Project name: e32cefe81575fa2

Status: done

Started: 2026-06-01 14:35:23
Settings
Chain sequence(s) A: EVQLVESGGGLVQPGGSLKLSCAASGFTFNKYAMNWVRQAPGKGLEWVARIRSKYQNYATYYADSVKDRFTISRDDSKNTAYLQMNNLKTEDTAVYYCVRHGNFGNSYISYWAYWGQGTLVTV
input PDB
Selected Chain(s) A
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations No
Downloads Download all the data
Simulation log
[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:02:09)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:10)
Show buried residues

Minimal score value
-3.0258
Maximal score value
2.266
Average score
-0.4978
Total score value
-61.2308

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
mutation
175 E A -2.2043
176 V A -1.3498
177 Q A -1.3939
178 L A 0.0000
179 V A 0.9378
180 E A 0.0000
181 S A -0.2058
182 G A -0.7565
183 G A 0.1154
184 G A 0.7307
185 L A 1.5720
186 V A 0.1712
187 Q A -1.2525
188 P A -1.7179
189 G A -1.8557
190 G A -1.2306
191 S A -1.4240
192 L A -0.9798
193 K A -1.8123
194 L A 0.0000
195 S A -0.3205
196 C A 0.0000
197 A A -0.1674
198 A A 0.0000
199 S A -1.1056
200 G A -1.3245
201 F A -0.7566
202 T A -0.6338
203 F A 0.0000
204 N A -1.5601
205 K A -1.8654
206 Y A -0.9313
207 A A -0.7505
208 M A 0.0000
209 N A 0.0000
210 W A 0.0000
211 V A 0.0000
212 R A 0.0000
213 Q A -0.3471
214 A A -0.9690
215 P A -0.9585
216 G A -1.5684
217 K A -2.0769
218 G A -0.9390
219 L A 0.6317
220 E A -0.1756
221 W A 0.2432
222 V A 0.0000
223 A A 0.0000
224 R A -0.3304
225 I A 0.0000
226 R A -1.3638
227 S A 0.0000
228 K A -1.6376
229 Y A -0.4853
230 Q A -1.6891
231 N A -1.6930
232 Y A -0.8514
233 A A -0.6561
234 T A -0.1969
235 Y A 0.0449
236 Y A -0.7824
237 A A -1.3186
238 D A -2.4797
239 S A -1.8280
240 V A 0.0000
241 K A -2.8102
242 D A -3.0258
243 R A -2.3281
244 F A 0.0000
245 T A -0.9478
246 I A 0.0000
247 S A -0.3387
248 R A -0.9552
249 D A -1.3844
250 D A -1.8565
251 S A -1.5266
252 K A -2.3421
253 N A -1.7148
254 T A -0.9588
255 A A 0.0000
256 Y A -0.4146
257 L A 0.0000
258 Q A -1.0121
259 M A 0.0000
260 N A -2.0744
261 N A -2.5037
262 L A 0.0000
263 K A -2.3965
264 T A -1.6113
265 E A -2.1896
266 D A 0.0000
267 T A -0.2930
268 A A 0.0000
269 V A 0.8684
270 Y A 0.0000
271 Y A 0.5996
272 C A 0.0000
273 V A 0.0000
274 R A 0.0000
275 H A 0.6481
276 G A 0.0000
277 N A 0.3074
278 F A 1.5783
279 G A -0.1100
280 N A -0.7504
281 S A 0.7013
282 Y A 1.7871
283 I A 2.2660
284 S A 1.3366
285 Y A 1.4698
286 W A 1.0376
287 A A 0.6525
288 Y A 0.4931
289 W A 0.4679
290 G A -0.0455
291 Q A -0.6577
292 G A 0.0000
293 T A 0.5388
294 L A 1.3977
295 V A 0.0000
296 T A 0.5568
297 V A -0.1913
Download PDB file
View in 3Dmol
Play the video

Laboratory of Theory of Biopolymers 2018