3885
197 L A -0.6610
198 L A -1.2149
199 D A -2.3258
200 D A -2.0453
201 A A 0.0000
202 F A -1.5714
203 R A -2.9666
204 L A 0.0000
205 L A 0.0000
206 A A -1.7936
207 D A -2.4980
208 M A 0.0000
209 K A -1.6869
210 A A -0.8511
211 S A -0.3903
212 P A 0.3231
213 V A 1.2165
214 C A 0.0000
215 Q A -1.1160
216 P A 0.0000
217 D A -0.5826
218 V A 0.7927
219 Y A 1.1006
220 T A 0.0000
221 Y A 0.0000
222 S A 0.0000
223 T A -0.1563
224 I A 0.0000
225 I A 0.0000
226 K A -1.8487
227 A A -1.7184
228 C A 0.0000
229 V A 0.0000
230 D A -2.7843
231 A A -1.5137
232 S A -1.8734
233 R A -2.3909
234 F A 0.0000
235 D A -2.5604
236 I A -1.6289
237 V A 0.0000
238 D A -2.6847
239 A A -1.6555
240 M A -1.3061
241 Y A -1.5684
242 K A -2.7969
243 D A -2.3098
244 M A 0.0000
245 A A -2.0022
246 D A -3.1603
247 R A -3.1891
248 S A -1.7385
249 I A -0.9250
250 A A -0.1743
251 P A 0.3178
252 N A 0.1344
253 T A 0.0843
254 V A 1.4474
255 T A 0.0000
256 Q A 0.0000
257 N A 0.0000
258 I A 0.0356
259 V A 0.0000
260 L A 0.0000
261 S A -0.7470
262 G A 0.0000
263 Y A 0.0000
264 G A 0.0000
265 R A -2.3467
266 A A -1.4623
267 G A -1.5772
268 R A -2.0441
269 L A -1.7653
270 D A -2.7514
271 D A -2.1504
272 M A 0.0000
273 E A -2.2476
274 K A -2.4724
275 V A -1.3084
276 L A 0.0000
277 S A -1.3208
278 A A -1.3068
279 M A 0.0000
280 L A 0.0000
281 D A -2.0459
282 S A -1.2849
283 T A -0.8411
284 T A -0.7537
285 S A 0.0000
286 K A -1.8231
287 P A 0.0000
288 D A -0.6274
289 V A -0.2980
290 W A 0.5976
291 T A 0.0000
292 M A 0.0000
293 N A -0.2277
294 I A 0.4834
295 I A 0.0000
296 L A 0.0000
297 S A -0.3917
298 L A -0.9187
299 F A 0.0000
300 G A 0.0000
301 N A -2.1586
302 R A -2.0103
303 G A 0.0000
304 Q A -1.9826
305 I A 0.0000
306 E A -2.6167
307 S A -2.0221
308 M A 0.0000
309 E A -2.1620
310 K A -3.1484
311 W A 0.0000
312 Y A 0.0000
313 E A -3.0043
314 K A -2.1327
315 F A 0.0000
316 R A -1.8639
317 G A -1.2156
318 Y A -0.3705
319 G A -1.0089
320 I A -1.2698
321 E A -2.2284
322 P A 0.0000
323 E A -2.4377
324 T A -1.6035
325 R A -2.1715
326 T A 0.0000
327 L A 0.0000
328 N A 0.0000
329 I A -0.4494
330 L A 0.0000
331 I A 0.0000
332 G A -1.2638
333 A A 0.0000
334 Y A 0.0000
335 G A 0.0000
336 K A -3.3252
337 K A -2.9319
338 R A -3.1048
339 M A -1.7075
340 Y A -1.3559
341 D A -1.9207
342 K A -0.9964
343 M A 0.0000
344 S A -1.0653
345 A A -1.0474
346 V A 0.0000
347 M A -1.5967
348 E A -2.6361
349 Y A 0.0000
350 M A 0.0000
351 R A -2.8056
352 K A -2.3839
