Project name: A?16-22_12

Chain sequence(s)	A: KLVFFAE; C: KLVFFAE; B: KLVFFAE; E: KLVFFAE; D: KLVFFAE; G: KLVFFAE; F: KLVFFAE; I: KLVFFAE; H: KLVFFAE; K: KLVFFAE; J: KLVFFAE; L: KLVFFAE
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:02:47)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:49)

• Minimal score value: -2.6114
• Maximal score value: 1.2949
• Average score: -0.8215
• Total score value: -69.0074

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	K	A	-2.3977
2	L	A	-0.8235
3	V	A	0.0000
4	F	A	0.0000
5	F	A	-0.3303
6	A	A	-1.5387
7	E	A	-2.4802
1	K	B	-1.8223
2	L	B	0.0000
3	V	B	0.5023
4	F	B	0.0000
5	F	B	0.3283
6	A	B	-1.5364
7	E	B	-2.3362
1	K	C	-1.9995
2	L	C	0.0000
3	V	C	0.9778
4	F	C	0.0000
5	F	C	1.2949
6	A	C	-0.6614
7	E	C	-1.8219
1	K	D	-2.0517
2	L	D	-0.4576
3	V	D	0.6476
4	F	D	0.0000
5	F	D	0.2359
6	A	D	-1.1285
7	E	D	-2.2612
1	K	E	-2.2061
2	L	E	-1.0374
3	V	E	0.0000
4	F	E	0.0000
5	F	E	-0.1403
6	A	E	0.0000
7	E	E	-2.5063
1	K	F	-2.3268
2	L	F	-0.8593
3	V	F	0.0000
4	F	F	0.0000
5	F	F	-0.6412
6	A	F	-1.5879
7	E	F	-2.6114
1	K	G	-2.2194
2	L	G	-0.9839
3	V	G	0.0000
4	F	G	0.0000
5	F	G	-0.1945
6	A	G	-1.4772
7	E	G	-2.4304
1	K	H	-1.7657
2	L	H	0.0000
3	V	H	0.7661
4	F	H	0.0000
5	F	H	0.4576
6	A	H	-1.4026
7	E	H	-2.2682
1	K	I	-1.8112
2	L	I	0.0000
3	V	I	0.6802
4	F	I	0.0000
5	F	I	0.8883
6	A	I	-0.8731
7	E	I	-1.9893
1	K	J	-2.2374
2	L	J	-0.7166
3	V	J	0.7778
4	F	J	0.0000
5	F	J	0.0252
6	A	J	-1.2359
7	E	J	-2.2902
1	K	K	-2.3239
2	L	K	-0.8559
3	V	K	0.0246
4	F	K	0.0000
5	F	K	-0.2200
6	A	K	-1.7198
7	E	K	-2.5635
1	K	L	-2.3515
2	L	L	-0.8697
3	V	L	-0.0592
4	F	L	0.0000
5	F	L	-0.2189
6	A	L	-1.4548
7	E	L	-2.5174