Project name: fa31fef091d39f1 [mutate: DA127A]

Status: done

submitted: 2019-01-29 11:44:10, status changed: 2019-01-29 11:54:06
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Chain sequence(s) A: MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLEVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues DA127A
Energy difference between WT (input) and mutated protein (by FoldX) 1.03049 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
-3.1105
Maximal score value
2.0336
Average score
-0.7559
Total score value
-209.3831

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 -3.1105
6 K A -2.7726
7 V A -1.3578
8 E A -2.6372
9 K A -2.4281
10 I A -0.6896
11 G A -1.2501
12 E A -1.9442
13 G A -0.9976
14 T A 0.0511
15 Y A 0.8413
16 G A 0.1167
17 V A -0.5133
18 V A -0.8180
19 Y A -1.5659
20 K A -1.2971
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 -0.2890
32 L A 0.0000
33 K A 0.0000
34 K A -0.1785
35 I A 0.5314
44 V A -0.3085
45 P A -0.4545
46 S A -0.6872
47 T A -0.9580
48 A A -0.6612
49 I A -0.7605
50 R A -2.0405
51 E A -1.6388
52 I A 0.0000
53 S A -1.2039
54 L A -0.6494
55 L A -1.0934
56 K A -2.0968
57 E A -2.3456
58 L A -1.5966
59 N A -2.1582
60 H A -1.2603
61 P A -0.8591
62 N A 0.0000
63 I A 0.0000
64 V A 0.0000
65 K A -1.6283
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 -2.3422
76 L A 0.0000
77 Y A -0.3439
78 L A 0.0000
79 V A 0.0000
80 F A 0.0562
81 E A -0.3183
82 F A 0.4277
83 L A 0.3850
84 H A -0.2011
85 Q A 0.0000
86 D A -1.0185
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 0.2615
110 Q A 0.0000
111 L A 0.0000
112 L A 0.0000
113 Q A -0.5487
114 G A 0.0000
115 L A 0.0000
116 A A 0.0000
117 F A -0.5298
118 C A 0.0000
119 H A 0.0000
120 S A -1.1490
121 H A -1.5185
122 R A -2.0041
123 V A -0.8060
124 L A -0.6313
125 H A 0.0000
126 R A -1.7570
127 A A -0.8845 mutated: DA127A
128 L A 0.0000
129 K A 0.0000
130 P A 0.0000
131 Q A -1.6720
132 N A 0.0000
133 L A 0.0000
134 L A -0.1775
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 -0.3678
143 L A 0.0000
144 A A -0.4028
145 D A -0.4591
146 F A -0.1915
147 G A -0.1542
148 L A 0.4353
162 E A -0.7035
163 V A 1.5731
164 V A 2.0336
165 T A 0.7685
166 L A 0.0918
167 W A -0.0735
168 Y A 0.0000
169 R A -0.7258
170 A A 0.0000
171 P A 0.0000
172 E A 0.0000
173 I A -0.4397
174 L A 0.0000
175 L A 0.0000
176 G A -0.7823
177 C A -0.4182
178 K A -0.8785
179 Y A 0.6762
180 Y A 0.2780
181 S A -0.3717
182 T A -0.6771
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 -0.7101
205 G A 0.0000
206 D A -1.7265
207 S A -1.6125
208 E A -1.8585
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 -1.2354
232 S A -0.8960
233 M A -0.9300
234 P A -1.4613
235 D A -2.1623
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 -1.1671
272 N A -2.0308
273 K A -2.0612
274 R A 0.0000
275 I A -0.9240
276 S A -0.9811
277 A A 0.0000
278 K A -1.6678
279 A A -0.7139
280 A A 0.0000
281 L A -0.4523
282 A A -0.4060
283 H A -0.6652
284 P A -1.0950
285 F A 0.0000
286 F A 0.0000
287 Q A -2.1067
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