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) | -0.128582 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 (00:00:31) [INFO] FoldX: Starting FoldX energy minimalization (00:00:32) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:01:00) [INFO] Main: Simulation completed successfully. (00:01:01) |
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 | 0.9131 | |
121 | I | A | 1.6025 | |
122 | D | A | -0.4046 | |
123 | V | A | 0.9651 | |
124 | K | A | -0.2031 | |
125 | Y | A | 1.2200 | |
126 | I | A | 1.4852 | |
127 | G | A | 0.7327 | |
128 | V | A | 1.2198 | |
129 | K | A | -0.4828 | |
130 | S | A | 0.0035 | |
131 | A | A | 0.6252 | |
132 | Y | A | 1.6387 | |
133 | V | A | 1.9935 | |
134 | S | A | 0.9418 | |
135 | Y | A | 0.7874 | |
136 | D | A | -1.0067 | |
137 | V | A | -0.5228 | |
138 | Q | A | -2.1931 | |
139 | K | A | -2.9099 | |
140 | R | A | -2.1987 | |
141 | T | A | 0.1090 | |
142 | I | A | 2.3687 | |
143 | Y | A | 2.9942 | |
144 | L | A | 2.5580 | |
145 | N | A | 0.5051 | |
146 | I | A | 1.5995 | |
147 | T | A | 0.4815 | |
148 | N | A | -0.2062 | |
149 | T | A | 0.3181 | |
150 | L | A | 1.0742 | |
151 | N | A | -0.2591 | |
152 | I | A | 0.4029 | |
153 | T | A | -0.8070 | |
154 | N | A | -1.8235 | |
155 | N | A | -2.1026 | |
156 | N | A | -1.2735 | |
157 | Y | A | 1.0698 | |
158 | Y | A | 2.0962 | |
159 | S | A | 1.5636 | |
160 | V | A | 1.7898 | |
161 | E | A | -0.8220 | |
162 | V | A | 0.3935 | |
163 | E | A | -1.3596 | |
164 | N | A | -0.9564 | |
165 | I | A | 1.0590 | |
166 | T | A | 0.3175 | |
167 | A | A | 0.5083 | |
168 | Q | A | -0.4011 | |
169 | V | A | 0.9912 | |
170 | Q | A | -0.1236 | |
171 | F | A | 1.3613 | |
172 | S | A | 0.2421 | |
173 | K | A | -1.0051 | |
174 | T | A | 0.4748 | |
175 | V | A | 1.0875 | |
176 | I | A | 1.7700 | |
177 | G | A | -0.1567 | |
178 | K | A | -1.5874 | |
179 | A | A | -1.1158 | |
180 | R | A | -2.0954 | |
181 | L | A | -0.7491 | |
182 | N | A | -1.1778 | |
183 | N | A | -0.0883 | |
184 | I | A | 1.9664 | |
185 | S | A | 1.9047 | mutated: TS185A |
186 | I | A | 2.8090 | |
187 | I | A | 3.2768 | |
188 | G | A | 1.4067 | |
189 | P | A | 0.7726 | |
190 | L | A | 0.8146 | |
191 | D | A | -1.2023 | |
192 | M | A | -0.5348 | |
193 | K | A | -2.1261 | |
194 | Q | A | -1.5927 | |
195 | I | A | 0.2252 | |
196 | D | A | -0.9523 | |
197 | Y | A | 1.0365 | |
198 | T | A | 0.9723 | |
199 | V | A | 1.9915 | |
200 | P | A | 1.5006 | |
201 | T | A | 1.7744 | |
202 | V | A | 2.4329 | |
203 | I | A | 1.8290 | |
204 | A | A | 0.3545 | |
205 | E | A | -1.5670 | |
206 | E | A | -1.3749 | |
207 | M | A | 0.1334 | |
208 | S | A | 0.6957 | |
209 | Y | A | 1.9086 | |
210 | M | A | 1.8940 | |
211 | Y | A | 1.6486 | |
212 | D | A | 0.7068 | |
213 | F | A | 2.0287 | |
214 | C | A | 1.6490 | |
215 | T | A | 1.6779 | |
216 | L | A | 2.4388 | |
217 | I | A | 2.2479 | |
218 | S | A | 1.3511 | |
219 | I | A | 1.1839 | |
220 | K | A | -0.6185 | |
221 | V | A | 0.2890 | |
222 | H | A | -0.4077 | |
223 | N | A | -0.1971 | |
224 | I | A | 2.4388 | |
225 | V | A | 2.9433 | |
226 | L | A | 3.3073 | |
227 | M | A | 2.0165 | |
228 | M | A | 1.0128 | |
229 | Q | A | -0.6634 | |
230 | V | A | 0.6796 | |
231 | T | A | 0.8374 | |
232 | V | A | 1.9023 | |
233 | T | A | 1.0767 | |
234 | T | A | 0.6621 | |
235 | T | A | 1.5098 | |
236 | Y | A | 2.0144 | |
237 | F | A | 2.3077 | |
238 | G | A | -0.0077 | |
239 | H | A | -1.2217 | |
240 | S | A | -1.6401 | |
241 | E | A | -2.3812 | |
242 | Q | A | -1.1396 | |
243 | I | A | 0.6600 | |
244 | S | A | -0.4205 | |
245 | Q | A | -1.9583 | |
246 | E | A | -2.9912 | |
247 | R | A | -2.5334 | |
248 | Y | A | -0.2382 | |
249 | Q | A | -0.3761 | |
250 | Y | A | 1.1269 | |
251 | V | A | 1.2129 | |
252 | D | A | -0.6944 | |
253 | C | A | 0.3550 | |
254 | G | A | -0.4473 |