Project name: ATIII_CtermCys [mutate: CA247A, CA430A]

Status: done

submitted: 2018-11-29 15:38:11, status changed: 2018-11-29 15:57:20
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Chain sequence(s) A: GSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues CA247A, CA430A
Energy difference between WT (input) and mutated protein (by FoldX) 5.3489 kcal/mol

CAUTION: Your mutation/s can destabilize the protein structure

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
-4.4029
Maximal score value
2.0897
Average score
-1.0467
Total score value
-451.1149

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
2 G A -0.7171
3 S A -0.5859
4 P A -0.3784
5 V A -0.3938
6 D A -1.5049
7 I A -0.9781
8 C A -1.1598
9 T A -0.7791
10 A A -1.8312
11 K A -3.0744
12 P A -2.4677
13 R A -3.3546
14 D A -3.0550
15 I A -1.6060
16 P A -1.2234
17 M A -0.7616
18 N A -0.7781
19 P A 0.2744
20 M A 1.0393
21 C A 0.9250
22 I A 1.2916
23 Y A -0.3580
24 R A -1.8978
25 S A -2.0666
26 P A -2.5554
27 E A -3.5072
28 K A -3.3684
29 K A -2.7123
30 A A -2.0471
31 T A -2.1100
32 E A -3.0437
33 D A -3.3160
34 E A -3.5785
35 G A -2.8350
36 S A -2.9060
37 E A -3.4046
38 Q A -2.9054
39 K A -3.1172
40 I A -2.1274
41 P A -1.7156
42 E A -2.2551
43 A A -1.1253
44 T A -1.2958
45 N A -1.6656
46 R A -2.1588
47 R A -1.9619
48 V A 0.0000
49 W A -1.0518
50 E A -1.0234
51 L A 0.0000
52 S A 0.0000
53 K A -1.1373
54 A A 0.0000
55 N A 0.0000
56 S A -0.7854
57 R A -0.8634
58 F A 0.0000
59 A A 0.0000
60 T A 0.0000
61 T A -0.6105
62 F A 0.0000
63 Y A 0.0000
64 Q A -1.7767
65 H A -1.9993
66 L A 0.0000
67 A A -2.3815
68 D A -3.0776
69 S A -2.0962
70 K A -2.7687
71 N A -3.1612
72 D A -3.3226
73 N A -2.6454
74 D A -2.3810
75 N A -1.9732
76 I A 0.0000
77 F A 0.0000
78 L A 0.0000
79 S A 0.0000
80 P A 0.0000
81 L A 0.0000
82 S A 0.0000
83 I A 0.0000
84 S A 0.0000
85 T A 0.0000
86 A A 0.0000
87 F A 0.0000
88 A A 0.0000
89 M A 0.0000
90 T A 0.0000
91 K A 0.0000
92 L A 0.0000
93 G A 0.0000
94 A A 0.0000
95 C A -0.9050
96 N A -2.4042
97 D A -3.0224
98 T A 0.0000
99 L A 0.0000
100 Q A -2.3244
101 Q A -1.9566
102 L A 0.0000
103 M A 0.0000
104 E A -2.5865
105 V A 0.0000
106 F A 0.0000
107 K A -1.5030
108 F A 0.0000
109 D A -2.2611
110 T A -1.2010
111 I A 0.0000
112 S A 0.0000
113 E A -2.8580
114 K A -2.6759
115 T A 0.0000
116 S A 0.0000
117 D A -1.1861
118 Q A -0.7390
119 I A 0.0000
120 H A 0.0000
121 F A 0.0000
122 F A 0.0000
123 F A 0.0000
124 A A 0.0000
125 K A -1.2612
126 L A 0.0000
127 N A -1.0435
128 C A -1.7954
129 R A -2.6723
130 L A 0.0000
131 Y A -1.5248
132 R A -3.1016
133 K A -3.3922
134 A A -2.2569
135 N A -2.7364
136 K A -2.7193
137 S A -1.6091
138 S A -2.1557
139 K A -1.6685
140 L A -0.5054
141 V A -0.1541
142 S A 0.0870
143 A A 0.0000
144 N A -0.3284
145 R A -0.4533
146 L A 0.0000
147 F A 0.0000
148 G A 0.0000
149 D A 0.0000
150 K A -1.9479
151 S A -1.4510
152 L A -1.4683
153 T A -1.1318
154 F A -1.0687
155 N A -1.5551
156 E A -2.6074
157 T A -1.7498
158 Y A 0.0000
159 Q A -2.3835
160 D A -2.9356
161 I A -1.6280
162 S A 0.0000
163 E A -2.3245
164 L A -1.1804
165 V A 0.0000
166 Y A -0.8069
167 G A -1.5171
168 A A -1.2610
169 K A -1.7448
170 L A 0.0000
171 Q A -0.6313
172 P A -0.8247
173 L A -1.2980
174 D A -2.6082
175 F A 0.0000
176 K A -3.4284
177 E A -3.7030
178 N A -3.4064
179 A A 0.0000
180 E A -3.7683
181 Q A -2.6493
182 S A 0.0000
183 R A -2.4140
184 A A -1.8514
185 A A -1.2747
186 I A 0.0000
187 N A -1.7493
188 K A -2.4450
189 W A -1.4470
190 V A 0.0000
191 S A -2.7423
192 N A -3.1059
193 K A -2.3110
194 T A 0.0000
195 E A -3.1390
196 G A -2.8563
197 R A -2.6993
198 I A 0.0000
199 T A -1.9256
200 D A -1.9946
201 V A 0.0000
