Project name: name-true

Status: done

Started: 2025-12-23 11:04:33
Settings
Chain sequence(s) A: PSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTT
B: PSSTSPVYDLQRYTAESLRLAPYPADLKVPTAFPQDHQPRGRILLSHDELMHTDYLLHIRQQFDWLEEPLLRKLVVEKIFAVYNAPNLHTLLAIIDETLSYMKYHHLHGLPVNPHDPYLETVGGMRQLLFNKLNNLDLGCILDHQDGWGDHCSTLKRLVKKPGQMSAWLRDDVCDLQKRPPETFSQPMHRAMAYVCSFSRVAVSLRRRALQVTGTPQFFDQFDTNNAMGTYRCGAVSDLILGALQCHECQNEMCELRIQRALAPYRFMIAYCPFDEQSLLDLTVFAGTTT
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]                                                (00:00:01)
[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 all 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                                          (00:11:12)
[INFO]       Auto_mut: Residue number 531 from chain B and a score of 1.813 (valine) selected for  
                       automated muatation                                                         (00:11:19)
[INFO]       Auto_mut: Residue number 531 from chain A and a score of 1.742 (valine) selected for  
                       automated muatation                                                         (00:11:19)
[INFO]       Auto_mut: Residue number 526 from chain B and a score of 1.550 (leucine) selected for 
                       automated muatation                                                         (00:11:19)
[INFO]       Auto_mut: Residue number 526 from chain A and a score of 1.544 (leucine) selected for 
                       automated muatation                                                         (00:11:19)
[INFO]       Auto_mut: Residue number 291 from chain B and a score of 1.490 (leucine) selected for 
                       automated muatation                                                         (00:11:19)
[INFO]       Auto_mut: Residue number 527 from chain A and a score of 1.442 (leucine) selected for 
                       automated muatation                                                         (00:11:19)
[INFO]       Auto_mut: Mutating residue number 531 from chain B (valine) into glutamic acid        (00:11:19)
[INFO]       Auto_mut: Mutating residue number 531 from chain B (valine) into aspartic acid        (00:11:19)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (valine) into glutamic acid        (00:11:19)
[INFO]       Auto_mut: Mutating residue number 531 from chain B (valine) into arginine             (00:16:45)
[INFO]       Auto_mut: Mutating residue number 531 from chain B (valine) into lysine               (00:16:55)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (valine) into lysine               (00:16:58)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (valine) into aspartic acid        (00:22:34)
[INFO]       Auto_mut: Mutating residue number 526 from chain B (leucine) into glutamic acid       (00:23:02)
[INFO]       Auto_mut: Mutating residue number 526 from chain B (leucine) into aspartic acid       (00:23:08)
[INFO]       Auto_mut: Mutating residue number 531 from chain A (valine) into arginine             (00:28:01)
[INFO]       Auto_mut: Mutating residue number 526 from chain B (leucine) into lysine              (00:28:31)
[INFO]       Auto_mut: Mutating residue number 526 from chain B (leucine) into arginine            (00:28:36)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into glutamic acid       (00:33:33)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into aspartic acid       (00:34:19)
