Project name: 233271349e72c16

Status: done

Started: 2026-03-05 11:36:20
Settings
Chain sequence(s) A: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
C: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
B: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
E: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
D: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
G: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
F: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
I: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
H: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
J: QIVYKPVDLSKVTSKCGSLGNIHHKPGGGQMEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLT
input PDB
Selected Chain(s) A,C,B,E,D,G,F,I,H,J
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 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                                          (00:46:13)
[INFO]       Main:     Simulation completed successfully.                                          (00:46:25)
Show buried residues

Minimal score value
-4.4659
Maximal score value
2.5208
Average score
-0.9685
Total score value
-687.6453

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
307 Q A -1.7612
308 I A -0.2914
309 V A -0.1145
310 Y A 0.0000
311 K A -1.3606
312 P A -0.9685
313 V A -0.0814
314 D A -0.1215
315 L A 0.5654
316 S A 0.0000
317 K A -1.3682
318 V A 0.0000
319 T A 0.0000
320 S A 0.0000
321 K A -1.9288
322 C A 0.0000
323 G A -0.6704
324 S A -0.0557
325 L A 0.1991
326 G A -0.4748
327 N A -1.0636
328 I A 0.0000
329 H A -1.3258
330 H A 0.0000
331 K A -2.3523
332 P A 0.0000
333 G A -1.3210
334 G A -1.5776
335 G A -1.4244
336 Q A -2.0918
337 M A 0.0000
338 E A -2.1719
339 V A 0.0000
340 K A -1.6645
341 S A -1.5543
342 E A -2.2869
343 K A -2.6570
344 L A 0.0000
345 D A -2.6007
346 F A 0.0000
347 K A -3.8853
348 D A -3.7577
349 R A -3.7567
350 V A 0.0000
351 Q A -2.2223
352 S A -1.2707
353 K A -1.5406
354 I A 0.0000
355 G A 0.0000
356 S A 0.0000
357 L A 0.0000
358 D A -1.5220
359 N A 0.0000
360 I A 0.3674
361 T A 0.0000
362 H A -0.2441
363 V A 0.0000
364 P A 0.0000
365 G A -0.7920
366 G A 0.0000
367 G A -0.8459
368 N A 0.0000
369 K A -1.4908
370 K A 0.0000
371 I A 0.5324
372 E A -0.4905
373 T A -0.5277
374 H A 0.0000
375 K A -1.5312
376 L A 0.0000
377 T A -0.4109
307 Q E -0.1524
308 I E 2.3636
309 V E 2.4791
310 Y E 1.7831
311 K E -0.5992
312 P E 0.0192
313 V E 1.1523
314 D E 0.2546
315 L E 1.0567
316 S E 0.0186
317 K E -0.8385
318 V E 0.7715
319 T E -0.3089
320 S E -0.7672
321 K E -2.0010
322 C E -0.5315
323 G E -0.4670
324 S E 0.1007
325 L E 0.4853
326 G E -0.5564
327 N E -1.4720
328 I E -0.7308
329 H E -1.9093
330 H E -1.8162
331 K E -2.8850
332 P E -1.5996
333 G E -1.5855
334 G E -1.7541
335 G E -1.5669
336 Q E -2.2457
337 M E -1.3726
338 E E -2.6544
339 V E -1.4912
340 K E -2.8017
341 S E -2.3088
342 E E -3.6067
343 K E -3.3009
344 L E -2.0170
345 D E -2.7299
346 F E -2.0564
347 K E -3.3924
348 D E -3.4299
349 R E -3.8536
350 V E -2.4786
351 Q E -2.7261
352 S E -1.7439
353 K E -2.2813
354 I E -1.0390
355 G E -1.1210
356 S E -1.0496
357 L E -1.2711
