Project name: 661f4adfe21fee

Status: done

Started: 2025-02-07 04:18:49
Settings
Chain sequence(s) A: STEAVLGDALVDFSLKLYHAFSAMKKVETNMAFSPFSIASLLTQVLLGAGENTKTNLESILSYPKDFTCVHQALKGFTTKGVTSVSQIFHSPDLAIRDTFVNASRTLYSSSPRVLSNNSDANLELINTWVAKNTNNKISRLLDSLPSDTRLVLLNAIYLSAKWKTTFDPKKTRMEPFHFKNSVIKVPMMNSKKYPVAHFIDQTLKAKVGQLQLSHNLSLVILVPQNLKHRLEDMEQALSPSVFKAIMEKLEMSKFQPTLLTLPRIKVTTSQDMLSIMEKLEFFDFSYDLNLCGLTEDPDLQVSAMQHQTVLELTETGVEAAAASAISVARTLLVFEVQQPFLFMLWDQQHKFPVFMGRVYDP
B: ESHSTEAVLGDALVDFSLKLYHAFSAMKKVETNMAFSPFSIASLLTQVLLGAGENTKTNLESILSYPKDFTCVHQALKGFTTKGVTSVSQIFHSPDLAIRDTFVNASRTLYSSSPRVLSNNSDANLELINTWVAKNTNNKISRLLDSLPSDTRLVLLNAIYLSAKWKTTFDPKKTRMEPFHFKNSVIKVPMMNSKKYPVAHFIDQTLKAKVGQLQLSHNLSLVILVPQNLKHRLEDMEQALSPSVFKAIMEKLEMSKFQPTLLTLPRIKVTTSQDMLSIMEKLEFFDFSYDLNLCGLTEDPDLQVSAMQHQTVLELTETGVEAAAASAISVARTLLVFEVQQPFLFMLWDQQHKFPVFMGRVYDP
input PDB
Selected Chain(s) A,B
Distance of aggregation 10 Å
FoldX usage Yes
Dynamic mode No
Automated mutations Yes
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 all 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]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:48)
[INFO]       Auto_mut: Residue number 446 from chain B and a score of 1.568 (leucine) selected for 
                       automated muatation                                                         (00:11:54)
[INFO]       Auto_mut: Residue number 447 from chain B and a score of 1.196 (leucine) selected for 
                       automated muatation                                                         (00:11:54)
[INFO]       Auto_mut: Residue number 297 from chain A and a score of 0.842 (valine) selected for  
                       automated muatation                                                         (00:11:54)
[INFO]       Auto_mut: Residue number 448 from chain B and a score of 0.841 (valine) selected for  
                       automated muatation                                                         (00:11:54)
[INFO]       Auto_mut: Residue number 297 from chain B and a score of 0.796 (valine) selected for  
                       automated muatation                                                         (00:11:54)
[INFO]       Auto_mut: Residue number 228 from chain A and a score of 0.690 (valine) selected for  
                       automated muatation                                                         (00:11:54)
[INFO]       Auto_mut: Mutating residue number 446 from chain B (leucine) into glutamic acid       (00:11:54)
[INFO]       Auto_mut: Mutating residue number 446 from chain B (leucine) into aspartic acid       (00:11:54)
[INFO]       Auto_mut: Mutating residue number 447 from chain B (leucine) into glutamic acid       (00:11:54)
[INFO]       Auto_mut: Mutating residue number 446 from chain B (leucine) into lysine              (00:16:42)
[INFO]       Auto_mut: Mutating residue number 446 from chain B (leucine) into arginine            (00:16:42)
[INFO]       Auto_mut: Mutating residue number 447 from chain B (leucine) into lysine              (00:16:48)
[INFO]       Auto_mut: Mutating residue number 447 from chain B (leucine) into aspartic acid       (00:21:44)
[INFO]       Auto_mut: Mutating residue number 297 from chain A (valine) into glutamic acid        (00:21:45)
[INFO]       Auto_mut: Mutating residue number 297 from chain A (valine) into aspartic acid        (00:21:53)
