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) | 0.59462 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 (00:00:24) [INFO] FoldX: Starting FoldX energy minimalization (00:00:25) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:47) [INFO] Main: Simulation completed successfully. (00:00:48) |
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 | 0.5470 | |
121 | I | A | 1.3543 | |
122 | D | A | -0.5538 | |
123 | V | A | 0.8262 | |
124 | K | A | -0.4094 | |
125 | Y | A | 1.2476 | |
126 | I | A | 1.6063 | |
127 | G | A | 0.5678 | |
128 | V | A | 1.2336 | |
129 | K | A | -0.7030 | |
130 | S | A | 0.0378 | |
131 | A | A | 0.7660 | |
132 | Y | A | 1.7486 | |
133 | V | A | 1.8953 | |
134 | S | A | 0.6556 | |
135 | Y | A | 0.7390 | |
136 | D | A | -0.7684 | |
137 | V | A | -0.1497 | |
138 | Q | A | -2.2797 | |
139 | K | A | -2.6843 | |
140 | R | A | -2.2247 | |
141 | T | A | 0.0497 | |
142 | I | A | 2.4804 | |
143 | Y | A | 2.9770 | |
144 | L | A | 2.4690 | |
145 | N | A | 0.5254 | |
146 | I | A | 0.8690 | |
147 | T | A | -0.2783 | |
148 | N | A | -0.6648 | |
149 | T | A | -0.4653 | |
150 | L | A | 0.4516 | |
151 | N | A | -0.3911 | |
152 | I | A | 0.2905 | |
153 | T | A | -0.7536 | |
154 | N | A | -2.0460 | |
155 | N | A | -2.1054 | |
156 | N | A | -1.2359 | |
157 | Y | A | 1.1205 | |
158 | Y | A | 1.6752 | |
159 | S | A | 1.2297 | |
160 | V | A | 1.1693 | |
161 | E | A | -0.9310 | |
162 | V | A | 0.1178 | |
163 | E | A | -1.6090 | |
164 | N | A | -1.1445 | |
165 | I | A | 0.1034 | |
166 | T | A | -0.1332 | |
167 | A | A | 0.2106 | |
168 | Q | A | 0.1484 | |
169 | V | A | 1.3927 | |
170 | Q | A | 0.7650 | |
171 | F | A | 1.3032 | |
172 | S | A | -0.3846 | |
173 | K | A | -0.9583 | |
174 | T | A | 0.3745 | |
175 | V | A | 2.1927 | |
176 | I | A | 2.1858 | |
177 | G | A | -0.1191 | |
178 | K | A | -1.7095 | |
179 | A | A | -1.0840 | |
180 | R | A | -1.5859 | |
181 | L | A | 0.1939 | |
182 | N | A | -0.9857 | |
183 | N | A | -0.4348 | |
184 | I | A | 1.7034 | |
185 | S | A | 1.7755 | mutated: TS185A |
186 | I | A | 3.4386 | |
187 | I | A | 2.9386 | |
188 | G | A | 1.8069 | |
189 | P | A | 1.0834 | |
190 | L | A | 1.0318 | |
191 | D | A | -0.8192 | |
192 | M | A | -0.0818 | |
193 | K | A | -1.7012 | |
194 | Q | A | -1.4284 | |
195 | I | A | 0.5197 | |
196 | D | A | -0.7093 | |
197 | Y | A | 1.3073 | |
198 | T | A | 0.8630 | |
199 | V | A | 2.4728 | |
200 | P | A | 1.3733 | |
201 | T | A | 1.6135 | |
202 | V | A | 2.6688 | |
203 | I | A | 2.4017 | |
204 | A | A | 0.1916 | |
205 | E | A | -1.5487 | |
206 | E | A | -2.0977 | |
207 | M | A | 0.0432 | |
208 | S | A | 0.4262 | |
209 | Y | A | 1.6550 | |
210 | M | A | 1.9481 | |
211 | Y | A | 1.7953 | |
212 | D | A | 0.2609 | |
213 | F | A | 1.7926 | |
214 | C | A | 1.0513 | |
215 | T | A | 1.2394 | |
216 | L | A | 2.4959 | |
217 | I | A | 2.9671 | |
218 | S | A | 1.7793 | |
219 | I | A | 1.8505 | |
220 | K | A | -0.5756 | |
221 | V | A | 0.6495 | |
222 | H | A | -0.2792 | |
223 | N | A | -0.2119 | |
224 | I | A | 1.8107 | |
225 | V | A | 2.8112 | |
226 | L | A | 3.0816 | |
227 | M | A | 2.6569 | |
228 | M | A | 1.2742 | |
229 | Q | A | 0.1215 | |
230 | V | A | 1.1281 | |
231 | T | A | 1.1608 | |
232 | V | A | 2.1927 | |
233 | T | A | 0.6593 | |
234 | T | A | 0.4916 | |
235 | T | A | 0.9261 | |
236 | Y | A | 1.6625 | |
237 | F | A | 2.0057 | |
238 | G | A | -0.1232 | |
239 | H | A | -1.4445 | |
240 | S | A | -1.6314 | |
241 | E | A | -2.3346 | |
242 | Q | A | -0.9996 | |
243 | I | A | 0.8523 | |
244 | S | A | -0.0557 | |
245 | Q | A | -1.5487 | |
246 | E | A | -2.5376 | |
247 | R | A | -2.3130 | |
248 | Y | A | -0.3743 | |
249 | Q | A | -0.6712 | |
250 | Y | A | 0.7862 | |
251 | V | A | 0.5075 | |
252 | D | A | -1.2266 | |
253 | C | A | -0.0595 | |
254 | G | A | -0.2792 |