Project name: CH2 A3D [mutate: KA340S, AA339K, KA338I]

Status: done

submitted: 2018-11-18 10:49:40, status changed: 2018-11-18 10:54:24
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Chain sequence(s) A: GGPSVFLFPPKPKDTLMISRTPEVTCVVVDVSHEDPEVKFNWYVDGVEVHNAKTKPREEQYNSTYRVVSVLTVLHQDWLNGKEYKCKVSNKALPAPIEKTISKAKGQ
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KA340S, AA339K, KA338I
Energy difference between WT (input) and mutated protein (by FoldX) 0.0968085 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
-3.5319
Maximal score value
1.8177
Average score
-0.9241
Total score value
-98.8834

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 -0.8570
238 P A 0.0000
239 S A -0.2828
240 V A 0.0000
241 F A 0.9834
242 L A 0.0000
243 F A 0.8250
244 P A -0.1242
245 P A 0.0000
246 K A -2.3793
247 P A -1.2117
248 K A -1.6650
249 D A 0.0000
250 T A 0.0000
251 L A 1.1179
252 M A 1.1315
253 I A 1.8177
254 S A 0.2677
255 R A -1.3465
256 T A -0.7379
257 P A 0.0000
258 E A -1.0436
259 V A 0.0000
260 T A 0.2268
261 C A 0.0000
262 V A 0.0000
263 V A 0.0000
264 V A -0.5222
265 D A -1.4934
266 V A 0.0000
267 S A -2.1538
268 H A -2.2511
269 E A -2.8808
270 D A -2.6281
271 P A -2.4401
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 -0.9565
280 D A -1.9474
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 -1.5995
288 K A -2.3114
289 T A -1.9852
290 K A -2.6059
291 P A -2.4287
292 R A -3.3601
293 E A -3.5319
294 E A -3.0035
295 Q A -1.6338
296 Y A 0.1595
297 N A -0.7769
298 S A -1.1746
299 T A -1.8410
300 Y A -2.3638
301 R A -2.3153
302 V A 0.0000
303 V A 0.0000
304 S A 0.0000
305 V A -0.7901
306 L A 0.0000
307 T A -0.4655
308 V A 0.0000
309 L A 1.0470
310 H A 0.5530
311 Q A -0.4517
312 D A -0.8748
313 W A 0.0000
314 L A 0.2170
315 N A -1.4179
316 G A -1.4176
317 K A -1.9451
318 E A -2.1970
319 Y A 0.0000
320 K A -1.7817
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 -0.6968
333 E A -2.0709
334 K A -1.4466
335 T A -1.3990
336 I A 0.0000
337 S A -0.9238
338 I A 0.0854 mutated: KA338I
339 K A -1.3828 mutated: AA339K
340 S A -1.0535 mutated: KA340S
341 G A -0.9207
342 Q A -0.8563

 

Laboratory of Theory of Biopolymers 2015