Project name: Tau

Chain sequence(s)	A: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF; I: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF; C: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF; E: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF; G: VQIVYKPVDLSKVTSKCGSLGNIHHKPGGGQVEVKSEKLDFKDRVQSKIGSLDNITHVPGGGNKKIETHKLTF
Selected Chain(s)	A,C,E,G,I
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:03)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:03)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:03)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:03)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:04)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:11:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:11:26)

• Minimal score value: -4.3977
• Maximal score value: 2.6036
• Average score: -0.8447
• Total score value: -308.3113

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
306	V	A	1.8425
307	Q	A	0.5037
308	I	A	1.4890
309	V	A	1.3235
310	Y	A	0.4264
311	K	A	-1.1374
312	P	A	-0.2614
313	V	A	0.8865
314	D	A	-0.2020
315	L	A	0.8642
316	S	A	-0.6390
317	K	A	-1.5146
318	V	A	-1.0782
319	T	A	-1.2839
320	S	A	-1.4970
321	K	A	-2.2988
322	C	A	-1.0914
323	G	A	-1.0004
324	S	A	-0.6242
325	L	A	-0.0594
326	G	A	-0.8330
327	N	A	-1.6865
328	I	A	-0.7904
329	H	A	-1.7461
330	H	A	-1.5875
331	K	A	-2.7031
332	P	A	-1.7109
333	G	A	-1.4697
334	G	A	-1.4108
335	G	A	-1.2518
336	Q	A	-2.1034
337	V	A	-1.4974
338	E	A	-2.7985
339	V	A	-1.8686
340	K	A	-3.1827
341	S	A	-2.6682
342	E	A	-3.6244
343	K	A	-3.5265
344	L	A	-1.9599
345	D	A	-2.7896
346	F	A	-2.7428
347	K	A	-3.7974
348	D	A	-3.4074
349	R	A	-3.7736
350	V	A	-2.4523
351	Q	A	-2.5950
352	S	A	-1.4901
353	K	A	-2.0807
354	I	A	-0.9793
355	G	A	-1.1940
356	S	A	-1.0411
357	L	A	-0.4484
358	D	A	-0.3982
359	N	A	-0.1954
360	I	A	1.1410
361	T	A	0.0000
362	H	A	-0.5721
363	V	A	-0.1157
364	P	A	-0.4151
365	G	A	0.0000
366	G	A	-1.0772
367	G	A	-1.1060
368	N	A	-1.5668
369	K	A	-2.2652
370	K	A	-1.3451
371	I	A	0.1132
372	E	A	-0.6398
373	T	A	-0.6980
374	H	A	-1.1898
375	K	A	-2.0286
376	L	A	-0.1477
377	T	A	0.8114
378	F	A	2.3876
306	V	C	2.2775
307	Q	C	0.9689
308	I	C	0.0000
309	V	C	0.3910
310	Y	C	0.0000
311	K	C	-0.8022
312	P	C	0.0000
313	V	C	0.5351
314	D	C	0.5749
315	L	C	0.7649
316	S	C	0.0000
317	K	C	-1.0381
318	V	C	0.0000
319	T	C	-1.4551
320	S	C	0.0000
321	K	C	-2.4221
322	C	C	0.0000
323	G	C	-1.0950
324	S	C	-0.6253
325	L	C	0.0000
326	G	C	-1.0905
327	N	C	-1.8069
328	I	C	0.0000
329	H	C	-1.7018
330	H	C	0.0000
331	K	C	-2.1979
332	P	C	0.0000
333	G	C	-1.3756
334	G	C	-1.1937
335	G	C	0.0000
336	Q	C	-1.8933
337	V	C	0.0000
338	E	C	-3.0066
339	V	C	0.0000
340	K	C	-3.1498
341	S	C	0.0000
342	E	C	-3.3452
343	K	C	-3.3834
344	L	C	0.0000
345	D	C	-2.9800
346	F	C	0.0000
347	K	C	-3.6866
348	D	C	-3.5567
349	R	C	-4.3977
350	V	C	0.0000
351	Q	C	-2.4913
352	S	C	0.0000
353	K	C	-1.4170
354	I	C	0.0000
355	G	C	0.0000
356	S	C	0.0000
357	L	C	0.0000
358	D	C	0.0000
359	N	C	0.0000
360	I	C	0.4741
361	T	C	0.0000
362	H	C	-0.3323
363	V	C	0.0000
364	P	C	0.0000
365	G	C	0.0000
366	G	C	0.0000
367	G	C	-0.9553
368	N	C	0.0000
369	K	C	-1.6995
370	K	C	0.0000
371	I	C	0.0012
372	E	C	0.0000
373	T	C	-0.5111
374	H	C	0.0000
375	K	C	-1.5611
376	L	C	0.0000
377	T	C	0.6651
378	F	C	1.8997
306	V	E	2.6036
307	Q	E	0.7910
308	I	E	0.0000
309	V	E	0.1466
310	Y	E	0.0000
311	K	E	-1.3175
