Project name: fa31fef091d39f1 [mutate: KA33A]

Status: done

submitted: 2019-01-29 11:40:40, status changed: 2019-01-29 11:54:24
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Chain sequence(s) A: MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues KA33A
Energy difference between WT (input) and mutated protein (by FoldX) 1.57985 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
-3.0965
Maximal score value
1.7483
Average score
-0.7599
Total score value
-210.4949

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 -1.4568
2 E A -2.5221
3 N A -2.2179
4 F A -2.5047
5 Q A -3.0965
6 K A -2.7336
7 V A -1.3431
8 E A -2.6122
9 K A -2.3884
10 I A -0.6477
11 G A -1.2123
12 E A -1.8974
13 G A -1.0188
14 T A 0.0245
15 Y A 0.9506
16 G A 0.1884
17 V A -0.4371
18 V A -0.6864
19 Y A -1.5065
20 K A -1.2568
21 A A 0.0000
22 R A -2.9728
23 N A -2.5913
24 K A -2.5384
25 L A 0.0707
26 T A -0.6179
27 G A -1.3920
28 E A -2.1920
29 V A -1.3888
30 V A 0.0000
31 A A 0.0000
32 L A 0.0000
33 A A 0.0000 mutated: KA33A
34 K A -0.1270
35 I A 0.5832
44 V A -0.3024
45 P A -0.4505
46 S A -0.6854
47 T A -0.9570
48 A A -0.6430
49 I A -0.7498
50 R A -2.0405
51 E A -1.6224
52 I A 0.0000
53 S A -1.2030
54 L A -0.6494
55 L A -1.0802
56 K A -2.0952
57 E A -2.3451
58 L A -1.5959
59 N A -2.1580
60 H A -1.2610
61 P A -0.8601
62 N A 0.0000
63 I A 0.0000
64 V A 0.0000
65 K A -1.5989
66 L A -1.0204
67 L A -0.5837
68 D A -1.1638
69 V A -0.3104
70 I A -0.6951
71 H A -1.4824
72 T A -1.8525
73 E A -2.8362
74 N A -2.7333
75 K A -2.3355
76 L A 0.0000
77 Y A -0.3241
78 L A 0.0000
79 V A 0.0000
80 F A 0.1665
81 E A -0.2693
82 F A 0.4507
83 L A 0.3964
84 H A -0.2013
85 Q A 0.0000
86 D A -1.0196
87 L A 0.0000
88 K A -2.0864
89 K A -2.3406
90 F A 0.0000
91 M A -1.7808
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 0.2595
110 Q A 0.0000
111 L A 0.0000
112 L A 0.0000
113 Q A -0.5498
114 G A 0.0000
115 L A 0.0000
116 A A 0.0000
117 F A -0.5320
118 C A 0.0000
119 H A 0.0000
120 S A -1.1607
121 H A -1.5240
122 R A -2.0076
123 V A -0.8079
124 L A -0.6987
125 H A 0.0000
126 R A -2.0188
127 D A -1.4413
128 L A 0.0000
129 K A 0.0000
130 P A 0.0000
131 Q A -1.7782
132 N A 0.0000
133 L A 0.0000
134 L A -0.1779
135 I A 0.0000
136 N A -0.6072
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 -0.3686
143 L A 0.0000
144 A A -0.6502
145 D A -0.9226
146 F A -0.4707
147 G A -0.2557
148 L A 0.4631
162 E A -0.7698
163 V A 1.4599
164 V A 1.7483
165 T A 0.6159
166 L A 0.0197
167 W A -0.0598
168 Y A 0.0000
169 R A -0.6791
170 A A 0.0000
171 P A 0.0000
172 E A 0.0000
173 I A -0.4067
174 L A 0.0000
175 L A 0.0000
176 G A -0.7819
177 C A -0.4179
178 K A -0.8784
179 Y A 0.6761
180 Y A 0.2776
181 S A -0.3709
182 T A -0.6782
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 -0.7097
205 G A 0.0000
206 D A -1.7512
207 S A -1.6121
208 E A -1.8414
209 I A -0.3651
210 D A -1.1519
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 -1.0555
224 E A -0.7683
225 V A 1.1182
226 V A 0.5411
227 W A 0.0000
228 P A -0.5607
229 G A -0.5705
230 V A 0.0000
231 T A -1.2339
232 S A -0.8953
233 M A -0.9298
234 P A -1.4613
235 D A -2.1621
236 Y A -1.6417
237 K A -1.9383
238 P A -1.4680
239 S A -1.0317
240 F A 0.0000
241 P A -1.2629
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 -1.1668
272 N A -2.0305
273 K A -2.0611
274 R A 0.0000
275 I A -0.9240
276 S A -0.9822
277 A A 0.0000
278 K A -1.6717
279 A A -0.7165
280 A A 0.0000
281 L A -0.4605
282 A A -0.4100
283 H A -0.6677
284 P A -1.0962
285 F A 0.0000
286 F A 0.0000
287 Q A -2.1076
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