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) | 0.413428 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 (00:00:27) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:51) [INFO] Main: Simulation completed successfully. (00:00:52) |
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 | 0.5720 | |
121 | I | A | 1.7567 | |
122 | D | A | -0.4233 | |
123 | V | A | 0.8837 | |
124 | K | A | -0.5936 | |
125 | Y | A | 1.0208 | |
126 | I | A | 1.0145 | |
127 | G | A | 0.3680 | |
128 | V | A | 1.1126 | |
129 | K | A | -0.8094 | |
130 | S | A | -0.1545 | |
131 | A | A | 0.5013 | |
132 | Y | A | 1.5772 | |
133 | V | A | 1.5923 | |
134 | S | A | 0.4857 | |
135 | Y | A | 0.5954 | |
136 | D | A | -0.8978 | |
137 | V | A | -0.2779 | |
138 | Q | A | -2.1565 | |
139 | K | A | -2.7127 | |
140 | R | A | -2.2655 | |
141 | T | A | -0.0815 | |
142 | I | A | 2.2960 | |
143 | Y | A | 3.0146 | |
144 | L | A | 2.4839 | |
145 | N | A | 0.5805 | |
146 | I | A | 1.0494 | |
147 | T | A | -0.1822 | |
148 | N | A | -0.6112 | |
149 | T | A | -0.3624 | |
150 | L | A | 0.4839 | |
151 | N | A | -0.1900 | |
152 | I | A | 0.7432 | |
153 | T | A | -0.5165 | |
154 | N | A | -1.9045 | |
155 | N | A | -2.0487 | |
156 | N | A | -1.2288 | |
157 | Y | A | 1.1188 | |
158 | Y | A | 1.9054 | |
159 | S | A | 1.2727 | |
160 | V | A | 1.2386 | |
161 | E | A | -0.9139 | |
162 | V | A | 0.1523 | |
163 | E | A | -1.5881 | |
164 | N | A | -1.1091 | |
165 | I | A | 0.1720 | |
166 | T | A | -0.1197 | |
167 | A | A | 0.1317 | |
168 | Q | A | 0.1200 | |
169 | V | A | 1.1095 | |
170 | Q | A | 0.6850 | |
171 | F | A | 1.1892 | |
172 | S | A | -0.1992 | |
173 | K | A | -0.9717 | |
174 | T | A | 0.3681 | |
175 | V | A | 2.2089 | |
176 | I | A | 2.1985 | |
177 | G | A | -0.1062 | |
178 | K | A | -1.7039 | |
179 | A | A | -0.9815 | |
180 | R | A | -1.5673 | |
181 | L | A | 0.2360 | |
182 | N | A | -0.9537 | |
183 | N | A | -0.6447 | |
184 | I | A | 1.6629 | |
185 | S | A | 1.7409 | mutated: TS185A |
186 | I | A | 3.5532 | |
187 | I | A | 2.9881 | |
188 | G | A | 1.8320 | |
189 | P | A | 0.9988 | |
190 | L | A | 0.9916 | |
191 | D | A | -0.8396 | |
192 | M | A | -0.1302 | |
193 | K | A | -1.7265 | |
194 | Q | A | -1.5034 | |
195 | I | A | 0.3924 | |
196 | D | A | -0.5812 | |
197 | Y | A | 1.1834 | |
198 | T | A | 0.9524 | |
199 | V | A | 2.1454 | |
200 | P | A | 1.2708 | |
201 | T | A | 1.7941 | |
202 | V | A | 2.6503 | |
203 | I | A | 2.4222 | |
204 | A | A | 0.1710 | |
205 | E | A | -1.5163 | |
206 | E | A | -2.0792 | |
207 | M | A | -0.0827 | |
208 | S | A | 0.1397 | |
209 | Y | A | 1.5721 | |
210 | M | A | 1.8037 | |
211 | Y | A | 1.8623 | |
212 | D | A | 0.4504 | |
213 | F | A | 1.9199 | |
214 | C | A | 1.1417 | |
215 | T | A | 1.3552 | |
216 | L | A | 2.4900 | |
217 | I | A | 3.0206 | |
218 | S | A | 1.9884 | |
219 | I | A | 1.8329 | |
220 | K | A | -0.4672 | |
221 | V | A | 0.6796 | |
222 | H | A | -0.2710 | |
223 | N | A | -0.2967 | |
224 | I | A | 1.9062 | |
225 | V | A | 2.9453 | |
226 | L | A | 3.3558 | |
227 | M | A | 2.3938 | |
228 | M | A | 0.9229 | |
229 | Q | A | 0.5323 | |
230 | V | A | 1.4427 | |
231 | T | A | 1.1674 | |
232 | V | A | 2.3458 | |
233 | T | A | 0.8896 | |
234 | T | A | 0.8422 | |
235 | T | A | 0.8659 | |
236 | Y | A | 1.6936 | |
237 | F | A | 1.8324 | |
238 | G | A | -0.1325 | |
239 | H | A | -1.4199 | |
240 | S | A | -1.5639 | |
241 | E | A | -2.2939 | |
242 | Q | A | -0.8726 | |
243 | I | A | 0.7063 | |
244 | S | A | -0.2087 | |
245 | Q | A | -1.6037 | |
246 | E | A | -2.7124 | |
247 | R | A | -2.4104 | |
248 | Y | A | -0.4253 | |
249 | Q | A | -0.6817 | |
250 | Y | A | 0.8422 | |
251 | V | A | 0.5966 | |
252 | D | A | -1.2599 | |
253 | C | A | -0.1556 | |
254 | G | A | -0.6289 |