353 L A -0.6386
354 A A -0.6634
355 F A -0.4630
356 P A -0.3798
357 W A -0.5671
358 T A -0.4264
359 T A -0.6786
360 A A -0.5591
361 T A 0.0000
362 F A 0.0000
363 N A 0.0000
364 N A -1.0772
365 V A 0.0000
366 I A 0.0000
367 E A -2.2857
368 A A 0.0000
369 F A -1.7664
370 A A 0.0000
371 D A -3.0907
372 A A -1.8877
373 G A -1.6495
374 D A -1.6679
375 A A -1.7369
376 K A -2.4359
377 N A -1.9138
378 M A 0.0000
379 E A -1.9628
380 H A -2.2495
381 T A 0.0000
382 F A 0.0000
383 N A -2.2644
384 Q A -2.0595
385 M A 0.0000
386 R A -2.3910
387 A A -1.7510
388 E A -2.5930
389 G A -1.9728
390 M A -1.7904
391 K A -2.2904
392 P A 0.0000
393 D A -1.6894
394 T A -1.2878
395 K A -1.7516
396 T A 0.0000
397 F A 0.0000
398 C A 0.0000
399 C A 0.0000
400 L A 0.0000
401 I A 0.0000
402 N A -1.2293
403 G A 0.0000
404 F A 0.0000
405 G A -0.9300
406 N A -1.6278
407 A A -1.0346
408 G A -0.8605
409 L A -0.0982
410 F A -0.4063
411 H A -0.7047
412 K A -0.6462
413 V A 0.0000
414 V A 0.3628
415 G A -0.4626
416 M A -0.7319
417 V A 0.0000
418 K A -2.2581
419 L A -1.5387
420 A A 0.0000
421 E A -3.1622
422 R A -2.9391
423 L A -1.7282
424 G A -1.5613
425 V A 0.0000
426 P A -1.1065
427 M A -0.7702
428 D A -0.6928
429 T A -0.2286
430 T A -0.7075
431 F A 0.0000
432 H A 0.0000
433 N A -0.3691
434 A A 0.0000
435 V A 0.0000
436 L A 0.0000
437 M A -0.2270
438 T A 0.0000
439 C A 0.0000
440 V A -1.1899
441 K A -1.9620
442 A A -1.6450
443 E A -2.6775
444 D A -1.4162
445 L A -0.9245
446 M A -0.1678
447 E A -1.0189
448 M A 0.0000
449 E A -0.9081
450 R A -1.7459
451 V A 0.0000
452 F A 0.0000
453 M A -0.5869
454 R A -1.0800
455 M A 0.0000
456 K A -0.5570
457 Q A -1.1048
458 I A 0.3419
459 Q A -0.5788
460 C A 0.1745
461 I A 1.4534
462 P A 0.1945
463 D A -0.2453
464 A A -0.3150
465 T A -0.2853
466 T A 0.0000
467 Y A 0.0000
468 S A -0.1790
469 I A 0.0000
470 L A 0.0000
471 V A 0.0000
472 G A -1.1076
473 A A 0.0000
474 Y A 0.0000
475 R A -2.5902
476 K A -3.3814
477 E A -3.3390
478 G A -2.4727
479 M A -1.7984
480 T A -1.4149
481 D A -1.4637
482 K A -0.9137
483 I A 0.0000
484 Y A 0.6245
485 V A 0.7244
486 L A 0.0000
487 Q A -0.5698
488 Q A -1.2238
489 E A -1.4026
490 N A -1.1922
491 P A -0.8032
492 T A -0.4835
493 L A -0.2536
494 V A 0.0000
495 P A -0.7998
496 T A -0.7627
497 D A -1.5858
498 L A -0.4074
499 V A -0.4179
500 H A -0.5125
501 V A 0.9511
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Laboratory of Theory of Biopolymers 2018