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 | QK194A |
Energy difference between WT (input) and mutated protein (by FoldX) | 0.254591 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 (00:00:25) [INFO] FoldX: Starting FoldX energy minimalization (00:00:30) [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 | 0.7925 | |
121 | I | A | 1.3817 | |
122 | D | A | -0.4576 | |
123 | V | A | 0.9593 | |
124 | K | A | -0.1043 | |
125 | Y | A | 1.5934 | |
126 | I | A | 1.8695 | |
127 | G | A | 0.9244 | |
128 | V | A | 1.2990 | |
129 | K | A | -0.6534 | |
130 | S | A | -0.1931 | |
131 | A | A | 0.5814 | |
132 | Y | A | 1.6811 | |
133 | V | A | 1.8764 | |
134 | S | A | 0.6834 | |
135 | Y | A | 0.6403 | |
136 | D | A | -1.0777 | |
137 | V | A | -0.4441 | |
138 | Q | A | -2.1973 | |
139 | K | A | -2.8199 | |
140 | R | A | -2.3359 | |
141 | T | A | -0.0897 | |
142 | I | A | 2.4046 | |
143 | Y | A | 3.0415 | |
144 | L | A | 2.5570 | |
145 | N | A | 0.4370 | |
146 | I | A | 1.4136 | |
147 | T | A | -0.0162 | |
148 | N | A | -0.7115 | |
149 | T | A | 0.0336 | |
150 | L | A | 0.9836 | |
151 | N | A | -0.1350 | |
152 | I | A | 0.4424 | |
153 | T | A | -0.5695 | |
154 | N | A | -2.0542 | |
155 | N | A | -1.9538 | |
156 | N | A | -1.2117 | |
157 | Y | A | 1.1478 | |
158 | Y | A | 1.7754 | |
159 | S | A | 1.3535 | |
160 | V | A | 1.4981 | |
161 | E | A | -0.9233 | |
162 | V | A | 0.3609 | |
163 | E | A | -1.4236 | |
164 | N | A | -1.0133 | |
165 | I | A | 1.1918 | |
166 | T | A | 0.1958 | |
167 | A | A | 0.3984 | |
168 | Q | A | -0.4425 | |
169 | V | A | 0.8163 | |
170 | Q | A | -0.2043 | |
171 | F | A | 1.3848 | |
172 | S | A | 0.4561 | |
173 | K | A | -0.8357 | |
174 | T | A | 0.2316 | |
175 | V | A | 1.2050 | |
176 | I | A | 1.5109 | |
177 | G | A | -0.2723 | |
178 | K | A | -1.6294 | |
179 | A | A | -0.9044 | |
180 | R | A | -1.7439 | |
181 | L | A | -0.5874 | |
182 | N | A | -1.3429 | |
183 | N | A | -0.4100 | |
184 | I | A | 1.3747 | |
185 | T | A | 1.7259 | |
186 | I | A | 2.6755 | |
187 | I | A | 3.0628 | |
188 | G | A | 1.4496 | |
189 | P | A | 0.6482 | |
190 | L | A | 1.0751 | |
191 | D | A | -1.1624 | |
192 | M | A | -0.6663 | |
193 | K | A | -2.6033 | |
194 | K | A | -2.1620 | mutated: QK194A |
195 | I | A | -0.4237 | |
196 | D | A | -1.5495 | |
197 | Y | A | 0.8163 | |
198 | T | A | 0.9777 | |
199 | V | A | 1.8926 | |
200 | P | A | 1.0796 | |
201 | T | A | 1.5380 | |
202 | V | A | 2.3919 | |
203 | I | A | 1.7822 | |
204 | A | A | 0.0834 | |
205 | E | A | -1.6942 | |
206 | E | A | -1.8098 | |
207 | M | A | -0.0436 | |
208 | S | A | 0.7976 | |
209 | Y | A | 2.0625 | |
210 | M | A | 1.9952 | |
211 | Y | A | 1.7170 | |
212 | D | A | 0.6941 | |
213 | F | A | 2.0406 | |
214 | C | A | 1.2957 | |
215 | T | A | 1.5054 | |
216 | L | A | 2.1078 | |
217 | I | A | 2.0092 | |
218 | S | A | 1.4250 | |
219 | I | A | 1.5299 | |
220 | K | A | -0.3816 | |
221 | V | A | 0.8676 | |
222 | H | A | -0.2369 | |
223 | N | A | -0.1182 | |
224 | I | A | 2.5506 | |
225 | V | A | 2.8531 | |
226 | L | A | 2.8423 | |
227 | M | A | 2.0198 | |
228 | M | A | 1.3431 | |
229 | Q | A | -0.3651 | |
230 | V | A | 0.8854 | |
231 | T | A | 1.1774 | |
232 | V | A | 1.8482 | |
233 | T | A | 1.1475 | |
234 | T | A | 0.8401 | |
235 | T | A | 1.2229 | |
236 | Y | A | 1.8935 | |
237 | F | A | 2.0040 | |
238 | G | A | 0.1183 | |
239 | H | A | -1.3593 | |
240 | S | A | -1.6235 | |
241 | E | A | -2.3614 | |
242 | Q | A | -1.1347 | |
243 | I | A | 0.7377 | |
244 | S | A | -0.2027 | |
245 | Q | A | -1.9452 | |
246 | E | A | -2.9636 | |
247 | R | A | -2.5226 | |
248 | Y | A | -0.5238 | |
249 | Q | A | -0.2621 | |
250 | Y | A | 1.1647 | |
251 | V | A | 1.1195 | |
252 | D | A | -0.5278 | |
253 | C | A | 0.1129 | |
254 | G | A | -0.4591 |