Project name: CM254-286 LPETIC

Chain sequence(s)	A: LPETIC; C: LPETIC; B: LPETIC; E: LPETIC; D: LPETIC; G: LPETIC; F: LPETIC; I: LPETIC; H: LPETIC; J: LPETIC
Selected Chain(s)	A,C,B,E,D,G,F,I,H,J
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                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -1.1811
• Maximal score value: 2.98
• Average score: 0.9077
• Total score value: 54.4629

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	L	C	2.1869
2	P	C	1.1590
3	E	C	0.3238
4	T	C	0.1013
5	I	C	0.5395
6	C	C	1.5303
1	L	D	2.0286
2	P	D	0.0000
3	E	D	-0.3111
4	T	D	0.0000
5	I	D	1.9810
6	C	D	2.4327
1	L	B	2.0334
2	P	B	0.6767
3	E	B	0.1378
4	T	B	0.3190
5	I	B	0.9217
6	C	B	1.5393
1	L	A	1.4097
2	P	A	-0.1106
3	E	A	-1.0695
4	T	A	0.5882
5	I	A	2.1987
6	C	A	2.1486
1	L	F	2.9800
2	P	F	1.2470
3	E	F	0.0989
4	T	F	0.3208
5	I	F	0.0000
6	C	F	1.8438
1	L	E	1.9074
2	P	E	0.0000
3	E	E	-0.6044
4	T	E	0.7320
5	I	E	2.1785
6	C	E	2.1595
1	L	H	2.2555
2	P	H	0.0000
3	E	H	-0.8776
4	T	H	0.0385
5	I	H	1.6668
6	C	H	2.1180
1	L	G	2.2916
2	P	G	1.2429
3	E	G	0.4169
4	T	G	0.0177
5	I	G	0.0000
6	C	G	1.4778
1	L	J	1.8286
2	P	J	-0.0246
3	E	J	-1.1811
4	T	J	-0.1902
5	I	J	1.1947
6	C	J	1.6461
1	L	I	1.3428
2	P	I	-0.1817
3	E	I	-1.0864
4	T	I	0.5523
5	I	I	2.3077
6	C	I	1.9781