[INFO]       Auto_mut: Mutating residue number 297 from chain A (valine) into lysine               (00:26:31)
[INFO]       Auto_mut: Mutating residue number 297 from chain A (valine) into arginine             (00:26:34)
[INFO]       Auto_mut: Mutating residue number 447 from chain B (leucine) into arginine            (00:26:35)
[INFO]       Auto_mut: Mutating residue number 448 from chain B (valine) into glutamic acid        (00:31:16)
[INFO]       Auto_mut: Mutating residue number 448 from chain B (valine) into aspartic acid        (00:31:32)
[INFO]       Auto_mut: Mutating residue number 297 from chain B (valine) into glutamic acid        (00:31:32)
[INFO]       Auto_mut: Mutating residue number 448 from chain B (valine) into lysine               (00:36:20)
[INFO]       Auto_mut: Mutating residue number 297 from chain B (valine) into lysine               (00:36:28)
[INFO]       Auto_mut: Mutating residue number 448 from chain B (valine) into arginine             (00:36:38)
[INFO]       Auto_mut: Mutating residue number 297 from chain B (valine) into aspartic acid        (00:41:09)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into glutamic acid        (00:41:31)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into aspartic acid        (00:41:36)
[INFO]       Auto_mut: Mutating residue number 297 from chain B (valine) into arginine             (00:46:01)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into lysine               (00:46:17)
[INFO]       Auto_mut: Mutating residue number 228 from chain A (valine) into arginine             (00:46:22)
[INFO]       Auto_mut: Effect of mutation residue number 446 from chain B (leucine) into glutamic  
                       acid: Energy difference: 0.6009 kcal/mol, Difference in average score from  
                       the base case: -0.0084                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 446 from chain B (leucine) into lysine:   
                       Energy difference: 0.3315 kcal/mol, Difference in average score from the    
                       base case: -0.0082                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 446 from chain B (leucine) into aspartic  
                       acid: Energy difference: 0.9444 kcal/mol, Difference in average score from  
                       the base case: -0.0076                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 446 from chain B (leucine) into arginine: 
                       Energy difference: 0.3138 kcal/mol, Difference in average score from the    
                       base case: -0.0074                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 447 from chain B (leucine) into glutamic  
                       acid: Energy difference: 0.2824 kcal/mol, Difference in average score from  
                       the base case: -0.0037                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 447 from chain B (leucine) into lysine:   
                       Energy difference: -0.0018 kcal/mol, Difference in average score from the   
                       base case: -0.0010                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 447 from chain B (leucine) into aspartic  
                       acid: Energy difference: 0.8227 kcal/mol, Difference in average score from  
                       the base case: -0.0026                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 447 from chain B (leucine) into arginine: 
