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) | 0.540705 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 (00:00:52) [INFO] Main: Simulation completed successfully. (00:00:53) |
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 | 0.2254 | |
121 | I | A | 1.0988 | |
122 | D | A | -0.9461 | |
123 | V | A | -0.1338 | |
124 | K | A | -0.9538 | |
125 | Y | A | 0.1212 | |
126 | I | A | 1.2347 | |
127 | G | A | 0.4911 | |
128 | V | A | 1.2384 | |
129 | K | A | -0.7071 | |
130 | S | A | 0.0823 | |
131 | A | A | 0.5504 | |
132 | Y | A | 1.8168 | |
133 | V | A | 1.6882 | |
134 | S | A | 0.3791 | |
135 | Y | A | 0.2285 | |
136 | D | A | -1.0950 | |
137 | V | A | -0.4308 | |
138 | Q | A | -1.9681 | |
139 | K | A | -2.7210 | |
140 | R | A | -2.2768 | |
141 | T | A | -0.1769 | |
142 | I | A | 2.2571 | |
143 | Y | A | 2.7510 | |
144 | L | A | 2.5417 | |
145 | N | A | 0.4528 | |
146 | I | A | 1.6779 | |
147 | T | A | 0.2452 | |
148 | N | A | -0.2653 | |
149 | T | A | -0.1393 | |
150 | L | A | 0.5905 | |
151 | N | A | -0.2441 | |
152 | I | A | 0.8310 | |
153 | T | A | -0.5528 | |
154 | N | A | -1.9505 | |
155 | N | A | -2.0627 | |
156 | N | A | -1.2304 | |
157 | Y | A | 1.1210 | |
158 | Y | A | 2.0330 | |
159 | S | A | 1.3085 | |
160 | V | A | 1.2083 | |
161 | E | A | -1.0343 | |
162 | V | A | 0.1487 | |
163 | E | A | -1.6184 | |
164 | N | A | -1.2067 | |
165 | I | A | -0.1377 | |
166 | T | A | 0.0161 | |
167 | A | A | 0.0544 | |
168 | Q | A | 0.1049 | |
169 | V | A | 1.3529 | |
170 | Q | A | 0.7616 | |
171 | F | A | 1.2259 | |
172 | S | A | -0.1963 | |
173 | K | A | -0.9658 | |
174 | T | A | 0.3782 | |
175 | V | A | 2.1949 | |
176 | I | A | 2.1869 | |
177 | G | A | -0.1041 | |
178 | K | A | -1.8650 | |
179 | A | A | -1.0091 | |
180 | R | A | -1.6565 | |
181 | L | A | 0.1929 | |
182 | N | A | -1.1043 | |
183 | N | A | -0.6854 | |
184 | I | A | 1.6626 | |
185 | S | A | 1.7852 | mutated: TS185A |
186 | I | A | 3.6083 | |
187 | I | A | 3.0063 | |
188 | G | A | 1.9392 | |
189 | P | A | 1.0598 | |
190 | L | A | 1.0387 | |
191 | D | A | -0.6692 | |
192 | M | A | -0.0585 | |
193 | K | A | -1.6372 | |
194 | Q | A | -1.2707 | |
195 | I | A | 0.5788 | |
196 | D | A | -0.5697 | |
197 | Y | A | 1.1730 | |
198 | T | A | 0.8192 | |
199 | V | A | 1.9058 | |
200 | P | A | 0.8946 | |
201 | T | A | 1.6748 | |
202 | V | A | 2.8020 | |
203 | I | A | 2.6293 | |
204 | A | A | 0.3352 | |
205 | E | A | -1.3414 | |
206 | E | A | -1.9138 | |
207 | M | A | -0.0014 | |
208 | S | A | 0.0978 | |
209 | Y | A | 1.6102 | |
210 | M | A | 1.8462 | |
211 | Y | A | 1.6303 | |
212 | D | A | 0.1860 | |
213 | F | A | 1.7840 | |
214 | C | A | 1.0579 | |
215 | T | A | 1.3466 | |
216 | L | A | 2.5142 | |
217 | I | A | 3.0151 | |
218 | S | A | 2.0280 | |
219 | I | A | 1.8677 | |
220 | K | A | -0.3180 | |
221 | V | A | 0.7422 | |
222 | H | A | -0.2361 | |
223 | N | A | 0.0876 | |
224 | I | A | 2.0137 | |
225 | V | A | 2.9730 | |
226 | L | A | 3.2130 | |
227 | M | A | 2.4280 | |
228 | M | A | 0.6336 | |
229 | Q | A | 0.1494 | |
230 | V | A | 1.4862 | |
231 | T | A | 1.3828 | |
232 | V | A | 2.4395 | |
233 | T | A | 0.7206 | |
234 | T | A | 0.5230 | |
235 | T | A | 0.7408 | |
236 | Y | A | 1.5193 | |
237 | F | A | 1.8140 | |
238 | G | A | -0.1346 | |
239 | H | A | -1.4985 | |
240 | S | A | -1.5689 | |
241 | E | A | -2.2650 | |
242 | Q | A | -0.8286 | |
243 | I | A | 0.5966 | |
244 | S | A | -0.0690 | |
245 | Q | A | -1.7610 | |
246 | E | A | -2.6813 | |
247 | R | A | -2.5238 | |
248 | Y | A | -0.5882 | |
249 | Q | A | -0.6851 | |
250 | Y | A | 0.8975 | |
251 | V | A | 0.6908 | |
252 | D | A | -1.1293 | |
253 | C | A | 0.0345 | |
254 | G | A | -0.2405 |