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) | 0.351537 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 (00:00:19) [INFO] FoldX: Starting FoldX energy minimalization (00:00:20) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:38) [INFO] Main: Simulation completed successfully. (00:00:39) |
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 | 0.7129 | |
121 | I | A | 1.6203 | |
122 | D | A | -0.4390 | |
123 | V | A | 1.0780 | |
124 | K | A | -0.3842 | |
125 | Y | A | 1.0203 | |
126 | I | A | 1.1694 | |
127 | G | A | 0.3492 | |
128 | V | A | 1.0873 | |
129 | K | A | -1.0079 | |
130 | S | A | -0.1117 | |
131 | A | A | 0.4177 | |
132 | Y | A | 1.7606 | |
133 | V | A | 1.9434 | |
134 | S | A | 0.7700 | |
135 | Y | A | 0.9331 | |
136 | D | A | -0.6621 | |
137 | V | A | 0.3826 | |
138 | Q | A | -1.8454 | |
139 | K | A | -2.6304 | |
140 | R | A | -2.2135 | |
141 | T | A | 0.0863 | |
142 | I | A | 2.4013 | |
143 | Y | A | 3.1340 | |
144 | L | A | 2.6502 | |
145 | N | A | 0.8526 | |
146 | I | A | 1.7369 | |
147 | T | A | 0.3242 | |
148 | N | A | -0.0691 | |
149 | T | A | 0.0468 | |
150 | L | A | 0.8022 | |
151 | N | A | -0.1070 | |
152 | I | A | 0.5441 | |
153 | T | A | -0.8379 | |
154 | N | A | -1.8050 | |
155 | N | A | -2.0948 | |
156 | N | A | -1.2766 | |
157 | Y | A | 1.0136 | |
158 | Y | A | 1.9097 | |
159 | S | A | 1.3298 | |
160 | V | A | 1.3453 | |
161 | E | A | -1.0025 | |
162 | V | A | 0.1785 | |
163 | E | A | -1.5001 | |
164 | N | A | -1.2085 | |
165 | I | A | 0.4145 | |
166 | T | A | 0.0209 | |
167 | A | A | 0.1420 | |
168 | Q | A | 0.1652 | |
169 | V | A | 1.3790 | |
170 | Q | A | 0.8219 | |
171 | F | A | 1.2620 | |
172 | S | A | -0.1787 | |
173 | K | A | -0.7442 | |
174 | T | A | 0.3930 | |
175 | V | A | 2.1946 | |
176 | I | A | 1.9169 | |
177 | G | A | -0.1726 | |
178 | K | A | -1.7837 | |
179 | A | A | -1.0044 | |
180 | R | A | -1.6684 | |
181 | L | A | -0.2017 | |
182 | N | A | -1.1198 | |
183 | N | A | -0.6485 | |
184 | I | A | 1.8853 | |
185 | S | A | 1.8323 | mutated: TS185A |
186 | I | A | 3.5102 | |
187 | I | A | 3.2584 | |
188 | G | A | 1.7711 | |
189 | P | A | 1.4178 | |
190 | L | A | 1.3438 | |
191 | D | A | 0.0308 | |
192 | M | A | 0.0559 | |
193 | K | A | -1.6871 | |
194 | Q | A | -1.4391 | |
195 | I | A | -0.0086 | |
196 | D | A | -0.8025 | |
197 | Y | A | 1.0756 | |
198 | T | A | 1.0029 | |
199 | V | A | 2.3543 | |
200 | P | A | 1.3409 | |
201 | T | A | 1.7802 | |
202 | V | A | 2.8509 | |
203 | I | A | 2.4239 | |
204 | A | A | 0.1313 | |
205 | E | A | -1.6116 | |
206 | E | A | -2.0721 | |
207 | M | A | -0.1104 | |
208 | S | A | 0.0799 | |
209 | Y | A | 1.6726 | |
210 | M | A | 1.5560 | |
211 | Y | A | 1.6882 | |
212 | D | A | 0.2365 | |
213 | F | A | 1.7508 | |
214 | C | A | 1.1042 | |
215 | T | A | 1.4826 | |
216 | L | A | 2.4232 | |
217 | I | A | 3.1266 | |
218 | S | A | 1.9705 | |
219 | I | A | 2.1791 | |
220 | K | A | -0.0428 | |
221 | V | A | 0.7656 | |
222 | H | A | -0.2185 | |
223 | N | A | -0.1195 | |
224 | I | A | 1.6142 | |
225 | V | A | 2.7345 | |
226 | L | A | 2.8225 | |
227 | M | A | 2.3044 | |
228 | M | A | 0.7874 | |
229 | Q | A | 0.3232 | |
230 | V | A | 1.5402 | |
231 | T | A | 1.1514 | |
232 | V | A | 2.2756 | |
233 | T | A | 0.7576 | |
234 | T | A | 0.4815 | |
235 | T | A | 0.6610 | |
236 | Y | A | 1.3293 | |
237 | F | A | 1.8452 | |
238 | G | A | 0.1927 | |
239 | H | A | -1.4209 | |
240 | S | A | -1.6313 | |
241 | E | A | -2.2186 | |
242 | Q | A | -0.7989 | |
243 | I | A | 0.8340 | |
244 | S | A | -0.0081 | |
245 | Q | A | -1.3328 | |
246 | E | A | -2.2729 | |
247 | R | A | -2.2103 | |
248 | Y | A | -0.3528 | |
249 | Q | A | -0.6057 | |
250 | Y | A | 0.9698 | |
251 | V | A | 0.7986 | |
252 | D | A | -1.1021 | |
253 | C | A | 0.1168 | |
254 | G | A | -0.5249 |