                       Energy difference: 0.1372 kcal/mol, Difference in average score from the    
                       base case: -0.0044                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.7120 kcal/mol, Difference in average score from  
                       the base case: -0.0123                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain A (valine) into lysine:    
                       Energy difference: 0.4411 kcal/mol, Difference in average score from the    
                       base case: -0.0107                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain A (valine) into aspartic   
                       acid: Energy difference: 0.9955 kcal/mol, Difference in average score from  
                       the base case: -0.0117                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain A (valine) into arginine:  
                       Energy difference: 0.3987 kcal/mol, Difference in average score from the    
                       base case: -0.0119                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain B (valine) into glutamic   
                       acid: Energy difference: 2.2734 kcal/mol, Difference in average score from  
                       the base case: 0.0015                                                       (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain B (valine) into lysine:    
                       Energy difference: 2.1362 kcal/mol, Difference in average score from the    
                       base case: 0.0015                                                           (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain B (valine) into aspartic   
                       acid: Energy difference: 3.1884 kcal/mol, Difference in average score from  
                       the base case: 0.0006                                                       (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 448 from chain B (valine) into arginine:  
                       Energy difference: 1.6973 kcal/mol, Difference in average score from the    
                       base case: 0.0044                                                           (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain B (valine) into glutamic   
                       acid: Energy difference: 1.2251 kcal/mol, Difference in average score from  
                       the base case: -0.0135                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain B (valine) into lysine:    
                       Energy difference: -0.0297 kcal/mol, Difference in average score from the   
                       base case: -0.0120                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain B (valine) into aspartic   
                       acid: Energy difference: 1.7165 kcal/mol, Difference in average score from  
                       the base case: -0.0131                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 297 from chain B (valine) into arginine:  
                       Energy difference: -0.3203 kcal/mol, Difference in average score from the   
                       base case: -0.0151                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into glutamic   
                       acid: Energy difference: 0.5464 kcal/mol, Difference in average score from  
