Project name: fa31fef091d39f1 [mutate: DA127K]

Status: done

submitted: 2019-01-29 11:40:17, status changed: 2019-01-29 11:54:42
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Chain sequence(s) A: MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA127K
Energy difference between WT (input) and mutated protein (by FoldX) 1.92638 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
-3.1106
Maximal score value
1.4477
Average score
-0.766
Total score value
-212.1814

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 -1.4565
2 E A -2.5221
3 N A -2.2179
4 F A -2.5123
5 Q A -3.1106
6 K A -2.7735
7 V A -1.3580
8 E A -2.6386
9 K A -2.4311
10 I A -0.6893
11 G A -1.2456
12 E A -1.9414
13 G A -0.9934
14 T A -0.0429
15 Y A 0.7850
16 G A 0.0940
17 V A -0.5216
18 V A -0.8259
19 Y A -1.5707
20 K A -1.2991
21 A A 0.0000
22 R A -2.9787
23 N A -2.5952
24 K A -2.5416
25 L A 0.0707
26 T A -0.6179
27 G A -1.3920
28 E A -2.1917
29 V A -1.4024
30 V A 0.0000
31 A A -0.2911
32 L A 0.0000
33 K A 0.0000
34 K A -0.1889
35 I A 0.5124
44 V A -0.3088
45 P A -0.4545
46 S A -0.6872
47 T A -0.9580
48 A A -0.6585
49 I A -0.7600
50 R A -2.0405
51 E A -1.6348
52 I A 0.0000
53 S A -1.2039
54 L A -0.6472
55 L A -1.0891
56 K A -2.0968
57 E A -2.3456
58 L A -1.5952
59 N A -2.1570
60 H A -1.2584
61 P A -0.8591
62 N A 0.0000
63 I A 0.0000
64 V A 0.0000
65 K A -1.6284
66 L A -1.0660
67 L A -0.6207
68 D A -1.1862
69 V A -0.3246
70 I A -0.6976
71 H A -1.4848
72 T A -1.8541
73 E A -2.8388
74 N A -2.7381
75 K A -2.3428
76 L A 0.0000
77 Y A -0.3454
78 L A 0.0000
79 V A 0.0000
80 F A 0.0554
81 E A -0.3183
82 F A 0.4276
83 L A 0.3850
84 H A -0.2011
85 Q A 0.0000
86 D A -1.0186
87 L A 0.0000
88 K A -2.0861
89 K A -2.3402
90 F A 0.0000
91 M A -1.7807
92 D A -2.3651
93 A A -1.0110
94 S A -0.7054
95 A A -0.7242
96 L A 0.9886
97 T A 0.3928
98 G A -0.2356
99 I A 0.0000
100 P A 0.0436
101 L A 0.4211
102 P A -0.2936
103 L A 0.0000
104 I A 0.0000
105 K A 0.0000
106 S A 0.0000
107 Y A 0.0000
108 L A 0.0000
109 F A 0.2599
110 Q A 0.0000
111 L A 0.0000
112 L A 0.0000
113 Q A -0.5474
114 G A 0.0000
115 L A 0.0000
116 A A 0.0000
117 F A -0.5269
118 C A 0.0000
119 H A 0.0000
120 S A -1.1667
121 H A -1.5264
122 R A -2.0098
123 V A -0.7878
124 L A -0.6721
125 H A 0.0000
126 R A -1.9083
127 K A -1.4983 mutated: DA127K
128 L A 0.0000
129 K A 0.0000
130 P A 0.0000
131 Q A -1.7421
132 N A 0.0000
133 L A 0.0000
134 L A -0.1776
135 I A 0.0000
136 N A -0.6070
137 T A -0.8171
138 E A -1.6829
139 G A 0.0000
140 A A -0.5993
141 I A 0.0000
142 K A -0.3679
143 L A 0.0000
144 A A -0.4884
145 D A -0.5785
146 F A -0.3032
147 G A -0.1931
148 L A 0.4307
162 E A -0.8425
163 V A 1.3212
164 V A 1.4477
165 T A 0.4532
166 L A -0.0767
167 W A -0.1008
168 Y A 0.0000
169 R A -0.7069
170 A A 0.0000
171 P A 0.0000
172 E A 0.0000
173 I A -0.4048
174 L A 0.0000
175 L A 0.0000
176 G A -0.7872
177 C A -0.4215
178 K A -0.8801
179 Y A 0.6761
180 Y A 0.2958
181 S A -0.3534
182 T A -0.6563
183 A A 0.0000
184 V A 0.0000
185 D A 0.0000
186 I A 0.0000
187 W A 0.0000
188 S A 0.0000
189 L A 0.0000
190 G A 0.0000
191 C A 0.0000
192 I A 0.0000
193 F A 0.0000
194 A A 0.0000
195 E A -1.3321
196 M A 0.0000
197 V A -0.7382
198 T A -1.5241
199 R A -2.7662
200 R A -2.7146
201 A A -1.1935
202 L A -0.5885
203 F A 0.0000
204 P A -0.7102
205 G A 0.0000
206 D A -1.7822
207 S A -1.6125
208 E A -1.8447
209 I A -0.3651
210 D A -1.1520
211 Q A 0.0000
212 L A 0.0000
213 F A -0.8376
214 R A -1.4060
215 I A 0.0000
216 F A 0.0000
217 R A -2.6877
218 T A -2.1639
219 L A 0.0000
220 G A 0.0000
221 T A -1.3754
222 P A 0.0000
223 D A -1.0584
224 E A -0.7744
225 V A 1.1153
226 V A 0.5393
227 W A 0.0000
228 P A -0.5631
229 G A -0.5721
230 V A 0.0000
231 T A -1.2288
232 S A -0.8917
233 M A -0.9269
234 P A -1.4576
235 D A -2.1556
236 Y A -1.6260
237 K A -1.9051
238 P A -1.4519
239 S A -1.0205
240 F A 0.0000
241 P A -1.2590
242 K A -2.1672
243 W A -1.5403
244 A A -1.8502
245 R A -3.0430
246 Q A -2.9664
247 D A -2.9456
248 F A -1.9504
249 S A -1.9962
250 K A -2.3611
251 V A -1.2273
252 V A 0.0000
253 P A -1.1463
254 P A -1.0692
255 L A 0.0000
256 D A -2.3592
257 E A -2.9918
258 D A -2.5710
259 G A 0.0000
260 R A -1.7577
261 S A -1.4359
262 L A 0.0000
263 L A 0.0000
264 S A -0.7648
265 Q A -0.9065
266 M A 0.0000
267 L A 0.0000
268 H A -1.0244
269 Y A 0.0000
270 D A 0.0000
271 P A -1.1666
272 N A -2.0308
273 K A -2.0612
274 R A 0.0000
275 I A -0.9240
276 S A -0.9821
277 A A 0.0000
278 K A -1.6713
279 A A -0.7161
280 A A 0.0000
281 L A -0.4591
282 A A -0.4093
283 H A -0.6673
284 P A -1.0960
285 F A 0.0000
286 F A 0.0000
287 Q A -2.1075
288 D A -2.2430
289 V A -1.1551
290 T A -1.1062
291 K A -1.4860
292 P A -0.4410
293 V A 0.5556
294 P A 0.0000
295 H A -0.9880
296 L A -0.7352
297 R A -1.1942
298 L A 0.6907

 

Laboratory of Theory of Biopolymers 2015