Project name: FKFKGHFKF20

Chain sequence(s)	A: FKFKGHFKF; C: FKFKGHFKF; B: FKFKGHFKF; E: FKFKGHFKF; D: FKFKGHFKF; G: FKFKGHFKF; F: FKFKGHFKF; I: FKFKGHFKF; H: FKFKGHFKF; K: FKFKGHFKF; J: FKFKGHFKF; M: FKFKGHFKF; L: FKFKGHFKF; O: FKFKGHFKF; N: FKFKGHFKF; Q: FKFKGHFKF; P: FKFKGHFKF; S: FKFKGHFKF; R: FKFKGHFKF; T: FKFKGHFKF
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,T
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:00)
[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                                          (00:07:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:07:32)

• Minimal score value: -2.3821
• Maximal score value: 2.0851
• Average score: -0.169
• Total score value: -30.4151

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
1	F	A	1.1748
2	K	A	-1.2022
3	F	A	-1.1919
4	K	A	-1.9891
5	G	A	-2.0708
6	H	A	-1.6803
7	F	A	-0.4964
8	K	A	-1.0547
9	F	A	0.6785
1	F	B	1.2128
2	K	B	-0.2527
3	F	B	-0.2538
4	K	B	-1.3160
5	G	B	-1.6408
6	H	B	-1.5719
7	F	B	0.1547
8	K	B	-1.0988
9	F	B	1.2889
1	F	C	0.9526
2	K	C	-1.2212
3	F	C	-0.8143
4	K	C	-1.8817
5	G	C	-0.7536
6	H	C	-0.6205
7	F	C	0.6730
8	K	C	-0.8966
9	F	C	1.0598
1	F	D	0.0000
2	K	D	-0.9651
3	F	D	0.7870
4	K	D	-0.9108
5	G	D	-0.0995
6	H	D	-0.7060
7	F	D	0.9552
8	K	D	0.2006
9	F	D	1.6920
1	F	E	0.7408
2	K	E	-0.6026
3	F	E	0.5170
4	K	E	-1.2299
5	G	E	-0.9787
6	H	E	-0.6454
7	F	E	0.8489
8	K	E	-0.1486
9	F	E	1.9363
1	F	F	1.4681
2	K	F	-0.3581
3	F	F	0.5984
4	K	F	-1.2481
5	G	F	-1.0713
6	H	F	-0.7125
7	F	F	0.8490
8	K	F	-0.1467
9	F	F	2.0014
1	F	G	2.0672
2	K	G	0.6335
3	F	G	1.9836
4	K	G	0.0000
5	G	G	0.6105
6	H	G	0.3975
7	F	G	1.1783
8	K	G	1.1294
9	F	G	1.0672
1	F	H	1.6758
2	K	H	-0.1786
3	F	H	1.2165
4	K	H	-0.8681
5	G	H	-0.9017
6	H	H	-1.2486
7	F	H	-0.4368
8	K	H	-1.0557
9	F	H	1.1809
1	F	I	1.4326
2	K	I	-0.2565
3	F	I	-0.5416
4	K	I	-2.2399
5	G	I	0.0000
6	H	I	-2.2122
7	F	I	-0.8967
8	K	I	-1.5864
9	F	I	-0.5629
1	F	J	0.6601
2	K	J	-1.1377
3	F	J	-0.9106
4	K	J	-1.7435
5	G	J	-1.1742
6	H	J	-1.6369
7	F	J	-0.2591
8	K	J	-2.2993
9	F	J	0.0000
1	F	K	1.2590
2	K	K	0.0300
3	F	K	1.0988
4	K	K	-0.6888
5	G	K	-0.4297
6	H	K	-1.1506
7	F	K	-0.9051
8	K	K	-1.1502
9	F	K	0.5525
1	F	L	1.0979
2	K	L	0.0655
3	F	L	0.7178
4	K	L	-1.2357
5	G	L	-1.8549
6	H	L	-1.9882
7	F	L	-0.7427
8	K	L	-1.1476
9	F	L	1.1333
1	F	M	0.8532
2	K	M	-0.3285
3	F	M	0.7733
4	K	M	-1.5518
5	G	M	0.0000
6	H	M	-2.0857
7	F	M	0.0000
8	K	M	-2.3821
9	F	M	-0.9884
1	F	N	0.8161
2	K	N	-0.9772
3	F	N	-0.3080
4	K	N	-1.9150
5	G	N	-1.2720
6	H	N	-1.6679
7	F	N	-0.8750
8	K	N	-1.9407
9	F	N	-1.1972
1	F	O	1.3900
2	K	O	-0.3939
3	F	O	0.4236
4	K	O	-1.2194
5	G	O	-0.2047
6	H	O	-0.5964
7	F	O	0.2825
8	K	O	-1.0081
9	F	O	0.8888
1	F	P	-0.1476
2	K	P	-0.4881
3	F	P	1.1406
4	K	P	0.7626
5	G	P	0.8965
6	H	P	0.0000
7	F	P	2.0851
8	K	P	0.8153
9	F	P	1.2447
1	F	Q	0.8638
2	K	Q	-0.9018
3	F	Q	0.1593
4	K	Q	-1.4351
5	G	Q	0.0000
6	H	Q	-0.3299
7	F	Q	0.5698
8	K	Q	-0.2818
9	F	Q	1.2837
1	F	R	1.4354
2	K	R	0.0854
3	F	R	1.3061
4	K	R	-0.5904
5	G	R	0.0000
6	H	R	-0.5188
7	F	R	0.4307
8	K	R	-0.2199
9	F	R	0.9505
1	F	S	1.3250
2	K	S	-0.5417
3	F	S	0.3362
4	K	S	-1.4705
5	G	S	-1.3550
6	H	S	-1.1125
7	F	S	-0.0290
8	K	S	-0.6815
9	F	S	0.6844
1	F	T	1.0807
2	K	T	-0.3262
3	F	T	-0.1924
4	K	T	-1.1793
5	G	T	-0.5300
6	H	T	0.5781
7	F	T	1.4252
8	K	T	0.1686
9	F	T	2.0666