                       the base case: -0.0107                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into lysine:    
                       Energy difference: -0.0305 kcal/mol, Difference in average score from the   
                       base case: -0.0110                                                          (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into aspartic   
                       acid: Energy difference: 1.2024 kcal/mol, Difference in average score from  
                       the base case: -0.0103                                                      (00:51:16)
[INFO]       Auto_mut: Effect of mutation residue number 228 from chain A (valine) into arginine:  
                       Energy difference: -0.3969 kcal/mol, Difference in average score from the   
                       base case: -0.0104                                                          (00:51:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:51:27)
Show buried residues
Minimal score value
-3.3343
Maximal score value
1.568
Average score
-0.7016
Total score value
-510.0778
Download the table (csv)

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
115 S A -0.4547
116 T A -0.7112
117 E A -1.9288
118 A A -0.9670
119 V A -0.0939
120 L A 0.0000
121 G A 0.0000
122 D A -1.9715
123 A A 0.0000
124 L A 0.0000
125 V A 0.0000
126 D A -1.1789
127 F A 0.0000
128 S A 0.0000
129 L A 0.0000
130 K A -0.8999
131 L A 0.0000
132 Y A 0.0000
133 H A -0.8675
134 A A 0.0000
135 F A 0.0000
136 S A -0.4699
137 A A -0.1723
138 M A -0.1586
139 K A -0.7373
140 K A -1.2549
141 V A 0.1157
142 E A -1.5450
143 T A -1.0110
144 N A -1.0782
145 M A 0.0000
146 A A 0.0000
147 F A 0.0000
148 S A 0.0000
149 P A 0.0000
150 F A 0.0000
151 S A 0.0000
152 I A 0.0000
153 A A 0.0000
154 S A -0.2260
155 L A 0.0000
156 L A 0.0000
157 T A 0.0000
158 Q A 0.0000
159 V A 0.0000
160 L A 0.0000
161 L A 0.2191
162 G A 0.0000
163 A A 0.0000
164 G A 0.0000
165 E A -2.2669
166 N A -1.9829
167 T A 0.0000
168 K A -1.8002
169 T A -1.8297
170 N A -1.3879
171 L A 0.0000
172 E A -1.3512
173 S A -0.9030
174 I A 0.0000
175 L A 0.0000
176 S A -0.7700
177 Y A 0.0000
178 P A -1.4052
179 K A -2.8224
180 D A -2.6609
181 F A 0.0000
182 T A -0.8906
183 C A -0.5184
184 V A 0.0000
185 H A -0.8044
186 Q A -1.7554
187 A A 0.0000
188 L A 0.0000
189 K A -1.8517
190 G A -1.6309
191 F A 0.0000
192 T A -1.0535
193 T A 0.0000
194 K A -2.0463
195 G A 0.0000
196 V A 0.0000
197 T A -0.7556
198 S A -0.3891
199 V A 0.0000
200 S A -0.1360
201 Q A 0.0000
202 I A 0.0000
203 F A 0.0000
204 H A 0.0000
205 S A -0.8917
206 P A -1.0866
207 D A -1.9335
208 L A 0.0000
209 A A -0.8648
210 I A -0.7777
211 R A -1.6886
212 D A -2.1755
213 T A -1.3512
214 F A 0.0000
215 V A -1.4102
216 N A -2.2549
217 A A -1.2421
218 S A 0.0000
219 R A -2.1730
220 T A -1.2802
221 L A -1.0231
222 Y A -0.9110
223 S A -1.1325
224 S A -0.9753
225 S A 0.0000
226 P A 0.0000
227 R A -0.3076
228 V A 0.6897
229 L A 0.0000
230 S A -0.9242
231 N A -2.1485
232 N A -2.2407
233 S A -2.2481
234 D A -2.5692
235 A A -1.7728
236 N A 0.0000
237 L A -1.7072
238 E A -2.2828
239 L A -0.5470
240 I A 0.0000
241 N A -1.8332
242 T A -1.4208
243 W A -1.0302
244 V A 0.0000
245 A A -2.4589
246 K A -2.7651
247 N A -1.9731
248 T A 0.0000
249 N A -2.8897
250 N A -3.1983
251 K A -2.5108
252 I A 0.0000
253 S A -2.3304
254 R A -2.8585
255 L A 0.0000
256 L A 0.0000
257 D A -2.4225
258 S A -1.2433
259 L A -0.8980
260 P A -0.9581
