Project name: FEFEFKFK_20

Chain sequence(s)	A: FEFEFKFK; C: FEFEFKFK; B: FEFEFKFK; E: FEFEFKFK; D: FEFEFKFK; G: FEFEFKFK; F: FEFEFKFK; I: FEFEFKFK; H: FEFEFKFK; K: FEFEFKFK; J: FEFEFKFK; M: FEFEFKFK; L: FEFEFKFK; O: FEFEFKFK; N: FEFEFKFK; Q: FEFEFKFK; P: FEFEFKFK; S: FEFEFKFK; R: FEFEFKFK; U: FEFEFKFK; T: FEFEFKFK
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,Q,P,S,R,U,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                                          (00:19:30)
[INFO]       Main:     Simulation completed successfully.                                          (00:19:34)

• Minimal score value: -3.2456
• Maximal score value: 1.7191
• Average score: -1.1113
• Total score value: -186.6935

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	0.5976
2	E	A	-1.9347
3	F	A	-1.5379
4	E	A	-2.8661
5	F	A	-1.3750
6	K	A	-2.3917
7	F	A	-1.0533
8	K	A	-1.9583
1	F	B	0.9201
2	E	B	-1.4682
3	F	B	0.0000
4	E	B	-2.4286
5	F	B	0.0000
6	K	B	-2.5548
7	F	B	-1.3553
8	K	B	-1.5795
1	F	C	1.1669
2	E	C	-0.7631
3	F	C	0.0000
4	E	C	-1.7876
5	F	C	0.0000
6	K	C	-1.8572
7	F	C	0.0000
8	K	C	-1.6890
1	F	D	0.4572
2	E	D	-1.1501
3	F	D	0.0000
4	E	D	-1.4549
5	F	D	-0.5592
6	K	D	-1.2521
7	F	D	-0.2153
8	K	D	-0.4628
1	F	E	1.7191
2	E	E	-0.0867
3	F	E	-0.2399
4	E	E	-0.8376
5	F	E	-0.2656
6	K	E	-1.0717
7	F	E	-0.2712
8	K	E	-1.2398
1	F	F	1.0032
2	E	F	-1.1295
3	F	F	-0.7987
4	E	F	-1.4092
5	F	F	-0.5587
6	K	F	-1.0531
7	F	F	-0.0148
8	K	F	-0.1893
1	F	G	1.3036
2	E	G	-0.9508
3	F	G	-0.5698
4	E	G	-1.8198
5	F	G	-1.0507
6	K	G	-2.4137
7	F	G	-1.2341
8	K	G	-1.9706
1	F	H	0.8614
2	E	H	-2.0045
3	F	H	0.0000
4	E	H	-3.0070
5	F	H	0.0000
6	K	H	-2.5342
7	F	H	-1.1641
8	K	H	-1.6868
1	F	I	0.8910
2	E	I	-1.8507
3	F	I	-0.9679
4	E	I	-2.7651
5	F	I	-1.1472
6	K	I	-2.5968
7	F	I	-0.9571
8	K	I	-1.9013
1	F	J	0.9477
2	E	J	-1.7123
3	F	J	0.0000
4	E	J	-2.7055
5	F	J	0.0000
6	K	J	-2.5362
7	F	J	-1.6546
8	K	J	-2.4305
1	F	K	-0.4770
2	E	K	-2.1565
3	F	K	0.0000
4	E	K	-2.3808
5	F	K	0.0000
6	K	K	-2.3905
7	F	K	0.0000
8	K	K	-1.8323
1	F	L	0.4449
2	E	L	-1.4579
3	F	L	0.0000
4	E	L	-2.6000
5	F	L	0.0000
6	K	L	-1.8478
7	F	L	0.0000
8	K	L	-1.6339
1	F	M	0.8658
2	E	M	-0.9447
3	F	M	-0.9554
4	E	M	-2.0829
5	F	M	0.0000
6	K	M	-2.4798
7	F	M	-2.0015
8	K	M	-2.6614
1	F	N	-0.5831
2	E	N	-2.4865
3	F	N	-2.1240
4	E	N	-2.8989
5	F	N	0.0000
6	K	N	-1.6363
7	F	N	-0.8594
8	K	N	-1.3210
1	F	O	0.5295
2	E	O	-1.4133
3	F	O	-1.4530
4	E	O	-2.3796
5	F	O	-2.1949
6	K	O	-2.9061
7	F	O	-1.8876
8	K	O	-1.9671
1	F	P	0.2731
2	E	P	-2.0873
3	F	P	-1.8425
4	E	P	-2.8172
5	F	P	-1.7559
6	K	P	-2.0595
7	F	P	-1.0289
8	K	P	-1.2466
1	F	Q	0.3549
2	E	Q	-2.2740
3	F	Q	0.0000
4	E	Q	-2.7938
5	F	Q	-1.9505
6	K	Q	-2.4126
7	F	Q	0.0000
8	K	Q	-1.6246
1	F	R	0.5192
2	E	R	-1.7307
3	F	R	-1.9398
4	E	R	-2.8550
5	F	R	-2.0284
6	K	R	-2.6869
7	F	R	0.0000
8	K	R	-1.8235
1	F	S	1.0520
2	E	S	-1.4293
3	F	S	0.0000
4	E	S	-3.0995
5	F	S	0.0000
6	K	S	-3.2456
7	F	S	-2.0210
8	K	S	-2.3916
1	F	T	0.7572
2	E	T	-1.9164
3	F	T	0.0000
4	E	T	-2.9253
5	F	T	0.0000
6	K	T	-2.6376
7	F	T	-0.9948
8	K	T	-1.6334
1	F	U	1.1804
2	E	U	-0.4190
3	F	U	0.4913
4	E	U	-0.9144
5	F	U	-0.1728
6	K	U	-1.0488
7	F	U	0.2889
8	K	U	-1.0063