Project name: FYGHKYF20

Chain sequence(s)	A: FYGHKYF; C: FYGHKYF; B: FYGHKYF; E: FYGHKYF; D: FYGHKYF; G: FYGHKYF; F: FYGHKYF; I: FYGHKYF; H: FYGHKYF; K: FYGHKYF; J: FYGHKYF; M: FYGHKYF; L: FYGHKYF; O: FYGHKYF; N: FYGHKYF; Q: FYGHKYF; P: FYGHKYF; S: FYGHKYF; R: FYGHKYF; T: FYGHKYF
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                                          (00:06:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:40)

• Minimal score value: -1.3149
• Maximal score value: 3.9989
• Average score: 1.601
• Total score value: 224.1439

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	3.3189
2	Y	A	2.5008
3	G	A	0.0000
4	H	A	3.3457
5	K	A	2.8972
6	Y	A	3.2966
7	F	A	2.8861
1	F	B	3.3792
2	Y	B	2.5455
3	G	B	0.0000
4	H	B	1.3496
5	K	B	2.0477
6	Y	B	2.8787
7	F	B	3.5429
1	F	C	3.9989
2	Y	C	3.0631
3	G	C	0.0000
4	H	C	1.4969
5	K	C	1.9837
6	Y	C	2.7899
7	F	C	3.4138
1	F	D	3.7354
2	Y	D	3.8287
3	G	D	0.0000
4	H	D	1.9993
5	K	D	2.0161
6	Y	D	2.4405
7	F	D	3.4701
1	F	E	2.9555
2	Y	E	2.4402
3	G	E	1.6249
4	H	E	0.4199
5	K	E	1.1778
6	Y	E	1.6563
7	F	E	2.8686
1	F	F	2.2913
2	Y	F	1.7553
3	G	F	0.2469
4	H	F	0.0171
5	K	F	-0.5432
6	Y	F	1.7550
7	F	F	2.9333
1	F	G	0.0000
2	Y	G	1.3664
3	G	G	-1.2986
4	H	G	0.0989
5	K	G	-0.6502
6	Y	G	1.7127
7	F	G	2.7745
1	F	H	0.8783
2	Y	H	1.1498
3	G	H	0.0000
4	H	H	-0.3552
5	K	H	-1.3149
6	Y	H	0.0000
7	F	H	2.3417
1	F	I	2.7996
2	Y	I	1.8551
3	G	I	0.6822
4	H	I	-0.2307
5	K	I	-0.6690
6	Y	I	1.3228
7	F	I	2.1853
1	F	J	1.9611
2	Y	J	1.8380
3	G	J	1.3115
4	H	J	1.1494
5	K	J	0.3617
6	Y	J	2.0238
7	F	J	2.2367
1	F	K	2.6159
2	Y	K	2.8982
3	G	K	0.0000
4	H	K	1.6960
5	K	K	0.5401
6	Y	K	1.8973
7	F	K	2.0248
1	F	L	2.9775
2	Y	L	3.5484
3	G	L	0.0000
4	H	L	2.7124
5	K	L	1.4859
6	Y	L	2.2612
7	F	L	2.2970
1	F	M	2.8147
2	Y	M	1.8759
3	G	M	0.4657
4	H	M	0.4034
5	K	M	-0.4302
6	Y	M	1.3691
7	F	M	2.0425
1	F	N	3.0381
2	Y	N	1.5462
3	G	N	0.2337
4	H	N	0.3249
5	K	N	-0.3060
6	Y	N	1.9336
7	F	N	2.8326
1	F	O	3.3606
2	Y	O	2.6882
3	G	O	1.2364
4	H	O	0.0461
5	K	O	-0.3965
6	Y	O	1.5779
7	F	O	2.1233
1	F	P	2.8751
2	Y	P	2.0489
3	G	P	0.5112
4	H	P	0.1090
5	K	P	1.2677
6	Y	P	2.5356
7	F	P	2.3846
1	F	Q	2.7479
2	Y	Q	2.7994
3	G	Q	1.8641
4	H	Q	1.3152
5	K	Q	2.5013
6	Y	Q	2.6728
7	F	Q	2.8556
1	F	R	2.5012
2	Y	R	1.6692
3	G	R	1.0040
4	H	R	0.1331
5	K	R	-0.3520
6	Y	R	1.3246
7	F	R	2.4344
1	F	S	1.8528
2	Y	S	1.6461
3	G	S	0.1090
4	H	S	-0.2155
5	K	S	-0.1403
6	Y	S	1.4359
7	F	S	2.5530
1	F	T	2.9577
2	Y	T	1.5525
3	G	T	0.2305
4	H	T	0.2820
5	K	T	-0.2641
6	Y	T	1.5916
7	F	T	2.2598