[INFO]       Auto_mut: Mutating residue number 291 from chain B (leucine) into glutamic acid       (00:34:28)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into lysine              (00:38:57)
[INFO]       Auto_mut: Mutating residue number 526 from chain A (leucine) into arginine            (00:39:35)
[INFO]       Auto_mut: Mutating residue number 291 from chain B (leucine) into lysine              (00:40:01)
[INFO]       Auto_mut: Mutating residue number 291 from chain B (leucine) into aspartic acid       (00:44:49)
[INFO]       Auto_mut: Mutating residue number 527 from chain A (leucine) into glutamic acid       (00:45:25)
[INFO]       Auto_mut: Mutating residue number 527 from chain A (leucine) into aspartic acid       (00:46:02)
[INFO]       Auto_mut: Mutating residue number 291 from chain B (leucine) into arginine            (00:50:16)
[INFO]       Auto_mut: Mutating residue number 527 from chain A (leucine) into lysine              (00:51:03)
[INFO]       Auto_mut: Mutating residue number 527 from chain A (leucine) into arginine            (00:51:30)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain B (valine) into glutamic   
                       acid: Energy difference: -0.5465 kcal/mol, Difference in average score from 
                       the base case: -0.0330                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain B (valine) into lysine:    
                       Energy difference: -0.2933 kcal/mol, Difference in average score from the   
                       base case: -0.0322                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain B (valine) into aspartic   
                       acid: Energy difference: -0.3214 kcal/mol, Difference in average score from 
                       the base case: -0.0329                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain B (valine) into arginine:  
                       Energy difference: -0.2255 kcal/mol, Difference in average score from the   
                       base case: -0.0333                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (valine) into glutamic   
                       acid: Energy difference: -0.6954 kcal/mol, Difference in average score from 
                       the base case: -0.0311                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (valine) into lysine:    
                       Energy difference: -0.2198 kcal/mol, Difference in average score from the   
                       base case: -0.0318                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (valine) into aspartic   
                       acid: Energy difference: -0.2868 kcal/mol, Difference in average score from 
                       the base case: -0.0356                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 531 from chain A (valine) into arginine:  
                       Energy difference: -0.3738 kcal/mol, Difference in average score from the   
                       base case: -0.0352                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain B (leucine) into glutamic  
                       acid: Energy difference: 0.5569 kcal/mol, Difference in average score from  
                       the base case: -0.0340                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain B (leucine) into lysine:   