358 D E -1.8185
359 N E -1.0272
360 I E 0.2542
361 T E 0.0000
362 H E -0.6416
363 V E -0.2005
364 P E -0.4877
365 G E -0.7964
366 G E -1.1654
367 G E -1.2055
368 N E -1.3275
369 K E -1.9513
370 K E -0.7079
371 I E 0.9041
372 E E -0.3811
373 T E -0.9708
374 H E -1.8839
375 K E -2.2684
376 L E -0.8807
377 T E -0.4827
307 Q B -1.4057
308 I B -0.0971
309 V B 0.0035
310 Y B 0.0000
311 K B -1.0977
312 P B 0.0000
313 V B -0.2556
314 D B -0.3356
315 L B 0.0893
316 S B 0.0000
317 K B -1.5336
318 V B 0.0000
319 T B -1.2210
320 S B 0.0000
321 K B -1.9640
322 C B -1.0548
323 G B -0.6432
324 S B 0.0093
325 L B 0.1308
326 G B -0.3734
327 N B -0.9395
328 I B 0.0000
329 H B -1.3595
330 H B 0.0000
331 K B -2.2902
332 P B 0.0000
333 G B -1.4600
334 G B -1.8409
335 G B -1.5962
336 Q B -2.3680
337 M B 0.0000
338 E B -2.0588
339 V B 0.0000
340 K B -1.6059
341 S B -1.8395
342 E B -2.8405
343 K B -3.2945
344 L B 0.0000
345 D B -2.6071
346 F B 0.0000
347 K B -3.9698
348 D B -3.3133
349 R B -2.9407
350 V B 0.0000
351 Q B -2.0604
352 S B -1.1712
353 K B -1.4029
354 I B 0.0000
355 G B 0.0000
356 S B 0.0000
357 L B 0.0000
358 D B -1.4170
359 N B 0.0000
360 I B 0.0781
361 T B 0.0000
362 H B 0.2730
363 V B 0.2900
364 P B 0.0000
365 G B -0.8327
366 G B -1.4687
367 G B -1.4728
368 N B 0.0000
369 K B -2.3110
370 K B -1.5872
371 I B -0.3329
372 E B -0.7831
373 T B -1.0477
374 H B 0.0000
375 K B -1.3603
376 L B -0.1662
377 T B -0.1369
307 Q D -0.8094
308 I D 0.7582
309 V D 0.8461
310 Y D 0.6440
311 K D -0.7470
312 P D 0.0000
313 V D 0.1025
314 D D 0.2433
315 L D 0.6056
316 S D -0.0026
317 K D -0.6787
318 V D -0.4860
319 T D 0.0000
320 S D -0.9881
321 K D -2.0053
322 C D -0.9014
323 G D -0.4970
324 S D 0.0682
325 L D 0.0129
326 G D -0.5298
327 N D -1.1397
328 I D 0.0000
329 H D -1.7202
330 H D 0.0000
331 K D -2.6462
332 P D 0.0000
333 G D -1.6895
334 G D -1.8454
335 G D -1.4717
336 Q D -2.1083
337 M D 0.0000
338 E D -2.6901
339 V D -1.6164
340 K D -2.2962
341 S D -2.2048
342 E D -3.0184
343 K D -3.0516
344 L D -2.4001
345 D D -2.7431
346 F D 0.0000
347 K D -4.0439
348 D D -4.0110
349 R D -4.4659
350 V D 0.0000
351 Q D -2.8456
352 S D -1.6806
353 K D -1.8133
354 I D 0.0000
355 G D 0.0000
356 S D 0.0000
357 L D 0.0000
358 D D -1.5218
359 N D 0.0000
360 I D 0.0452
361 T D 0.0000
362 H D -0.2446
363 V D 0.0000
364 P D 0.0000
365 G D -0.7167
366 G D 0.0000
367 G D -0.9579
368 N D 0.0000
369 K D -1.4590
370 K D -0.7079
371 I D 0.3466
372 E D -0.2549
373 T D -0.8767
374 H D -1.6416
375 K D -1.7707
376 L D 0.0000
377 T D -0.6270
307 Q C -0.9206
308 I C 0.8600
309 V C 0.6314
310 Y C 0.1085
311 K C -1.2778
312 P C -0.9990
313 V C -0.0403
314 D C -0.8100
315 L C 0.5198
316 S C -0.5597
317 K C -1.5708
318 V C -1.1904
319 T C -1.0425
320 S C -1.0652
321 K C -2.0932
322 C C -0.8552
323 G C -0.6832
324 S C 0.0382
325 L C 0.3374
326 G C -0.6405
327 N C -1.2808
328 I C -0.2427
329 H C -1.4074
330 H C -1.3405
331 K C -2.5959
332 P C -1.5901
333 G C -1.5641
334 G C -1.6677
335 G C -1.6771
336 Q C -2.3007
337 M C -1.3232
338 E C -2.0038
339 V C -0.4241
340 K C -1.5385
341 S C -1.8323
342 E C -3.1143
