Project name: CH2 A3D [mutate: FA243K]

Status: done

submitted: 2018-11-18 12:02:52, status changed: 2018-11-18 12:09:20
Settings
Chain sequence(s) A: GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQ
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues FA243K
Energy difference between WT (input) and mutated protein (by FoldX) 0.604346 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
-3.5103
Maximal score value
1.8177
Average score
-1.1029
Total score value
-118.0095

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
236 G A -0.8024
237 G A -0.8543
238 P A 0.0000
239 S A -0.1683
240 V A 0.0000
241 F A 0.9274
242 L A 0.0000
243 K A -1.3732 mutated: FA243K
244 P A -1.8394
245 P A 0.0000
246 K A -2.6692
247 P A -1.5757
248 K A -1.6650
249 D A 0.0000
250 T A 0.0000
251 L A 1.0894
252 M A 1.1315
253 I A 1.8177
254 S A 0.2677
255 R A -1.3460
256 T A -0.7367
257 P A 0.0000
258 E A -1.3559
259 V A 0.0000
260 T A -0.5193
261 C A 0.0000
262 V A 0.0000
263 V A 0.0000
264 V A -0.4102
265 D A -1.4709
266 V A 0.0000
267 S A -2.1440
268 H A -2.2502
269 E A -2.8808
270 D A -2.6281
271 P A -2.4339
272 E A -3.0464
273 V A -1.9436
274 K A -2.2497
275 F A -1.2981
276 N A -1.4668
277 W A 0.0000
278 Y A -0.9098
279 V A -0.9566
280 D A -1.9563
281 G A -0.9064
282 V A 0.3523
283 E A -1.2378
284 V A -0.6698
285 H A -1.7594
286 N A -1.6613
287 A A -1.5996
288 K A -2.3131
289 T A -1.9887
290 K A -2.6070
291 P A -2.4242
292 R A -3.3450
293 E A -3.5103
294 E A -2.9865
295 Q A -1.6224
296 Y A 0.1577
297 N A -0.7780
298 S A -1.1695
299 T A -1.8259
300 Y A -2.3318
301 R A -2.2544
302 V A 0.0000
303 V A 0.0000
304 S A 0.0000
305 V A -1.0415
306 L A 0.0000
307 T A -0.4632
308 V A 0.0000
309 L A 1.0195
310 H A 0.5009
311 Q A -0.5316
312 D A -1.2991
313 W A 0.0000
314 L A -0.5332
315 N A -1.8670
316 G A -2.3342
317 K A -2.3535
318 E A -2.7016
319 Y A 0.0000
320 K A -1.7819
321 C A 0.0000
322 K A -1.7878
323 V A 0.0000
324 S A -1.5175
325 N A 0.0000
326 K A -2.5631
327 A A -1.4094
328 L A -0.6425
329 P A -0.4355
330 A A -0.4354
331 P A -0.9801
332 I A -0.6502
333 E A -2.0150
334 K A -1.5884
335 T A -1.8053
336 I A 0.0000
337 S A -2.7352
338 K A -2.8506
339 A A -1.9935
340 K A -2.6748
341 G A -2.4726
342 Q A -1.8680

 

Laboratory of Theory of Biopolymers 2015