                       Energy difference: -0.3869 kcal/mol, Difference in average score from the   
                       base case: -0.0273                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain B (leucine) into aspartic  
                       acid: Energy difference: 1.0110 kcal/mol, Difference in average score from  
                       the base case: -0.0326                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain B (leucine) into arginine: 
                       Energy difference: 0.0742 kcal/mol, Difference in average score from the    
                       base case: -0.0290                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.5777 kcal/mol, Difference in average score from  
                       the base case: -0.0357                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into lysine:   
                       Energy difference: -0.4164 kcal/mol, Difference in average score from the   
                       base case: -0.0310                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.0684 kcal/mol, Difference in average score from  
                       the base case: -0.0334                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 526 from chain A (leucine) into arginine: 
                       Energy difference: -0.2595 kcal/mol, Difference in average score from the   
                       base case: -0.0336                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 291 from chain B (leucine) into glutamic  
                       acid: Energy difference: -0.0462 kcal/mol, Difference in average score from 
                       the base case: -0.0210                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 291 from chain B (leucine) into lysine:   
                       Energy difference: -0.0401 kcal/mol, Difference in average score from the   
                       base case: -0.0243                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 291 from chain B (leucine) into aspartic  
                       acid: Energy difference: 0.8055 kcal/mol, Difference in average score from  
                       the base case: -0.0250                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 291 from chain B (leucine) into arginine: 
                       Energy difference: -2.2438 kcal/mol, Difference in average score from the   
                       base case: -0.0279                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 527 from chain A (leucine) into glutamic  
                       acid: Energy difference: 0.8082 kcal/mol, Difference in average score from  
                       the base case: -0.0312                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 527 from chain A (leucine) into lysine:   
                       Energy difference: 0.3283 kcal/mol, Difference in average score from the    
                       base case: -0.0306                                                          (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 527 from chain A (leucine) into aspartic  
                       acid: Energy difference: 1.1872 kcal/mol, Difference in average score from  
                       the base case: -0.0316                                                      (00:57:11)