343 K C -2.9965
344 L C -1.9044
345 D C -2.1603
346 F C -1.4628
347 K C -2.8891
348 D C -2.9313
349 R C -2.6432
350 V C -0.6651
351 Q C -1.7561
352 S C -0.9214
353 K C -0.9689
354 I C 0.5356
355 G C -0.1567
356 S C -0.6538
357 L C -0.8702
358 D C -1.8733
359 N C -1.2102
360 I C 0.4573
361 T C 0.3413
362 H C 0.2930
363 V C 1.2307
364 P C 0.0500
365 G C -0.6937
366 G C -1.2034
367 G C -1.6399
368 N C -3.1818
369 K C -3.1816
370 K C -2.4678
371 I C -0.0970
372 E C -1.5032
373 T C -1.4866
374 H C -2.1985
375 K C -1.7048
376 L C 0.3599
377 T C 0.1948
307 Q F -1.6758
308 I F -0.0993
309 V F 0.1701
310 Y F 0.0000
311 K F -1.3502
312 P F -0.8762
313 V F -0.0514
314 D F -0.0326
315 L F 0.6154
316 S F 0.0000
317 K F -1.6147
318 V F 0.0000
319 T F 0.0000
320 S F 0.0000
321 K F -2.4053
322 C F 0.0000
323 G F -0.7908
324 S F -0.1301
325 L F 0.1426
326 G F -0.5137
327 N F -1.0765
328 I F 0.0000
329 H F -1.2491
330 H F 0.0000
331 K F -2.2093
332 P F 0.0000
333 G F -1.2648
334 G F -1.4922
335 G F -1.2685
336 Q F -1.5666
337 M F 0.0000
338 E F -1.4962
339 V F 0.0000
340 K F -1.4350
341 S F -1.5287
342 E F -2.3481
343 K F -2.4730
344 L F 0.0000
345 D F -2.8260
346 F F 0.0000
347 K F -4.0057
348 D F -3.5882
349 R F -3.3696
350 V F 0.0000
351 Q F -2.0852
352 S F -1.2284
353 K F -1.4865
354 I F 0.0000
355 G F 0.0000
356 S F 0.0000
357 L F 0.0000
358 D F -1.5279
359 N F 0.0000
360 I F 0.3974
361 T F 0.0000
362 H F -0.2188
363 V F 0.0000
364 P F 0.0000
365 G F -0.8764
366 G F 0.0000
367 G F -0.8733
368 N F 0.0000
369 K F -1.5977
370 K F -0.8641
371 I F 0.4428
372 E F -0.6120
373 T F -0.5879
374 H F 0.0000
375 K F -1.5397
376 L F 0.0000
377 T F -0.3724
307 Q J -0.1711
308 I J 2.3379
309 V J 2.5208
310 Y J 1.9750
311 K J -0.2233
312 P J 0.2125
313 V J 1.2477
314 D J 0.2517
315 L J 1.0514
316 S J 0.0235
317 K J -0.8500
318 V J 0.8130
319 T J -0.2609
320 S J -0.7556
321 K J -2.0620
322 C J -0.5525
323 G J -0.4793
324 S J 0.1111
325 L J 0.5185
326 G J -0.5452
327 N J -1.4603
328 I J -0.7145
329 H J -1.8651
330 H J -1.7714
331 K J -2.8599
332 P J -1.6253
333 G J -1.6572
334 G J -1.9192
335 G J -1.6774
336 Q J -2.1642
337 M J -1.2482
338 E J -2.3369
339 V J -1.2514
340 K J -2.4708
341 S J -1.9949
342 E J -3.0288
343 K J -3.0839
344 L J -1.8794
345 D J -2.7773
346 F J -2.1598
347 K J -3.6361
348 D J -3.9469
349 R J -3.8004
350 V J -2.4109
351 Q J -2.6471
352 S J -1.7359
353 K J -2.2556
354 I J -0.9083
355 G J -0.9893
356 S J -1.0262
357 L J -1.2248
358 D J -1.7877
359 N J -0.9890
360 I J 0.2755
361 T J 0.0000
362 H J -0.6334
363 V J -0.2114
364 P J -0.4897
365 G J -0.9072
366 G J -1.2899
367 G J -1.2268
368 N J -1.3063
369 K J -1.9441
370 K J -0.6142
371 I J 1.0727
372 E J 0.0124
373 T J -0.5973
374 H J -1.3279
375 K J -1.9782
376 L J -0.6972
377 T J -0.4431
307 Q G -1.3290
308 I G 0.0456
309 V G 0.1957
310 Y G 0.0000
311 K G -0.9972
312 P G -1.0436
313 V G -0.2854
314 D G -0.1388
315 L G 0.1438
316 S G 0.0000
317 K G -1.4921
318 V G 0.0000
319 T G -1.3296
320 S G 0.0000
321 K G -2.2871
322 C G -1.3397
323 G G -0.7779
324 S G -0.0170
325 L G 0.0918
326 G G -0.3641
327 N G -0.9190
