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) | 0.192236 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 (00:00:20) [INFO] FoldX: Starting FoldX energy minimalization (00:00:22) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:41) [INFO] Main: Simulation completed successfully. (00:00:42) |
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 | 0.4410 | |
121 | I | A | 1.4397 | |
122 | D | A | -0.5506 | |
123 | V | A | 0.9211 | |
124 | K | A | -0.2649 | |
125 | Y | A | 1.1031 | |
126 | I | A | 1.8209 | |
127 | G | A | 0.6861 | |
128 | V | A | 1.2729 | |
129 | K | A | -0.8625 | |
130 | S | A | 0.0151 | |
131 | A | A | 0.5647 | |
132 | Y | A | 1.6766 | |
133 | V | A | 1.7723 | |
134 | S | A | 0.6464 | |
135 | Y | A | 0.8094 | |
136 | D | A | -0.7315 | |
137 | V | A | 0.4020 | |
138 | Q | A | -1.8381 | |
139 | K | A | -2.6219 | |
140 | R | A | -2.3456 | |
141 | T | A | 0.1000 | |
142 | I | A | 2.4441 | |
143 | Y | A | 3.4343 | |
144 | L | A | 2.7043 | |
145 | N | A | 0.8671 | |
146 | I | A | 1.7350 | |
147 | T | A | 0.2152 | |
148 | N | A | -0.3324 | |
149 | T | A | -0.0261 | |
150 | L | A | 0.8255 | |
151 | N | A | -0.2168 | |
152 | I | A | 0.4402 | |
153 | T | A | -0.8954 | |
154 | N | A | -1.9406 | |
155 | N | A | -2.0969 | |
156 | N | A | -1.2575 | |
157 | Y | A | 1.0306 | |
158 | Y | A | 1.9341 | |
159 | S | A | 1.2826 | |
160 | V | A | 1.5386 | |
161 | E | A | -0.9690 | |
162 | V | A | 0.2417 | |
163 | E | A | -1.5616 | |
164 | N | A | -1.2156 | |
165 | I | A | 0.2523 | |
166 | T | A | 0.1926 | |
167 | A | A | 0.1532 | |
168 | Q | A | 0.1596 | |
169 | V | A | 1.3288 | |
170 | Q | A | 0.7413 | |
171 | F | A | 1.2179 | |
172 | S | A | -0.1986 | |
173 | K | A | -0.9862 | |
174 | T | A | 0.3880 | |
175 | V | A | 2.2233 | |
176 | I | A | 2.1098 | |
177 | G | A | -0.1402 | |
178 | K | A | -1.7343 | |
179 | A | A | -1.1619 | |
180 | R | A | -1.7583 | |
181 | L | A | -0.0275 | |
182 | N | A | -1.0830 | |
183 | N | A | -0.8025 | |
184 | I | A | 1.8919 | |
185 | S | A | 1.8477 | mutated: TS185A |
186 | I | A | 3.5070 | |
187 | I | A | 3.1836 | |
188 | G | A | 1.7865 | |
189 | P | A | 1.3902 | |
190 | L | A | 1.2394 | |
191 | D | A | -0.7118 | |
192 | M | A | -0.0949 | |
193 | K | A | -1.8040 | |
194 | Q | A | -1.2711 | |
195 | I | A | 0.5405 | |
196 | D | A | -0.5219 | |
197 | Y | A | 1.1509 | |
198 | T | A | 0.9949 | |
199 | V | A | 1.8698 | |
200 | P | A | 1.2400 | |
201 | T | A | 1.7295 | |
202 | V | A | 2.6704 | |
203 | I | A | 2.5493 | |
204 | A | A | 0.3526 | |
205 | E | A | -1.2082 | |
206 | E | A | -1.8646 | |
207 | M | A | -0.0115 | |
208 | S | A | 0.2460 | |
209 | Y | A | 1.5833 | |
210 | M | A | 1.8165 | |
211 | Y | A | 1.8236 | |
212 | D | A | 0.4252 | |
213 | F | A | 1.9512 | |
214 | C | A | 1.3382 | |
215 | T | A | 1.5751 | |
216 | L | A | 2.6673 | |
217 | I | A | 2.9771 | |
218 | S | A | 1.4994 | |
219 | I | A | 1.3121 | |
220 | K | A | -0.5208 | |
221 | V | A | 0.5520 | |
222 | H | A | -0.1521 | |
223 | N | A | 0.0903 | |
224 | I | A | 2.0964 | |
225 | V | A | 3.0912 | |
226 | L | A | 3.3972 | |
227 | M | A | 2.4646 | |
228 | M | A | 1.0565 | |
229 | Q | A | 0.5464 | |
230 | V | A | 1.9752 | |
231 | T | A | 1.3823 | |
232 | V | A | 2.3847 | |
233 | T | A | 0.9326 | |
234 | T | A | 0.8619 | |
235 | T | A | 0.9341 | |
236 | Y | A | 1.6377 | |
237 | F | A | 1.9617 | |
238 | G | A | -0.1323 | |
239 | H | A | -1.3733 | |
240 | S | A | -1.4598 | |
241 | E | A | -2.1988 | |
242 | Q | A | -0.7650 | |
243 | I | A | 1.0371 | |
244 | S | A | 0.1323 | |
245 | Q | A | -1.2899 | |
246 | E | A | -2.4384 | |
247 | R | A | -2.4141 | |
248 | Y | A | -0.5284 | |
249 | Q | A | -0.6830 | |
250 | Y | A | 1.1074 | |
251 | V | A | 0.7089 | |
252 | D | A | -1.0942 | |
253 | C | A | 0.2624 | |
254 | G | A | -0.4631 |