261 S A -1.5879
262 D A -1.9989
263 T A 0.0000
264 R A -1.3104
265 L A 0.0000
266 V A 0.0000
267 L A 0.0000
268 L A 0.0000
269 N A 0.0000
270 A A 0.0000
271 I A 0.0000
272 Y A -0.3500
273 L A 0.0000
274 S A -0.8923
275 A A 0.0000
276 K A -1.1627
277 W A 0.0000
278 K A -1.3176
279 T A -0.7982
280 T A -0.5412
281 F A 0.0000
282 D A -1.2450
283 P A -1.6391
284 K A -2.4457
285 K A -2.0848
286 T A -1.5338
287 R A -1.6670
288 M A -0.4082
289 E A -0.6476
290 P A -0.1705
291 F A 0.0000
292 H A -0.0893
293 F A -0.9536
294 K A -2.4169
295 N A -1.5758
296 S A -0.3289
297 V A 0.8416
298 I A 0.0935
299 K A -1.1054
300 V A 0.0000
301 P A -0.7120
302 M A 0.0000
303 M A 0.0000
304 N A -0.9425
305 S A 0.0000
306 K A -0.3692
307 K A -0.4850
308 Y A 0.0000
309 P A -0.6207
310 V A 0.0000
311 A A 0.0000
312 H A -0.2298
313 F A 0.3270
314 I A 0.1987
315 D A 0.0000
316 Q A -1.7833
317 T A -1.0341
318 L A 0.0000
319 K A -2.5336
320 A A 0.0000
321 K A -0.7673
322 V A 0.0000
323 G A 0.0000
324 Q A 0.0000
325 L A 0.0000
326 Q A -0.8552
327 L A 0.0000
328 S A -1.4532
329 H A -2.2156
330 N A -2.3691
331 L A 0.0000
332 S A 0.0000
333 L A 0.0000
334 V A 0.0000
335 I A 0.0000
336 L A 0.0000
337 V A 0.0000
338 P A 0.0000
339 Q A -2.0746
340 N A -2.2740
341 L A -1.2203
342 K A -2.3332
343 H A -2.6633
344 R A -2.9866
345 L A 0.0000
346 E A -1.8488
347 D A -1.9869
348 M A 0.0000
349 E A 0.0000
350 Q A -1.6128
351 A A -0.9815
352 L A 0.0000
353 S A -0.5322
354 P A -0.7617
355 S A -0.4770
356 V A -0.1435
357 F A 0.0000
358 K A -1.8470
359 A A -1.4252
360 I A 0.0000
361 M A 0.0000
362 E A -2.9478
363 K A -2.1945
364 L A 0.0000
365 E A -2.6548
366 M A -0.9049
367 S A -1.3798
368 K A -1.8562
369 F A -0.9105
370 Q A -1.1154
371 P A -0.7239
372 T A 0.0000
373 L A 0.0000
374 L A 0.0000
375 T A 0.0000
376 L A 0.0000
377 P A 0.0000
378 R A -1.3391
379 I A 0.0000
380 K A -2.5321
381 V A 0.0000
382 T A -0.7111
383 T A 0.0000
384 S A -0.5918
385 Q A 0.0000
386 D A -1.1541
387 M A 0.0000
388 L A -0.5589
389 S A -0.9845
390 I A 0.0000
391 M A 0.0000
392 E A -2.0802
393 K A -2.2445
394 L A -1.7091
395 E A -2.3946
396 F A 0.0000
397 F A 0.0185
398 D A 0.0000
399 F A 0.0000
400 S A 0.0368
401 Y A 0.1984
402 D A -1.4802
403 L A 0.0000
404 N A -1.6203
405 L A 0.0000
406 C A -0.6296
407 G A -0.4315
408 L A 0.0000
409 T A 0.0000
410 E A -2.2605
411 D A -2.0795
412 P A -1.8809
413 D A -2.5615
414 L A 0.0000
415 Q A -1.3403
416 V A 0.0000
417 S A -0.6723
418 A A -0.3899
419 M A 0.0000
420 Q A -0.5736
421 H A 0.0000
422 Q A 0.0000
423 T A 0.0000
424 V A 0.0000
425 L A 0.0000
426 E A -2.3645
427 L A 0.0000
428 T A -1.1204
429 E A 0.0000
430 T A -0.3663
431 G A -0.3709
432 V A 0.3543
433 E A -1.1861
434 A A -0.6075
435 A A -0.4146
436 A A -0.1821
437 A A 0.1412
438 S A -0.0078
439 A A 0.1481
440 I A 0.5374
441 S A 0.0447
442 V A -0.1613
443 A A -0.7730
444 R A -1.8514
445 T A -0.4612
446 L A 0.0000
447 L A 0.6490
448 V A 0.6775
449 F A 0.0000
450 E A 0.0000
451 V A 0.0000
452 Q A 0.0000
453 Q A 0.0000
454 P A -0.8499
455 F A 0.0000
456 L A 0.0000
457 F A 0.0000
458 M A 0.0000
459 L A 0.0000
460 W A 0.0000
461 D A 0.0000
462 Q A -2.2132
463 Q A -2.2932
464 H A -2.1734
465 K A -2.9712
466 F A 0.0000
467 P A 0.0000
468 V A 0.0000
469 F A 0.0000
470 M A 0.0000
471 G A 0.0000
472 R A 0.0000
473 V A 0.0000
474 Y A 0.0000
475 D A -1.1486
476 P A -1.1612
112 E B -2.0796
113 S B -1.7105
114 H B -1.6432
115 S B -1.0989
116 T B 0.0000