328 I G 0.0000
329 H G -1.3590
330 H G 0.0000
331 K G -2.3171
332 P G 0.0000
333 G G -1.3967
334 G G -1.7889
335 G G -1.4352
336 Q G -2.0297
337 M G 0.0000
338 E G -1.7815
339 V G 0.0000
340 K G -1.8364
341 S G -1.9069
342 E G -2.7154
343 K G -2.7618
344 L G 0.0000
345 D G -2.8699
346 F G 0.0000
347 K G -4.4473
348 D G -4.0395
349 R G -4.1719
350 V G 0.0000
351 Q G -2.3000
352 S G -1.1206
353 K G -1.2113
354 I G 0.0000
355 G G 0.0000
356 S G 0.0000
357 L G 0.0000
358 D G -1.4443
359 N G 0.0000
360 I G 0.0966
361 T G 0.0000
362 H G 0.2804
363 V G 0.2883
364 P G 0.0000
365 G G -0.8684
366 G G -1.5217
367 G G -1.4981
368 N G 0.0000
369 K G -2.3898
370 K G -1.6929
371 I G -0.4064
372 E G -0.8193
373 T G -1.1530
374 H G -1.6997
375 K G -1.5594
376 L G -0.2401
377 T G -0.1503
307 Q I -0.7886
308 I I 0.8149
309 V I 0.9716
310 Y I 0.8063
311 K I -0.5809
312 P I -0.4640
313 V I 0.1966
314 D I 0.3146
315 L I 0.5445
316 S I -0.0608
317 K I -0.7385
318 V I -0.4804
319 T I -0.8332
320 S I -1.0937
321 K I -2.2116
322 C I -1.0547
323 G I -0.5742
324 S I 0.0534
325 L I -0.0042
326 G I -0.5605
327 N I -1.1402
328 I I 0.0000
329 H I -1.5940
330 H I 0.0000
331 K I -2.5166
332 P I 0.0000
333 G I -1.7343
334 G I -1.8243
335 G I -1.4164
336 Q I -1.8330
337 M I 0.0000
338 E I -1.7261
339 V I -1.1156
340 K I -1.9031
341 S I -2.0220
342 E I -2.8016
343 K I -3.1526
344 L I -2.3711
345 D I -2.7602
346 F I 0.0000
347 K I -4.0427
348 D I -3.6998
349 R I -3.6042
350 V I 0.0000
351 Q I -2.5473
352 S I -1.6759
353 K I -1.7538
354 I I 0.0000
355 G I 0.0000
356 S I 0.0000
357 L I 0.0000
358 D I -1.4699
359 N I 0.0000
360 I I 0.1551
361 T I 0.0000
362 H I -0.2216
363 V I 0.0000
364 P I 0.0000
365 G I -0.8343
366 G I 0.0000
367 G I -0.9877
368 N I 0.0000
369 K I -1.5489
370 K I 0.0000
371 I I 0.3220
372 E I -0.0211
373 T I -0.6364
374 H I 0.0000
375 K I -1.5560
376 L I -0.7291
377 T I -0.5428
307 Q H -0.9062
308 I H 0.8956
309 V H 0.6555
310 Y H 0.0880
311 K H -1.4120
312 P H -1.1294
313 V H -0.3244
314 D H -0.8816
315 L H 0.5375
316 S H -0.4718
317 K H -1.4830
318 V H -1.1685
319 T H -1.0384
320 S H -1.1595
321 K H -2.2833
322 C H -1.0718
323 G H -0.7648
324 S H 0.0563
325 L H 0.4427
326 G H -0.5720
327 N H -1.2558
328 I H -0.2327
329 H H -1.4333
330 H H -1.3736
331 K H -2.6154
332 P H -1.6093
333 G H -1.5661
334 G H -1.6913
335 G H -1.7154
336 Q H -2.2561
337 M H -1.3149
338 E H -2.1355
339 V H -0.7072
340 K H -2.1998
341 S H -2.0890
342 E H -3.1583
343 K H -2.9289
344 L H -1.6569
345 D H -2.0385
346 F H -1.8553
347 K H -3.4671
348 D H -3.9877
349 R H -3.5070
350 V H -1.4084
351 Q H -1.8680
352 S H -0.9174
353 K H -1.0994
354 I H 0.4193
355 G H -0.2247
356 S H -0.6925
357 L H -0.9265
358 D H -1.9089
359 N H -1.2646
360 I H 0.4174
361 T H 0.3319
362 H H 0.3038
363 V H 1.2238
364 P H 0.0334
365 G H -0.7092
366 G H -1.2425
367 G H -1.7281
368 N H -3.2315
369 K H -3.2259
370 K H -2.5189
371 I H -0.1390
372 E H -1.5565
373 T H -1.5461
374 H H -2.2850
375 K H -1.7858
376 L H 0.3013
377 T H 0.1674
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Laboratory of Theory of Biopolymers 2018