Project name: b9f91a660b822e6

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]                                                (00:00:01)
[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                                          (00:28:23)
[INFO]       Main:     Simulation completed successfully.                                          (00:28:28)

• Minimal score value: -2.8969
• Maximal score value: 2.2892
• Average score: -0.49
• Total score value: -88.1984

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	-0.0360
2	K	A	-2.2591
3	F	A	0.0000
4	K	A	-2.3074
5	G	A	0.0000
6	H	A	-1.1261
7	F	A	0.0000
8	K	A	-0.5633
9	F	A	0.8274
1	F	B	0.2677
2	K	B	-2.0995
3	F	B	0.0000
4	K	B	-2.4570
5	G	B	0.0000
6	H	B	-1.3221
7	F	B	0.0000
8	K	B	-0.3797
9	F	B	1.3075
1	F	C	1.2056
2	K	C	-1.2988
3	F	C	-1.1796
4	K	C	-2.2925
5	G	C	-0.9418
6	H	C	-1.2804
7	F	C	-0.1895
8	K	C	-0.5359
9	F	C	1.6108
1	F	D	1.5315
2	K	D	-0.5919
3	F	D	-0.0276
4	K	D	-1.7578
5	G	D	-0.9090
6	H	D	-1.1046
7	F	D	0.3771
8	K	D	-0.0811
9	F	D	2.0195
1	F	E	0.7674
2	K	E	-1.0735
3	F	E	0.0000
4	K	E	-1.7772
5	G	E	0.0000
6	H	E	-1.1626
7	F	E	0.0000
8	K	E	0.0513
9	F	E	2.2892
1	F	F	0.4867
2	K	F	-1.4290
3	F	F	0.0000
4	K	F	-1.9699
5	G	F	0.0000
6	H	F	-1.0934
7	F	F	0.0000
8	K	F	-0.3150
9	F	F	1.5496
1	F	G	1.0962
2	K	G	-1.2513
3	F	G	0.0000
4	K	G	-1.9804
5	G	G	-0.9985
6	H	G	-1.1515
7	F	G	0.0000
8	K	G	-0.3426
9	F	G	2.0872
1	F	H	0.5543
2	K	H	-1.7175
3	F	H	0.0000
4	K	H	-1.9592
5	G	H	0.0000
6	H	H	-1.0135
7	F	H	0.0000
8	K	H	-0.0708
9	F	H	2.2625
1	F	I	0.0180
2	K	I	-1.6058
3	F	I	0.0000
4	K	I	-1.8801
5	G	I	0.0000
6	H	I	-1.5803
7	F	I	0.0000
8	K	I	-0.8865
9	F	I	1.4613
1	F	J	-0.4470
2	K	J	-2.0830
3	F	J	0.0000
4	K	J	-2.3194
5	G	J	0.0000
6	H	J	-2.0609
7	F	J	0.0000
8	K	J	-1.6519
9	F	J	0.2992
1	F	K	-0.3953
2	K	K	-1.9881
3	F	K	0.0000
4	K	K	-2.4974
5	G	K	0.0000
6	H	K	-2.1862
7	F	K	0.0000
8	K	K	-0.7827
9	F	K	1.7684
1	F	L	-0.1166
2	K	L	-2.4455
3	F	L	0.0000
4	K	L	-2.8969
5	G	L	0.0000
6	H	L	-1.6258
7	F	L	0.0000
8	K	L	-0.5020
9	F	L	1.3493
1	F	M	0.9495
2	K	M	-1.7955
3	F	M	-1.5845
4	K	M	-2.8761
5	G	M	0.0000
6	H	M	-1.7634
7	F	M	0.0000
8	K	M	-0.9410
9	F	M	1.4411
1	F	N	1.1179
2	K	N	-1.2489
3	F	N	-0.8424
4	K	N	-2.5653
5	G	N	-1.2178
6	H	N	-2.0240
7	F	N	-0.3964
8	K	N	-0.7464
9	F	N	1.5368
1	F	O	-0.0018
2	K	O	-2.2333
3	F	O	0.0000
4	K	O	-2.4596
5	G	O	-1.0542
6	H	O	-1.1904
7	F	O	0.0000
8	K	O	-0.5745
9	F	O	1.1304
1	F	P	-0.0369
2	K	P	-1.8813
3	F	P	0.0000
4	K	P	-2.0490
5	G	P	0.0000
6	H	P	-1.0863
7	F	P	0.0000
8	K	P	-0.5749
9	F	P	0.9820
1	F	Q	-0.0306
2	K	Q	-1.8875
3	F	Q	0.0000
4	K	Q	-1.9571
5	G	Q	0.0000
6	H	Q	-1.0482
7	F	Q	0.0000
8	K	Q	-0.5708
9	F	Q	0.8017
1	F	R	-0.0632
2	K	R	-1.6880
3	F	R	0.0000
4	K	R	-1.7723
5	G	R	0.0000
6	H	R	-1.1572
7	F	R	0.0000
8	K	R	-0.2002
9	F	R	1.4174
1	F	S	-0.0552
2	K	S	-1.7803
3	F	S	0.0000
4	K	S	-2.1217
5	G	S	0.0000
6	H	S	-1.0700
7	F	S	0.0000
8	K	S	-0.5746
9	F	S	0.6054
1	F	T	0.4271
2	K	T	-1.1918
3	F	T	0.0000
4	K	T	-2.0390
5	G	T	0.0000
6	H	T	-1.1283
7	F	T	0.0000
8	K	T	-0.0279
9	F	T	1.7104