202 I A 0.0000
203 P A -1.3770
204 S A -1.8914
205 E A -2.6039
206 A A -1.6034
207 I A 0.0000
208 N A -3.0843
209 E A -3.2381
210 L A -0.3309
211 T A -0.4367
212 V A -0.5891
213 L A 0.0000
214 V A 0.0000
215 L A 0.0000
216 V A 0.0000
217 N A 0.0000
218 T A 0.0000
219 I A 0.0000
220 Y A 0.0000
221 F A 0.0000
222 K A -0.9073
223 G A 0.0000
224 L A -1.0686
225 W A 0.0000
226 K A -2.0210
227 S A -1.7809
228 K A -1.7674
229 F A 0.0000
230 S A -1.2746
231 P A -1.2335
232 E A -1.6344
233 N A -1.2271
234 T A 0.0000
235 R A -0.6136
236 K A -0.8100
237 E A -0.8660
238 L A 0.1043
239 F A 0.0000
240 Y A -0.2825
241 K A -1.5915
242 A A -2.0892
243 D A -2.8476
244 G A -2.1198
245 E A -2.5299
246 S A -1.0747
247 A A -0.0900 mutated: CA247A
248 S A 0.1231
249 A A 0.0000
250 S A -0.2178
251 M A 0.0000
252 M A 0.0000
253 Y A -1.0581
254 Q A -1.4830
255 E A -2.0870
256 G A -1.7789
257 K A -2.4023
258 F A 0.0000
259 R A -2.6676
260 Y A 0.0000
261 R A -2.5708
262 R A -2.5347
263 V A -1.5957
264 A A -1.1513
265 E A -2.3535
266 G A -2.1196
267 T A 0.0000
268 Q A -1.4594
269 V A 0.0000
270 L A 0.0000
271 E A 0.0000
272 L A 0.0000
273 P A -1.3021
274 F A 0.0000
275 K A -2.4712
276 G A -2.3214
277 D A -2.2661
278 D A -1.9578
279 I A 0.0000
280 T A 0.0000
281 M A 0.0000
282 V A 0.0000
283 L A 0.0000
284 I A 0.0000
285 L A 0.0000
286 P A 0.0000
287 K A -2.6788
288 P A -1.8898
289 E A -2.6005
290 K A -2.4607
291 S A -1.7006
292 L A 0.0000
293 A A -2.0429
294 K A -2.6277
295 V A 0.0000
296 E A 0.0000
297 K A -3.3249
298 E A -2.7663
299 L A 0.0000
300 T A -1.3030
301 P A -1.5257
302 E A -2.3371
303 V A -1.4570
304 L A 0.0000
305 Q A -2.5138
306 E A -3.2888
307 W A -2.4299
308 L A -2.4395
309 D A -3.5652
310 E A -3.9380
311 L A 0.0000
312 E A -3.7492
313 E A -3.1783
314 M A -1.3896
315 M A -0.8325
316 L A 0.0000
317 V A 0.0000
318 V A 0.0000
319 H A 0.0000
320 M A 0.0000
321 P A 0.0000
322 R A -0.3612
323 F A 0.0000
324 R A -1.4546
325 I A 0.0000
326 E A -2.3084
327 D A -1.7817
328 G A -1.3691
329 F A -0.8484
330 S A -0.8956
331 L A 0.0000
332 K A -1.6578
333 E A -2.6076
334 Q A -2.0431
335 L A 0.0000
336 Q A -1.6973
337 D A -2.5362
338 M A -1.3234
339 G A -0.9290
340 L A 0.0000
341 V A -0.3914
342 D A 0.0000
343 L A 0.0000
344 F A 0.0000
345 S A -1.3537
346 P A -2.2805
347 E A -3.3852
348 K A -3.3396
349 S A 0.0000
350 K A -2.5382
351 L A 0.0000
352 P A -0.6899
353 G A 0.0000
354 I A 0.0000
355 V A 0.0000
356 A A -1.7390
357 E A -3.4849
358 G A -2.7128
359 R A -3.6473
360 D A -4.4029
361 D A -4.1906
362 L A 0.0000
363 Y A -1.1437
364 V A 0.0000
365 S A 0.1284
366 D A -0.5427
367 A A 0.0000
368 F A 0.0000
369 H A 0.0000
370 K A -1.1306
371 A A 0.0000
372 F A -1.2608
373 L A 0.0000
374 E A -1.0048
375 V A 0.0000
376 N A 0.0000
377 E A 0.0000
378 E A -0.9026
379 G A 0.0000
380 S A 0.0000
381 E A 0.0000
382 A A -0.2216
383 A A -0.0152
384 A A -0.1339
385 S A 0.1463
386 T A 0.4859
387 A A 0.9371
388 V A 2.0897
389 V A 1.2757
390 I A 1.7058
391 A A 0.3436
392 G A -0.4459
393 R A -0.4844
394 S A 0.1264
395 L A 0.9654
396 N A -0.2089
397 P A -0.9139
398 N A -1.8434
399 R A -1.4706
400 V A 0.6705
401 T A 0.1240
402 F A 0.0000
403 K A -0.7278
404 A A 0.0000
405 N A -0.3347
406 R A -0.5898
407 P A -0.7156
408 F A 0.0000
409 L A 0.0000
410 V A 0.0000
411 F A 0.0000
412 I A 0.0000
413 R A 0.0000
414 E A 0.0000
415 V A -0.5131
416 P A -0.9159
417 L A 0.0000
418 N A -0.6014
419 T A 0.0000
420 I A 0.0000
421 I A 0.0000
422 F A 0.0000
423 M A 0.0000
424 G A 0.0000
425 R A 0.0000
426 V A 0.0000
427 A A 0.0000
428 N A -0.9306
429 P A -0.5425
430 A A 0.2966 mutated: CA430A
431 V A 0.8477
432 K A -0.9413

 

Laboratory of Theory of Biopolymers 2015