Project name: 12_wo [mutate: PA112H]

Status: done

submitted: 2018-11-07 12:29:37, status changed: 2018-11-07 12:36:26
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Chain sequence(s) A: KTSDLIVLGLPWKTTEQDLKEYFSTFGEVLMVQVKKDLKTGHSKGFGFVRFTEYETQVKVMSQRHMIDGRWCDCKLPNSKQSQDEPLRSRKVFVGRCTEDMTEDELREFFSQYGDVMDVFIPKPFRAFAFVTFADDQIAQSLCGEDLIIKGISVHISNAEPKHNSNRQ
Distance of aggregation 10 Å
Dynamic mode No
Mutated residues PA112H
Energy difference between WT (input) and mutated protein (by FoldX) 3.23741 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
-3.5798
Maximal score value
0.6776
Average score
-1.2114
Total score value
-203.5163

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
102 K A -2.6849
103 T A -1.7729
104 S A 0.0000
105 D A 0.0000
106 L A 0.0000
107 I A 0.0078
108 V A 0.0000
109 L A -0.0261
110 G A -0.3948
111 L A 0.0000
112 H A -1.4501 mutated: PA112H
113 W A -0.8556
114 K A -1.9515
115 T A -1.8442
116 T A -1.5364
117 E A -1.9341
118 Q A -2.4620
119 D A -2.5743
120 L A 0.0000
121 K A -2.2550
122 E A -2.7102
123 Y A -1.3115
124 F A 0.0000
125 S A -1.1465
126 T A -0.6118
127 F A -0.5098
128 G A -1.2867
129 E A -1.8207
130 V A 0.0000
131 L A 0.6776
132 M A 0.0000
133 V A 0.0000
134 Q A 0.0000
135 V A -0.6011
136 K A -1.3447
137 K A -2.1095
138 D A -1.5102
139 L A -0.3334
140 K A -1.4168
141 T A -1.3303
142 G A -1.3519
143 H A -2.0314
144 S A -1.8725
145 K A -2.3867
146 G A 0.0000
147 F A 0.0000
148 G A 0.0000
149 F A 0.1462
150 V A 0.0000
151 R A -0.1431
152 F A 0.0000
153 T A -1.1887
154 E A -2.4317
155 Y A -1.7093
156 E A -2.1689
157 T A 0.0000
158 Q A 0.0000
159 V A -0.7175
160 K A -1.0849
161 V A 0.0000
162 M A -0.8521
163 S A -1.2248
164 Q A -2.2013
165 R A -2.2899
166 H A 0.0000
167 M A -0.3631
168 I A 0.0000
169 D A -2.5047
170 G A -1.5629
171 R A -1.3677
172 W A -0.3393
173 C A 0.0000
174 D A -1.1699
175 C A 0.0000
176 K A -1.0028
177 L A -0.4787
178 P A -0.9225
179 N A -1.6206
180 S A -1.2748
181 K A -1.6146
182 Q A -2.2765
183 S A -2.0845
184 Q A -3.0714
185 D A -3.5682
186 E A -2.8288
187 P A -1.3378
188 L A -0.2075
189 R A -2.4126
190 S A -3.1454
191 R A -3.0225
192 K A -2.4340
193 V A 0.0000
194 F A -0.0711
195 V A 0.0000
196 G A 0.0000
197 R A -1.2689
198 C A 0.0000
199 T A -1.6950
200 E A -2.6863
201 D A -2.9879
202 M A 0.0000
203 T A -1.8890
204 E A -1.9714
205 D A -3.2244
206 E A -3.0082
207 L A 0.0000
208 R A -3.0247
209 E A -3.2673
210 F A -1.8738
211 F A 0.0000
212 S A -1.6295
213 Q A -1.6888
214 Y A -0.4529
215 G A -1.2934
216 D A -1.9581
217 V A 0.0000
218 M A -0.7898
219 D A -1.8131
220 V A -1.0553
221 F A 0.3122
222 I A 0.0000
223 P A -0.8231
224 K A -1.8953
225 P A -1.6455
226 F A -1.3327
227 R A -1.8669
228 A A -0.8600
229 F A -0.0001
230 A A 0.0000
231 F A 0.2375
232 V A 0.0000
233 T A -1.3024
234 F A 0.0000
235 A A -1.6271
236 D A -2.5418
237 D A -3.5798
238 Q A -2.8899
239 I A -1.9191
240 A A 0.0000
241 Q A -2.2153
242 S A -1.3606
243 L A 0.0000
244 C A 0.0000
245 G A -1.9422
246 E A -2.1152
247 D A 0.0000
248 L A 0.0000
249 I A -0.1098
250 I A 0.0000
251 K A -1.9439
252 G A -0.7533
253 I A -0.6418
254 S A 0.0000
255 V A 0.0000
256 H A -0.6872
257 I A 0.0000
258 S A -0.7078
259 N A -1.3131
260 A A 0.0000
261 E A -2.9569
262 P A -2.9492
263 K A -3.1862
264 H A -2.6901
265 N A -3.1700
266 S A -2.8551
267 N A -3.2932
268 R A -3.3553
269 Q A -2.6682

 

Laboratory of Theory of Biopolymers 2015