[INFO]       Auto_mut: Effect of mutation residue number 527 from chain A (leucine) into arginine: 
                       Energy difference: 0.4366 kcal/mol, Difference in average score from the    
                       base case: -0.0322                                                          (00:57:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:57:22)
Show buried residues
Minimal score value
-3.6375
Maximal score value
1.813
Average score
-0.6625
Total score value
-384.2628
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
248 P A -0.4259
249 S A -0.4845
250 S A -0.4848
251 T A -0.3103
252 S A -0.3510
253 P A -0.0489
254 V A 0.5989
255 Y A 0.1540
256 D A -0.8874
257 L A 0.0000
258 Q A -2.1733
259 R A -2.4235
260 Y A -1.4969
261 T A -1.6178
262 A A -1.7737
263 E A -2.5435
264 S A -1.8325
265 L A -1.6942
266 R A -2.6746
267 L A 0.0000
268 A A -1.0186
269 P A -0.6900
270 Y A -0.1288
271 P A -0.4575
272 A A -0.6694
273 D A -1.9420
274 L A 0.0000
275 K A 0.0000
276 V A 0.8311
277 P A 0.0000
278 T A 0.1840
279 A A 0.0000
280 F A 0.0544
281 P A -1.1681
282 Q A -2.3204
283 D A -3.0175
284 H A -2.9700
285 Q A -2.7118
286 P A -1.8392
287 R A -2.4233
288 G A -1.6187
289 R A -0.8787
290 I A 0.4043
291 L A 0.9342
292 L A 0.0000
293 S A 0.0000
294 H A -1.3901
295 D A -2.3116
296 E A -1.2220
297 L A 0.0000
298 M A 0.0000
299 H A -1.7378
300 T A 0.0000
301 D A -0.8937
302 Y A 0.0000
303 L A 0.0000
304 L A 0.0000
305 H A -0.3245
306 I A 0.0000
307 R A 0.0000
308 Q A -0.5173
309 Q A -0.0506
310 F A 0.0000
311 D A -0.7760
312 W A 0.2799
313 L A -0.8209
314 E A -2.4364
315 E A -3.0893
316 P A -2.1532
317 L A -1.1302
318 L A 0.0000
319 R A -2.8151
320 K A -1.9738
321 L A 0.0000
322 V A 0.0000
323 V A 0.0000
324 E A -1.0296
325 K A 0.0000
326 I A -0.0757
327 F A 0.0000
328 A A 0.0000
329 V A 0.0000
330 Y A 0.4228
331 N A 0.0000
332 A A 0.0000
333 P A -0.0216
334 N A 0.0000
335 L A 0.0000
336 H A -0.5371
337 T A -0.1243
338 L A 0.0000
339 L A 0.0000
340 A A 0.0134
341 I A 0.0000
342 I A 0.0000
343 D A 0.0000
344 E A 0.0000
345 T A 0.0000
346 L A 0.0000
347 S A 0.0000
348 Y A 0.0000
349 M A 0.0000
350 K A 0.0000
351 Y A 0.0000
352 H A 0.0000
353 H A -0.3260
354 L A 0.4927
355 H A -0.0177
356 G A -0.2204
357 L A 0.0000
358 P A 0.0000
359 V A 0.0000
360 N A 0.0000
361 P A 0.0000
362 H A -1.6135
363 D A 0.0000
364 P A 0.0000
365 Y A 0.0000
366 L A 0.0000
367 E A -0.9470
368 T A 0.0000
369 V A 0.0000
370 G A -0.3084
371 G A -0.2859
372 M A 0.0000
373 R A -0.9761
374 Q A -1.5142
375 L A -0.5951
376 L A 0.0000
377 F A 0.0000
378 N A -1.1697
379 K A -0.8035
380 L A 0.0000
381 N A -1.0876
382 N A 0.0000
383 L A 0.0000
384 D A -1.3555
385 L A 0.0000
386 G A 0.0000
387 C A -1.7799
388 I A 0.0000
389 L A 0.0000
390 D A -1.7397
391 H A -2.1801
392 Q A -2.4676
393 D A -2.5414
394 G A -1.2043
395 W A -0.5239
396 G A -1.3894
397 D A -2.0592
398 H A -1.6488
399 C A 0.0000
400 S A -1.1699
401 T A -1.1629
402 L A 0.0000
403 K A -1.7804
404 R A -1.6628
405 L A 0.0000
406 V A 0.0000
407 K A -2.4967
408 K A -2.8442
409 P A -2.2261
410 G A -1.9232
411 Q A -2.4295
412 M A 0.0000
413 S A -0.5298
414 A A -0.4643
415 W A 0.2091
416 L A -0.8917
417 R A -2.7513
418 D A -3.1758
419 D A -3.3777
420 V A 0.0000
421 C A -2.9316
422 D A -3.6375
423 L A -2.3800
424 Q A -2.4349
425 K A -3.0566
426 R A -2.3055
427 P A -1.4999
428 P A 0.0000
429 E A -1.1908