117 E B -1.4861
118 A B -0.7768
119 V B -0.0826
120 L B 0.0000
121 G B 0.0000
122 D B -1.7828
123 A B 0.0000
124 L B 0.0000
125 V B 0.0000
126 D B -1.1919
127 F B 0.0000
128 S B 0.0000
129 L B 0.0000
130 K B -0.8625
131 L B 0.0000
132 Y B 0.0000
133 H B -0.8299
134 A B 0.0000
135 F B 0.0000
136 S B -0.4068
137 A B -0.1126
138 M B -0.0762
139 K B -0.7137
140 K B -1.1891
141 V B 0.2949
142 E B -1.2282
143 T B -0.9127
144 N B -1.0988
145 M B 0.0000
146 A B 0.0000
147 F B 0.0000
148 S B 0.0000
149 P B 0.0000
150 F B 0.0000
151 S B 0.0000
152 I B 0.0000
153 A B 0.0000
154 S B -0.2332
155 L B 0.0000
156 L B 0.0000
157 T B 0.0000
158 Q B 0.0000
159 V B 0.0000
160 L B 0.0000
161 L B 0.2261
162 G B 0.0000
163 A B 0.0000
164 G B 0.0000
165 E B -2.3064
166 N B -2.1212
167 T B 0.0000
168 K B -1.7484
169 T B -1.8434
170 N B -1.4193
171 L B 0.0000
172 E B -1.3381
173 S B -0.9001
174 I B 0.0000
175 L B 0.0000
176 S B -0.7822
177 Y B 0.0000
178 P B -1.3552
179 K B -2.7435
180 D B -2.5869
181 F B -1.1893
182 T B -0.8789
183 C B -0.9249
184 V B 0.0000
185 H B -0.8430
186 Q B -1.7543
187 A B -1.5198
188 L B 0.0000
189 K B -1.9228
190 G B -1.5523
191 F B 0.0000
192 T B -1.0157
193 T B 0.0000
194 K B -2.0797
195 G B 0.0000
196 V B 0.0000
197 T B -0.7848
198 S B -0.4074
199 V B 0.0000
200 S B -0.1640
201 Q B 0.0000
202 I B 0.0000
203 F B 0.0000
204 H B 0.0000
205 S B -1.0229
206 P B -1.1072
207 D B -1.9377
208 L B 0.0000
209 A B -0.9199
210 I B -0.8926
211 R B -1.7781
212 D B -2.1010
213 T B -1.1982
214 F B 0.0000
215 V B -1.1745
216 N B -1.6264
217 A B -0.9314
218 S B 0.0000
219 R B -1.9396
220 T B -1.0955
221 L B -0.9444
222 Y B -0.8588
223 S B -1.0668
224 S B -0.9263
225 S B 0.0000
226 P B 0.0000
227 R B -0.4662
228 V B 0.5873
229 L B 0.0000
230 S B -0.9722
231 N B -2.1843
232 N B -2.3125
233 S B -2.2769
234 D B -2.5927
235 A B -1.7961
236 N B 0.0000
237 L B -1.7267
238 E B -2.3062
239 L B -0.5557
240 I B 0.0000
241 N B -1.8183
242 T B -1.4187
243 W B -1.0331
244 V B 0.0000
245 A B -2.4402
246 K B -2.7552
247 N B -1.9749
248 T B 0.0000
249 N B -2.8699
250 N B -3.1656
251 K B -2.4751
252 I B 0.0000
253 S B -2.3098
254 R B -2.8452
255 L B 0.0000
256 L B 0.0000
257 D B -2.4250
258 S B -1.4248
259 L B -0.9022
260 P B -0.9686
261 S B -1.6024
262 D B -1.9981
263 T B 0.0000
264 R B -1.1328
265 L B 0.0000
266 V B 0.0000
267 L B 0.0000
268 L B 0.0000
269 N B 0.0000
270 A B 0.0000
271 I B 0.0000
272 Y B 0.0000
273 L B 0.0000
274 S B -0.9459
275 A B 0.0000
276 K B -1.1896
277 W B 0.0000
278 K B -1.2173
279 T B -0.7289
280 T B -0.5014
281 F B 0.0000
282 D B -1.3237
283 P B -1.7158
284 K B -2.5709
285 K B -2.4881
286 T B -1.5955
287 R B -1.4756
288 M B -0.1809
289 E B -0.4869
290 P B -0.1314
291 F B 0.0000
292 H B -0.1666
293 F B -1.0098
294 K B -2.4046
295 N B -1.5995
296 S B -0.3506
297 V B 0.7961
298 I B 0.0257
299 K B -1.0723
300 V B 0.0000
301 P B -0.6092
302 M B 0.0000
303 M B 0.0000
304 N B -1.0558
305 S B 0.0000
306 K B -0.6651
307 K B -0.5666
308 Y B 0.0000
309 P B -0.6758
310 V B 0.0000
311 A B 0.0000
312 H B -0.2303
313 F B 0.2034
314 I B 0.1312
315 D B 0.0000
316 Q B -1.7983
317 T B -1.0379
318 L B 0.0000
319 K B -2.7822
320 A B 0.0000
321 K B -0.8566
322 V B 0.0000
323 G B 0.0000
324 Q B 0.0000
325 L B 0.0000
326 Q B -0.8476
327 L B 0.0000
328 S B -1.5170
329 H B -2.4241
330 N B -2.4568
331 L B 0.0000
332 S B 0.0000
333 L B 0.0000
334 V B 0.0000
335 I B 0.0000
336 L B 0.0000
