Project name: A?16-22_8

Chain sequence(s)	A: KLVFFAE; C: KLVFFAE; B: KLVFFAE; E: KLVFFAE; D: KLVFFAE; G: KLVFFAE; F: KLVFFAE; H: KLVFFAE
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                          (00:01:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:40)

• Minimal score value: -2.3611
• Maximal score value: 1.6242
• Average score: -0.4469
• Total score value: -25.024

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	-1.5619
2	L	A	-0.3316
3	V	A	0.3711
4	F	A	0.0000
5	F	A	0.0453
6	A	A	-1.1578
7	E	A	-2.1394
1	K	B	-1.4459
2	L	B	-0.2840
3	V	B	0.4435
4	F	B	0.0000
5	F	B	-0.3159
6	A	B	-1.4196
7	E	B	-2.3611
1	K	C	-1.9634
2	L	C	0.0000
3	V	C	0.5825
4	F	C	0.0000
5	F	C	1.2158
6	A	C	-0.5413
7	E	C	-1.8238
1	K	D	-1.5609
2	L	D	0.0000
3	V	D	0.8648
4	F	D	0.0000
5	F	D	0.9539
6	A	D	-0.6829
7	E	D	-1.9004
1	K	E	-1.3541
2	L	E	0.0330
3	V	E	0.8041
4	F	E	0.0000
5	F	E	0.7226
6	A	E	-0.6286
7	E	E	-1.8671
1	K	F	-1.5986
2	L	F	0.1073
3	V	F	1.6242
4	F	F	0.0000
5	F	F	0.7799
6	A	F	-0.6983
7	E	F	-2.0321
1	K	G	-1.3705
2	L	G	0.2321
3	V	G	1.0988
4	F	G	0.0000
5	F	G	0.1596
6	A	G	-0.9903
7	E	G	-2.2568
1	K	H	-1.7226
2	L	H	0.0000
3	V	H	0.5496
4	F	H	0.0000
5	F	H	0.8797
6	A	H	-0.6709
7	E	H	-1.8120