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 | TS185A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.694649 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 (00:00:21) [INFO] FoldX: Starting FoldX energy minimalization (00:00:23) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:45) [INFO] Main: Simulation completed successfully. (00:00:46) |
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 | 0.0181 | |
121 | I | A | 0.9857 | |
122 | D | A | -0.7695 | |
123 | V | A | 0.4319 | |
124 | K | A | -0.6517 | |
125 | Y | A | 0.4460 | |
126 | I | A | 1.2732 | |
127 | G | A | 0.4832 | |
128 | V | A | 1.1765 | |
129 | K | A | -0.8213 | |
130 | S | A | 0.2234 | |
131 | A | A | 0.7800 | |
132 | Y | A | 1.8800 | |
133 | V | A | 2.4884 | |
134 | S | A | 0.8996 | |
135 | Y | A | 0.7887 | |
136 | D | A | -1.2389 | |
137 | V | A | -0.3103 | |
138 | Q | A | -2.0623 | |
139 | K | A | -2.8907 | |
140 | R | A | -2.2498 | |
141 | T | A | -0.1105 | |
142 | I | A | 2.2923 | |
143 | Y | A | 3.0850 | |
144 | L | A | 2.6360 | |
145 | N | A | 0.7901 | |
146 | I | A | 1.6497 | |
147 | T | A | 0.2716 | |
148 | N | A | -0.7150 | |
149 | T | A | -0.2846 | |
150 | L | A | 0.4623 | |
151 | N | A | -0.3011 | |
152 | I | A | 0.2096 | |
153 | T | A | -0.8998 | |
154 | N | A | -1.8015 | |
155 | N | A | -2.0986 | |
156 | N | A | -1.2462 | |
157 | Y | A | 1.0777 | |
158 | Y | A | 1.8880 | |
159 | S | A | 0.9295 | |
160 | V | A | 0.7771 | |
161 | E | A | -1.2245 | |
162 | V | A | 0.1867 | |
163 | E | A | -1.5906 | |
164 | N | A | -1.1011 | |
165 | I | A | 0.2598 | |
166 | T | A | 0.1121 | |
167 | A | A | 0.3709 | |
168 | Q | A | 0.2345 | |
169 | V | A | 1.4548 | |
170 | Q | A | 0.7768 | |
171 | F | A | 1.3280 | |
172 | S | A | -0.3644 | |
173 | K | A | -1.0068 | |
174 | T | A | 0.5672 | |
175 | V | A | 2.2253 | |
176 | I | A | 2.2864 | |
177 | G | A | -0.1228 | |
178 | K | A | -1.7030 | |
179 | A | A | -1.3431 | |
180 | R | A | -2.2737 | |
181 | L | A | -0.2996 | |
182 | N | A | -1.3668 | |
183 | N | A | -0.9561 | |
184 | I | A | 1.6037 | |
185 | S | A | 1.7338 | mutated: TS185A |
186 | I | A | 3.4105 | |
187 | I | A | 2.7945 | |
188 | G | A | 1.2585 | |
189 | P | A | 1.1951 | |
190 | L | A | 1.9207 | |
191 | D | A | 0.1654 | |
192 | M | A | 0.3060 | |
193 | K | A | -1.1860 | |
194 | Q | A | -0.9803 | |
195 | I | A | 0.5800 | |
196 | D | A | -0.5154 | |
197 | Y | A | 0.8965 | |
198 | T | A | 1.0363 | |
199 | V | A | 2.2973 | |
200 | P | A | 1.3605 | |
201 | T | A | 1.8975 | |
202 | V | A | 3.0936 | |
203 | I | A | 2.6365 | |
204 | A | A | 0.4086 | |
205 | E | A | -1.9829 | |
206 | E | A | -2.0974 | |
207 | M | A | 0.0597 | |
208 | S | A | 0.4781 | |
209 | Y | A | 1.6998 | |
210 | M | A | 2.0678 | |
211 | Y | A | 1.8952 | |
212 | D | A | 0.7985 | |
213 | F | A | 1.9789 | |
214 | C | A | 1.1606 | |
215 | T | A | 1.5605 | |
216 | L | A | 2.6434 | |
217 | I | A | 2.9322 | |
218 | S | A | 1.9328 | |
219 | I | A | 2.4509 | |
220 | K | A | 0.0552 | |
221 | V | A | 0.8227 | |
222 | H | A | -0.3484 | |
223 | N | A | 0.2285 | |
224 | I | A | 1.9252 | |
225 | V | A | 2.8463 | |
226 | L | A | 2.4212 | |
227 | M | A | 2.0808 | |
228 | M | A | 0.9361 | |
229 | Q | A | 0.5205 | |
230 | V | A | 1.8495 | |
231 | T | A | 1.1647 | |
232 | V | A | 1.7233 | |
233 | T | A | 0.7565 | |
234 | T | A | 0.7696 | |
235 | T | A | 0.8632 | |
236 | Y | A | 1.6038 | |
237 | F | A | 1.6964 | |
238 | G | A | -0.2219 | |
239 | H | A | -1.5498 | |
240 | S | A | -1.5856 | |
241 | E | A | -2.3431 | |
242 | Q | A | -1.1313 | |
243 | I | A | 0.2917 | |
244 | S | A | -0.0207 | |
245 | Q | A | -1.9032 | |
246 | E | A | -2.3197 | |
247 | R | A | -2.3588 | |
248 | Y | A | -0.2888 | |
249 | Q | A | -0.3905 | |
250 | Y | A | 1.1185 | |
251 | V | A | 0.7164 | |
252 | D | A | -1.2134 | |
253 | C | A | -0.1675 | |
254 | G | A | -0.6198 |