337 V B 0.0000
338 P B 0.0000
339 Q B -2.5873
340 N B -2.5453
341 L B -1.4145
342 K B -2.4359
343 H B -2.9726
344 R B -3.3343
345 L B 0.0000
346 E B -2.1894
347 D B -3.1184
348 M B 0.0000
349 E B 0.0000
350 Q B -1.9947
351 A B -1.2783
352 L B 0.0000
353 S B -0.5214
354 P B -0.8149
355 S B -0.5500
356 V B -0.2109
357 F B 0.0000
358 K B -2.0193
359 A B -1.5599
360 I B 0.0000
361 M B 0.0000
362 E B -3.0289
363 K B -2.3674
364 L B 0.0000
365 E B -2.6590
366 M B -0.9485
367 S B -1.4150
368 K B -1.8729
369 F B -0.9095
370 Q B -0.7613
371 P B -0.5704
372 T B 0.0000
373 L B 0.0000
374 L B 0.0000
375 T B 0.0000
376 L B 0.0000
377 P B 0.0000
378 R B -1.3289
379 I B 0.0000
380 K B -2.5301
381 V B 0.0000
382 T B -0.7335
383 T B 0.0000
384 S B -0.5795
385 Q B 0.0000
386 D B -1.1185
387 M B 0.0000
388 L B -0.5326
389 S B -0.9091
390 I B 0.0000
391 M B 0.0000
392 E B -1.9273
393 K B -1.9676
394 L B -1.5809
395 E B -2.3101
396 F B 0.0000
397 F B 0.0263
398 D B 0.0000
399 F B 0.0000
400 S B 0.0178
401 Y B 0.1816
402 D B -1.5365
403 L B 0.0000
404 N B -1.5995
405 L B 0.0000
406 C B -0.6058
407 G B -0.4613
408 L B 0.0000
409 T B 0.0000
410 E B -2.2852
411 D B -2.1019
412 P B -2.0499
413 D B -2.5305
414 L B 0.0000
415 Q B -1.3570
416 V B 0.0000
417 S B -0.6830
418 A B -0.3888
419 M B 0.0000
420 Q B -0.5806
421 H B 0.0000
422 Q B 0.0000
423 T B 0.0000
424 V B 0.0000
425 L B 0.0000
426 E B -2.3735
427 L B 0.0000
428 T B -1.1163
429 E B 0.0000
430 T B -0.3481
431 G B -0.3236
432 V B 0.3941
433 E B -1.1504
434 A B -0.5838
435 A B -0.4100
436 A B -0.2200
437 A B 0.0635
438 S B -0.1056
439 A B -0.0701
440 I B 0.2666
441 S B -0.1573
442 V B 0.0000
443 A B -0.8301
444 R B -1.4606
445 T B 0.0000
446 L B 1.5680
447 L B 1.1959
448 V B 0.8412
449 F B 0.0000
450 E B 0.0000
451 V B 0.0000
452 Q B 0.0000
453 Q B 0.0000
454 P B -0.8285
455 F B 0.0000
456 L B 0.0000
457 F B 0.0000
458 M B 0.0000
459 L B 0.0000
460 W B 0.0000
461 D B 0.0000
462 Q B -2.0999
463 Q B -2.1893
464 H B -1.7574
465 K B -2.4753
466 F B 0.0000
467 P B 0.0000
468 V B 0.0000
469 F B 0.0000
470 M B 0.0000
471 G B 0.0000
472 R B 0.0000
473 V B 0.0000
474 Y B 0.0000
475 D B -1.2150
476 P B -1.2034
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Automated mutations analysis

In the automated mutations mode, the server selects aggregation prone resides and each selected residue is mutated to glutamic acid, lysine, aspartic acid and arginine. The table below shows 2 best scored mutants for each mutated residue. Protein variants are ordered according to the mutation effect they had on protein stability (energetic effect) together with the difference in the average per-residue aggregation score between the wild type and the mutant (in the table green values indicate a positive change, grey are neutral, and orange/red mean destabilizing or more aggregation prone mutants).
Summary for all the mutants can be found in this CSV file.

Mutant
Energetic effect
Score comparison
VR297B -0.3203 -0.0151 View CSV PDB
VR228A -0.3969 -0.0104 View CSV PDB
VK297B -0.0297 -0.012 View CSV PDB
VK228A -0.0305 -0.011 View CSV PDB
LK447B -0.0018 -0.001 View CSV PDB
LR447B 0.1372 -0.0044 View CSV PDB
VR297A 0.3987 -0.0119 View CSV PDB
LK446B 0.3315 -0.0082 View CSV PDB
VK297A 0.4411 -0.0107 View CSV PDB
LR446B 0.3138 -0.0074 View CSV PDB
VD448B 3.1884 0.0006 View CSV PDB
VK448B 2.1362 0.0015 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018