430 T A -0.7170
431 F A 0.0000
432 S A -0.2960
433 Q A -0.5315
434 P A -0.2084
435 M A 0.0000
436 H A 0.0000
437 R A -0.6375
438 A A 0.0000
439 M A 0.0000
440 A A 0.0000
441 Y A 0.0000
442 V A 0.0000
443 C A 0.0000
444 S A 0.0000
445 F A 0.0000
446 S A 0.0000
447 R A -0.3590
448 V A 0.0000
449 A A 0.0000
450 V A 0.3584
451 S A -0.6438
452 L A 0.0000
453 R A -1.1857
454 R A -1.9426
455 R A -1.8358
456 A A -0.7701
457 L A 0.0515
458 Q A -1.0778
459 V A -0.1845
460 T A 0.0486
461 G A -0.1187
462 T A 0.0137
463 P A 0.3021
464 Q A 0.0000
465 F A -0.4320
466 F A 0.0000
467 D A -2.3075
468 Q A -1.8179
469 F A -1.0397
470 D A 0.0000
471 T A -1.3862
472 N A -1.5071
473 N A -2.0653
474 A A 0.0000
475 M A 0.0000
476 G A -0.9756
477 T A -0.8820
478 Y A 0.0000
479 R A -1.1411
480 C A 0.0000
481 G A 0.0000
482 A A -0.4335
483 V A 0.0000
484 S A -0.1650
485 D A -0.0755
486 L A 0.0000
487 I A 0.0000
488 L A -0.1169
489 G A -0.1292
490 A A 0.0000
491 L A 0.0000
492 Q A -1.3839
493 C A -0.2920
494 H A -1.2900
495 E A -2.4792
496 C A -2.1866
497 Q A -2.5284
498 N A -2.7446
499 E A -3.1088
500 M A -2.2793
501 C A 0.0000
502 E A -3.4501
503 L A -2.0943
504 R A -1.6391
505 I A -1.4468
506 Q A -1.6363
507 R A -1.4238
508 A A 0.0000
509 L A -0.2708
510 A A -0.7074
511 P A -0.7052
512 Y A -0.6118
513 R A -1.5128
514 F A -0.0702
515 M A 0.0000
516 I A 0.5527
517 A A 0.0000
518 Y A 0.0000
519 C A 0.9793
520 P A 0.3852
521 F A 0.1122
522 D A 0.0000
523 E A -1.0876
524 Q A -0.6977
525 S A -0.0017
526 L A 1.5435
527 L A 1.4422
528 D A 0.3839
529 L A 0.9884
530 T A 1.2109
531 V A 1.7422
532 F A 0.0000
533 A A 0.3270
534 G A 0.0758
535 T A -0.0194
536 T A -0.0935
537 T A -0.2389
248 P B -0.4265
249 S B -0.4815
250 S B -0.4780
251 T B -0.3314
252 S B -0.3924
253 P B -0.1502
254 V B 0.3758
255 Y B 0.0367
256 D B -1.0169
257 L B 0.0000
258 Q B -2.2028
259 R B -2.4315
260 Y B -1.5003
261 T B -1.6372
262 A B -1.8235
263 E B -2.5576
264 S B -1.8333
265 L B -1.7207
266 R B -2.7025
267 L B 0.0000
268 A B -1.0634
269 P B -0.7263
270 Y B -0.2043
271 P B -0.4962
272 A B -0.7223
273 D B -1.9620
274 L B 0.0000
275 K B 0.0000
276 V B 0.6174
277 P B 0.0000
278 T B 0.1831
279 A B 0.1450
280 F B 0.1269
281 P B -1.1279
282 Q B -2.2711
283 D B -2.9201
284 H B -2.7059
285 Q B -2.1499
286 P B -1.6399
287 R B -2.3100
288 G B -1.5459
289 R B -0.6558
290 I B 0.9047
291 L B 1.4898
292 L B 0.0000
293 S B 0.0000
294 H B -1.5050
295 D B -2.4012
296 E B -1.2569
297 L B 0.0000
298 M B 0.0000
299 H B -1.8379
300 T B 0.0000
301 D B -1.0364
302 Y B 0.0000
303 L B 0.0000
304 L B 0.0000
305 H B -0.5035
306 I B 0.0000
307 R B 0.0000
308 Q B -0.6707
309 Q B -0.0703
310 F B 0.0000
311 D B -0.8152
312 W B 0.2723
313 L B -0.7744
314 E B -2.3958
315 E B -2.9857
316 P B -2.0958
317 L B -1.0782
318 L B 0.0000
319 R B -2.5062
320 K B -1.9054
321 L B 0.0000
322 V B 0.0000
323 V B 0.0000
324 E B -1.0521
325 K B 0.0000
326 I B -0.0690
327 F B 0.0000
328 A B 0.0000
329 V B 0.0000
330 Y B 0.4212
331 N B 0.0000
332 A B 0.0000
333 P B -0.0250
334 N B 0.0000
335 L B 0.0000
336 H B -0.5240
337 T B -0.1261
338 L B 0.0000
339 L B 0.0000
340 A B -0.0032
341 I B 0.0000
342 I B 0.0000
343 D B 0.0000
344 E B 0.0000
345 T B 0.0000
346 L B 0.0000
347 S B 0.0000
348 Y B 0.0000
349 M B 0.0000
350 K B 0.0000
351 Y B 0.0000
352 H B 0.0000
353 H B -0.2827
354 L B 0.5732
355 H B 0.0093
356 G B -0.1808
357 L B 0.0000