312	P	E	0.0000
313	V	E	0.7060
314	D	E	0.0000
315	L	E	1.0786
316	S	E	0.0000
317	K	E	-1.3651
318	V	E	0.0000
319	T	E	0.0000
320	S	E	0.0000
321	K	E	-2.0033
322	C	E	0.0000
323	G	E	-1.0526
324	S	E	-0.6689
325	L	E	0.0000
326	G	E	-1.2430
327	N	E	-1.9761
328	I	E	0.0000
329	H	E	-1.2659
330	H	E	0.0000
331	K	E	-1.9835
332	P	E	0.0000
333	G	E	-1.0714
334	G	E	-0.9979
335	G	E	0.0000
336	Q	E	-1.6741
337	V	E	0.0000
338	E	E	-2.3200
339	V	E	0.0000
340	K	E	-2.6789
341	S	E	-2.6964
342	E	E	-3.0233
343	K	E	-2.9629
344	L	E	0.0000
345	D	E	-2.7691
346	F	E	0.0000
347	K	E	-3.4397
348	D	E	-3.2207
349	R	E	-3.5741
350	V	E	0.0000
351	Q	E	-2.1384
352	S	E	0.0000
353	K	E	-1.4366
354	I	E	0.0000
355	G	E	0.0000
356	S	E	0.0000
357	L	E	0.0000
358	D	E	-0.3658
359	N	E	0.0000
360	I	E	0.4529
361	T	E	0.0000
362	H	E	-0.4723
363	V	E	0.0000
364	P	E	0.0000
365	G	E	0.0000
366	G	E	0.0000
367	G	E	-0.6281
368	N	E	0.0000
369	K	E	-1.6011
370	K	E	0.0000
371	I	E	0.3121
372	E	E	0.0000
373	T	E	-0.3706
374	H	E	0.0000
375	K	E	-1.4910
376	L	E	0.0000
377	T	E	0.4847
378	F	E	1.7873
306	V	G	2.5641
307	Q	G	0.8986
308	I	G	0.0000
309	V	G	-0.2385
310	Y	G	0.0000
311	K	G	-1.1138
312	P	G	0.0000
313	V	G	0.6936
314	D	G	0.0000
315	L	G	0.7226
316	S	G	0.0000
317	K	G	-1.1838
318	V	G	0.0000
319	T	G	-1.1852
320	S	G	0.0000
321	K	G	-1.9535
322	C	G	0.0000
323	G	G	-1.0736
324	S	G	-0.6491
325	L	G	0.0000
326	G	G	-1.1888
327	N	G	-1.5478
328	I	G	0.0000
329	H	G	-1.3087
330	H	G	0.0000
331	K	G	-1.7809
332	P	G	0.0000
333	G	G	-1.2277
334	G	G	-1.0542
335	G	G	0.0000
336	Q	G	-1.8463
337	V	G	0.0000
338	E	G	-2.6893
339	V	G	0.0000
340	K	G	-2.9330
341	S	G	0.0000
342	E	G	-3.8600
343	K	G	-3.6050
344	L	G	0.0000
345	D	G	-2.5551
346	F	G	0.0000
347	K	G	-3.3844
348	D	G	-3.2598
349	R	G	-3.8472
350	V	G	0.0000
351	Q	G	-2.2912
352	S	G	0.0000
353	K	G	-1.2765
354	I	G	0.0000
355	G	G	0.0000
356	S	G	0.0000
357	L	G	0.0000
358	D	G	-0.6904
359	N	G	0.0000
360	I	G	-0.1800
361	T	G	0.0000
362	H	G	-0.4007
363	V	G	0.0000
364	P	G	0.0000
365	G	G	0.0000
366	G	G	0.0000
367	G	G	-0.9027
368	N	G	0.0000
369	K	G	-2.1095
370	K	G	0.0000
371	I	G	-0.5691
372	E	G	0.0000
373	T	G	-0.8136
374	H	G	0.0000
375	K	G	-1.7609
376	L	G	0.0000
377	T	G	0.7500
378	F	G	2.0403
306	V	I	2.0007
307	Q	I	0.2982
308	I	I	1.0892
309	V	I	-0.0038
310	Y	I	0.0469
311	K	I	-1.2404
312	P	I	-0.4083
313	V	I	1.0808
314	D	I	0.1651
315	L	I	0.8600
316	S	I	-0.6605
317	K	I	-1.3239
318	V	I	-1.2998
319	T	I	-1.1316
320	S	I	-1.3605
321	K	I	-2.1800
322	C	I	-1.2853
323	G	I	-1.1196
324	S	I	-0.8716
325	L	I	-0.4951
326	G	I	-1.2764
327	N	I	-1.6687
328	I	I	-0.7557
329	H	I	-1.1717
330	H	I	-1.1800
331	K	I	-2.3347
332	P	I	-1.6616
333	G	I	-1.3411
334	G	I	-1.4058
335	G	I	-1.1508
336	Q	I	-1.9135
337	V	I	-1.6034
338	E	I	-2.6174
339	V	I	-1.7523
340	K	I	-2.9341
341	S	I	-3.1625
342	E	I	-3.7844
343	K	I	-3.6655
344	L	I	-2.4892
345	D	I	-2.3990
346	F	I	-1.7145
347	K	I	-3.3272
348	D	I	-3.8671
349	R	I	-3.8140
350	V	I	-2.5105
351	Q	I	-2.4279
352	S	I	-1.4142
353	K	I	-1.7884
354	I	I	-0.3225
355	G	I	-0.8299
356	S	I	-0.7266
357	L	I	-0.2925
358	D	I	-1.5228
359	N	I	-1.2360
360	I	I	-0.1511
361	T	I	-0.2242
362	H	I	-0.7966
363	V	I	-0.1294
364	P	I	-0.4817
365	G	I	-0.8392
366	G	I	-0.8753
367	G	I	-1.0092
368	N	I	-2.0069
369	K	I	-2.8070
370	K	I	-2.5638
371	I	I	-1.0934
372	E	I	-1.3708
373	T	I	-1.0437
374	H	I	-1.5245
375	K	I	-2.0866
376	L	I	-0.0555
377	T	I	0.9155
378	F	I	2.4793