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) | 0.508925 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 (00:00:21) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:40) [INFO] Main: Simulation completed successfully. (00:00:41) |
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 | 0.6159 | |
121 | I | A | 1.6194 | |
122 | D | A | -0.3129 | |
123 | V | A | 0.8881 | |
124 | K | A | -0.3327 | |
125 | Y | A | 0.6300 | |
126 | I | A | 1.1829 | |
127 | G | A | 0.6226 | |
128 | V | A | 1.1644 | |
129 | K | A | -0.6365 | |
130 | S | A | -0.0935 | |
131 | A | A | 0.5454 | |
132 | Y | A | 1.6719 | |
133 | V | A | 1.7594 | |
134 | S | A | 0.5671 | |
135 | Y | A | 0.6796 | |
136 | D | A | -0.8247 | |
137 | V | A | -0.1841 | |
138 | Q | A | -1.9647 | |
139 | K | A | -2.6877 | |
140 | R | A | -2.2151 | |
141 | T | A | -0.0114 | |
142 | I | A | 2.2917 | |
143 | Y | A | 2.8822 | |
144 | L | A | 2.5020 | |
145 | N | A | 0.4933 | |
146 | I | A | 1.0827 | |
147 | T | A | -0.1665 | |
148 | N | A | -0.6747 | |
149 | T | A | -0.3403 | |
150 | L | A | 0.6992 | |
151 | N | A | -0.2969 | |
152 | I | A | 0.2941 | |
153 | T | A | -0.7800 | |
154 | N | A | -2.0744 | |
155 | N | A | -2.1152 | |
156 | N | A | -1.2295 | |
157 | Y | A | 1.1293 | |
158 | Y | A | 1.9566 | |
159 | S | A | 1.3841 | |
160 | V | A | 1.3690 | |
161 | E | A | -1.0705 | |
162 | V | A | 0.0688 | |
163 | E | A | -1.6793 | |
164 | N | A | -1.4405 | |
165 | I | A | -0.2707 | |
166 | T | A | -0.2665 | |
167 | A | A | 0.0341 | |
168 | Q | A | -0.0882 | |
169 | V | A | 1.3063 | |
170 | Q | A | 0.7020 | |
171 | F | A | 1.2779 | |
172 | S | A | -0.3876 | |
173 | K | A | -0.9583 | |
174 | T | A | 0.3712 | |
175 | V | A | 2.2102 | |
176 | I | A | 2.2165 | |
177 | G | A | -0.1066 | |
178 | K | A | -1.7318 | |
179 | A | A | -1.1089 | |
180 | R | A | -1.6194 | |
181 | L | A | 0.1863 | |
182 | N | A | -0.9563 | |
183 | N | A | -0.4532 | |
184 | I | A | 1.6678 | |
185 | S | A | 1.7146 | mutated: TS185A |
186 | I | A | 3.3994 | |
187 | I | A | 2.9661 | |
188 | G | A | 1.8415 | |
189 | P | A | 1.0546 | |
190 | L | A | 1.0081 | |
191 | D | A | -0.6712 | |
192 | M | A | -0.1322 | |
193 | K | A | -1.7018 | |
194 | Q | A | -1.3396 | |
195 | I | A | 0.3764 | |
196 | D | A | -0.7625 | |
197 | Y | A | 1.0575 | |
198 | T | A | 0.8575 | |
199 | V | A | 2.1126 | |
200 | P | A | 0.9585 | |
201 | T | A | 1.7220 | |
202 | V | A | 2.8202 | |
203 | I | A | 2.4679 | |
204 | A | A | 0.1378 | |
205 | E | A | -1.6855 | |
206 | E | A | -2.0866 | |
207 | M | A | -0.1345 | |
208 | S | A | 0.1534 | |
209 | Y | A | 1.5789 | |
210 | M | A | 1.8025 | |
211 | Y | A | 1.8754 | |
212 | D | A | 0.5407 | |
213 | F | A | 1.8408 | |
214 | C | A | 1.5311 | |
215 | T | A | 1.6385 | |
216 | L | A | 2.6857 | |
217 | I | A | 3.0715 | |
218 | S | A | 1.8802 | |
219 | I | A | 1.4040 | |
220 | K | A | -0.5094 | |
221 | V | A | 0.5625 | |
222 | H | A | -0.2794 | |
223 | N | A | -0.0247 | |
224 | I | A | 1.5474 | |
225 | V | A | 2.7420 | |
226 | L | A | 2.9598 | |
227 | M | A | 2.3139 | |
228 | M | A | 0.9571 | |
229 | Q | A | 0.3558 | |
230 | V | A | 1.2875 | |
231 | T | A | 1.0798 | |
232 | V | A | 2.2282 | |
233 | T | A | 0.9250 | |
234 | T | A | 0.6977 | |
235 | T | A | 0.8197 | |
236 | Y | A | 1.3808 | |
237 | F | A | 1.8521 | |
238 | G | A | -0.1659 | |
239 | H | A | -1.4827 | |
240 | S | A | -1.6188 | |
241 | E | A | -2.2189 | |
242 | Q | A | -0.9312 | |
243 | I | A | 0.7972 | |
244 | S | A | 0.3161 | |
245 | Q | A | -1.2337 | |
246 | E | A | -1.6549 | |
247 | R | A | -1.9966 | |
248 | Y | A | -0.2376 | |
249 | Q | A | -0.4586 | |
250 | Y | A | 0.8702 | |
251 | V | A | 1.1298 | |
252 | D | A | -0.9943 | |
253 | C | A | 0.2656 | |
254 | G | A | -0.1831 |