Chain sequence(s) |
A: SIDVKYIGVKSAYVSYDVQKRTIYLNITNTLNITNNNYYSVEVENITAQVQFSKTVIGKARLNNITIIGPLDMKQIDYTVPTVIAEEMSYMYDFCTLISIKVHNIVLMMQVTVTTTYFGHSEQISQERYQYVDCG
input PDB |
Selected Chain(s) | A |
Distance of aggregation | 10 Å |
FoldX usage | Yes |
Dynamic mode | No |
Automated mutations | No |
Mutated residues | QK194A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.120266 kcal/mol |
Downloads | Download all the data |
Simulation log |
[INFO] Logger: Verbosity set to: 2 - [INFO] (00:00:00) [WARNING] runJob: Working directory already exists (possibly overwriting previous results -ow to prevent this behavior) (00:00:00) [INFO] runJob: Starting aggrescan3d job on: input.pdb with A chain(s) selected (00:00:00) [INFO] runJob: Creating pdb object from: input.pdb (00:00:00) [INFO] FoldX: Starting FoldX energy minimalization (00:00:00) [INFO] FoldX: Building mutant model (00:00:26) [INFO] FoldX: Starting FoldX energy minimalization (00:00:34) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:56) [INFO] Main: Simulation completed successfully. (00:00:57) |
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 | |
120 | S | A | 0.4400 | |
121 | I | A | 1.4927 | |
122 | D | A | -0.4932 | |
123 | V | A | 0.9584 | |
124 | K | A | -0.5011 | |
125 | Y | A | 0.9323 | |
126 | I | A | 0.7560 | |
127 | G | A | 0.3351 | |
128 | V | A | 0.9972 | |
129 | K | A | -0.8794 | |
130 | S | A | -0.1913 | |
131 | A | A | 0.3672 | |
132 | Y | A | 1.5996 | |
133 | V | A | 1.5444 | |
134 | S | A | 0.4679 | |
135 | Y | A | 0.5864 | |
136 | D | A | -0.9381 | |
137 | V | A | -0.4536 | |
138 | Q | A | -2.2299 | |
139 | K | A | -2.7931 | |
140 | R | A | -2.2771 | |
141 | T | A | -0.0173 | |
142 | I | A | 2.3098 | |
143 | Y | A | 3.0473 | |
144 | L | A | 2.6429 | |
145 | N | A | 0.8341 | |
146 | I | A | 1.5064 | |
147 | T | A | 0.0333 | |
148 | N | A | -0.5727 | |
149 | T | A | -0.5850 | |
150 | L | A | 0.1695 | |
151 | N | A | -0.5034 | |
152 | I | A | 0.2153 | |
153 | T | A | -0.7411 | |
154 | N | A | -2.0340 | |
155 | N | A | -2.0814 | |
156 | N | A | -1.2340 | |
157 | Y | A | 1.1542 | |
158 | Y | A | 1.9879 | |
159 | S | A | 1.4490 | |
160 | V | A | 1.6033 | |
161 | E | A | -0.7226 | |
162 | V | A | 0.1265 | |
163 | E | A | -1.4049 | |
164 | N | A | -0.7999 | |
165 | I | A | 0.6580 | |
166 | T | A | 0.3876 | |
167 | A | A | 0.3398 | |
168 | Q | A | 0.1081 | |
169 | V | A | 1.1070 | |
170 | Q | A | 0.7253 | |
171 | F | A | 1.2824 | |
172 | S | A | -0.3849 | |
173 | K | A | -0.9440 | |
174 | T | A | 0.3730 | |
175 | V | A | 2.0229 | |
176 | I | A | 2.0062 | |
177 | G | A | -0.1056 | |
178 | K | A | -1.4772 | |
179 | A | A | -0.9862 | |
180 | R | A | -1.5768 | |
181 | L | A | 0.0061 | |
182 | N | A | -0.9294 | |
183 | N | A | -0.4086 | |
184 | I | A | 1.7485 | |
185 | T | A | 1.8944 | |
186 | I | A | 3.5429 | |
187 | I | A | 3.0472 | |
188 | G | A | 1.9821 | |
189 | P | A | 1.0741 | |
190 | L | A | 1.0576 | |
191 | D | A | -0.6538 | |
192 | M | A | -0.2702 | |
193 | K | A | -1.9521 | |
194 | K | A | -1.7414 | mutated: QK194A |
195 | I | A | 0.3216 | |
196 | D | A | -0.7439 | |
197 | Y | A | 1.4268 | |
198 | T | A | 0.9037 | |
199 | V | A | 2.4571 | |
200 | P | A | 1.3734 | |
201 | T | A | 1.6153 | |
202 | V | A | 2.8532 | |
203 | I | A | 2.4478 | |
204 | A | A | 0.1349 | |
205 | E | A | -1.7341 | |
206 | E | A | -2.1172 | |
207 | M | A | -0.0084 | |
208 | S | A | 0.3553 | |
209 | Y | A | 1.6342 | |
210 | M | A | 1.9280 | |
211 | Y | A | 1.8403 | |
212 | D | A | 0.4078 | |
213 | F | A | 1.8440 | |
214 | C | A | 1.0648 | |
215 | T | A | 1.2933 | |
216 | L | A | 2.2460 | |
217 | I | A | 2.8071 | |
218 | S | A | 1.7503 | |
219 | I | A | 1.6784 | |
220 | K | A | -0.4200 | |
221 | V | A | 0.6254 | |
222 | H | A | -0.4136 | |
223 | N | A | -0.3857 | |
224 | I | A | 1.4578 | |
225 | V | A | 2.6596 | |
226 | L | A | 2.7716 | |
227 | M | A | 2.5819 | |
228 | M | A | 1.2906 | |
229 | Q | A | 0.3423 | |
230 | V | A | 1.5187 | |
231 | T | A | 1.4263 | |
232 | V | A | 2.3810 | |
233 | T | A | 0.7326 | |
234 | T | A | 0.5427 | |
235 | T | A | 0.9253 | |
236 | Y | A | 1.6791 | |
237 | F | A | 1.8050 | |
238 | G | A | 0.0447 | |
239 | H | A | -1.4318 | |
240 | S | A | -1.7229 | |
241 | E | A | -2.2042 | |
242 | Q | A | -0.9226 | |
243 | I | A | 0.9674 | |
244 | S | A | 0.0140 | |
245 | Q | A | -1.2192 | |
246 | E | A | -1.7915 | |
247 | R | A | -1.9579 | |
248 | Y | A | -0.2456 | |
249 | Q | A | -0.5738 | |
250 | Y | A | 0.8374 | |
251 | V | A | 0.6096 | |
252 | D | A | -1.2032 | |
253 | C | A | -0.0471 | |
254 | G | A | -0.3529 |