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) | 0.358895 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 (00:00:28) [INFO] Analysis: Starting Aggrescan3D on folded.pdb (00:00:56) [INFO] Main: Simulation completed successfully. (00:00:57) |
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 | 0.5081 | |
121 | I | A | 1.6448 | |
122 | D | A | -0.4216 | |
123 | V | A | 0.9400 | |
124 | K | A | -0.3654 | |
125 | Y | A | 1.1139 | |
126 | I | A | 1.1335 | |
127 | G | A | 0.5412 | |
128 | V | A | 1.1943 | |
129 | K | A | -0.6371 | |
130 | S | A | -0.1442 | |
131 | A | A | 0.2502 | |
132 | Y | A | 1.3656 | |
133 | V | A | 1.4806 | |
134 | S | A | 0.4083 | |
135 | Y | A | 0.5926 | |
136 | D | A | -0.8782 | |
137 | V | A | -0.3064 | |
138 | Q | A | -2.1328 | |
139 | K | A | -2.6790 | |
140 | R | A | -2.2111 | |
141 | T | A | -0.0257 | |
142 | I | A | 2.2543 | |
143 | Y | A | 2.9613 | |
144 | L | A | 2.4638 | |
145 | N | A | 0.4328 | |
146 | I | A | 0.9558 | |
147 | T | A | -0.2284 | |
148 | N | A | -0.7812 | |
149 | T | A | -0.4045 | |
150 | L | A | 0.3171 | |
151 | N | A | -0.3336 | |
152 | I | A | 0.4925 | |
153 | T | A | -0.6310 | |
154 | N | A | -2.0004 | |
155 | N | A | -2.1084 | |
156 | N | A | -1.2469 | |
157 | Y | A | 1.1878 | |
158 | Y | A | 2.0022 | |
159 | S | A | 1.3582 | |
160 | V | A | 1.6135 | |
161 | E | A | -0.9229 | |
162 | V | A | 0.2438 | |
163 | E | A | -1.5779 | |
164 | N | A | -1.3135 | |
165 | I | A | 0.1429 | |
166 | T | A | -0.0883 | |
167 | A | A | 0.2511 | |
168 | Q | A | 0.1471 | |
169 | V | A | 1.3067 | |
170 | Q | A | 0.7259 | |
171 | F | A | 1.1809 | |
172 | S | A | -0.3743 | |
173 | K | A | -0.9299 | |
174 | T | A | 0.5646 | |
175 | V | A | 2.2059 | |
176 | I | A | 2.1644 | |
177 | G | A | -0.1174 | |
178 | K | A | -1.8607 | |
179 | A | A | -1.0317 | |
180 | R | A | -1.7106 | |
181 | L | A | 0.0850 | |
182 | N | A | -1.1002 | |
183 | N | A | -0.7119 | |
184 | I | A | 1.6002 | |
185 | S | A | 1.7470 | mutated: TS185A |
186 | I | A | 3.5694 | |
187 | I | A | 2.9853 | |
188 | G | A | 1.8432 | |
189 | P | A | 0.9948 | |
190 | L | A | 0.9887 | |
191 | D | A | -0.6597 | |
192 | M | A | -0.1827 | |
193 | K | A | -1.7610 | |
194 | Q | A | -1.4124 | |
195 | I | A | 0.2569 | |
196 | D | A | -0.6456 | |
197 | Y | A | 1.3805 | |
198 | T | A | 0.9172 | |
199 | V | A | 2.0841 | |
200 | P | A | 1.3819 | |
201 | T | A | 1.6313 | |
202 | V | A | 2.8571 | |
203 | I | A | 2.4379 | |
204 | A | A | 0.1754 | |
205 | E | A | -1.7019 | |
206 | E | A | -2.0922 | |
207 | M | A | -0.0018 | |
208 | S | A | 0.3155 | |
209 | Y | A | 1.6275 | |
210 | M | A | 1.9207 | |
211 | Y | A | 1.8524 | |
212 | D | A | 0.4487 | |
213 | F | A | 1.9203 | |
214 | C | A | 1.3765 | |
215 | T | A | 1.4344 | |
216 | L | A | 2.5056 | |
217 | I | A | 2.7897 | |
218 | S | A | 1.8311 | |
219 | I | A | 1.8069 | |
220 | K | A | -0.4683 | |
221 | V | A | 0.7194 | |
222 | H | A | -0.1863 | |
223 | N | A | 0.0370 | |
224 | I | A | 2.0747 | |
225 | V | A | 3.0182 | |
226 | L | A | 2.9651 | |
227 | M | A | 2.5312 | |
228 | M | A | 1.2947 | |
229 | Q | A | 0.0694 | |
230 | V | A | 1.0742 | |
231 | T | A | 1.1742 | |
232 | V | A | 2.2461 | |
233 | T | A | 0.6422 | |
234 | T | A | 0.4567 | |
235 | T | A | 0.7445 | |
236 | Y | A | 1.3667 | |
237 | F | A | 1.4238 | |
238 | G | A | -0.4617 | |
239 | H | A | -1.6093 | |
240 | S | A | -1.8214 | |
241 | E | A | -2.3118 | |
242 | Q | A | -0.9738 | |
243 | I | A | 0.8270 | |
244 | S | A | -0.0989 | |
245 | Q | A | -1.6309 | |
246 | E | A | -2.5677 | |
247 | R | A | -2.4118 | |
248 | Y | A | -0.4252 | |
249 | Q | A | -0.5733 | |
250 | Y | A | 0.9946 | |
251 | V | A | 1.2010 | |
252 | D | A | -0.8752 | |
253 | C | A | 0.1706 | |
254 | G | A | -0.1710 |