358 P B 0.0000
359 V B 0.0000
360 N B 0.0000
361 P B 0.0000
362 H B -1.1986
363 D B 0.0000
364 P B 0.0000
365 Y B 0.0000
366 L B 0.0000
367 E B -0.6678
368 T B 0.0000
369 V B 0.0000
370 G B -0.2142
371 G B -0.2406
372 M B 0.0000
373 R B -0.9827
374 Q B -1.5235
375 L B -0.6200
376 L B 0.0000
377 F B 0.0000
378 N B -1.2269
379 K B -0.8380
380 L B 0.0000
381 N B -1.1856
382 N B 0.0000
383 L B 0.0000
384 D B -1.5001
385 L B 0.0000
386 G B 0.0000
387 C B -1.8051
388 I B 0.0000
389 L B 0.0000
390 D B -1.7509
391 H B -2.1803
392 Q B -2.5016
393 D B -2.5832
394 G B -1.2777
395 W B -0.6188
396 G B -1.4150
397 D B -2.0776
398 H B -1.6908
399 C B 0.0000
400 S B -1.3227
401 T B -1.3269
402 L B 0.0000
403 K B -2.1411
404 R B -2.0037
405 L B 0.0000
406 V B 0.0000
407 K B -2.4755
408 K B -2.6014
409 P B -2.1244
410 G B -1.8340
411 Q B -2.3443
412 M B 0.0000
413 S B -0.5275
414 A B -0.4757
415 W B 0.1825
416 L B -0.9851
417 R B -2.7774
418 D B -3.1842
419 D B -3.4156
420 V B 0.0000
421 C B -2.8999
422 D B -3.5873
423 L B -2.3333
424 Q B 0.0000
425 K B -2.9519
426 R B -2.2132
427 P B -1.4324
428 P B 0.0000
429 E B -1.1990
430 T B -0.7258
431 F B 0.0000
432 S B -0.2859
433 Q B -0.5362
434 P B -0.2550
435 M B 0.0000
436 H B 0.0000
437 R B -0.6232
438 A B 0.0000
439 M B 0.0000
440 A B 0.0000
441 Y B 0.0000
442 V B 0.0000
443 C B 0.0000
444 S B 0.0000
445 F B 0.0000
446 S B 0.0000
447 R B -0.3730
448 V B 0.0000
449 A B 0.0000
450 V B 0.3090
451 S B -0.7983
452 L B 0.0000
453 R B -1.4076
454 R B -2.2303
455 R B -2.3096
456 A B -1.0529
457 L B -0.1592
458 Q B -1.3033
459 V B -0.4395
460 T B -0.1121
461 G B -0.2169
462 T B -0.1284
463 P B 0.2010
464 Q B 0.0000
465 F B -0.3845
466 F B 0.0000
467 D B -2.2753
468 Q B -1.8000
469 F B -1.0381
470 D B 0.0000
471 T B -1.3227
472 N B 0.0000
473 N B -1.9946
474 A B 0.0000
475 M B 0.0000
476 G B -0.9120
477 T B -0.8529
478 Y B 0.0000
479 R B -1.1350
480 C B 0.0000
481 G B 0.0000
482 A B -0.5152
483 V B 0.0000
484 S B -0.2106
485 D B -0.2003
486 L B 0.0000
487 I B 0.0000
488 L B -0.1734
489 G B -0.1867
490 A B 0.0000
491 L B 0.0000
492 Q B -1.3849
493 C B -0.2822
494 H B -1.2590
495 E B -2.4201
496 C B -2.0775
497 Q B -2.4839
498 N B -2.7384
499 E B -3.1273
500 M B -2.3620
501 C B 0.0000
502 E B -3.4614
503 L B -2.1047
504 R B -1.6938
505 I B -1.3114
506 Q B -1.6756
507 R B -1.4232
508 A B 0.0000
509 L B -0.3028
510 A B -0.7214
511 P B -0.7025
512 Y B -0.6008
513 R B -1.4763
514 F B -0.0179
515 M B 0.0000
516 I B 0.5420
517 A B 0.0000
518 Y B 0.0000
519 C B 0.7640
520 P B 0.0000
521 F B 0.1249
522 D B 0.0000
523 E B -1.2399
524 Q B -0.7187
525 S B 0.0369
526 L B 1.5502
527 L B 1.4268
528 D B 0.6328
529 L B 1.1555
530 T B 1.2701
531 V B 1.8130
532 F B 0.0000
533 A B 0.3941
534 G B 0.0918
535 T B -0.0013
536 T B -0.1070
537 T B -0.2437
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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
LR291B -2.2438 -0.0279 View CSV PDB
VE531A -0.6954 -0.0311 View CSV PDB
VE531B -0.5465 -0.033 View CSV PDB
VR531A -0.3738 -0.0352 View CSV PDB
LK526A -0.4164 -0.031 View CSV PDB
VD531B -0.3214 -0.0329 View CSV PDB
LR526A -0.2595 -0.0336 View CSV PDB
LK526B -0.3869 -0.0273 View CSV PDB
LK291B -0.0401 -0.0243 View CSV PDB
LR526B 0.0742 -0.029 View CSV PDB
LK527A 0.3283 -0.0306 View CSV PDB
LR527A 0.4366 -0.0322 View CSV PDB
 
Laboratory of Theory of Biopolymers 2018