Project name: csgb-abeta (cluster3)

Chain sequence(s)	A: QGGSKLLAVVAQEGSSNRAK; B: LVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A,B
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:13)

• Minimal score value: -2.8293
• Maximal score value: 4.46
• Average score: 0.9678
• Total score value: 44.5177

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	Q	A	-1.5217
2	G	A	-1.4522
3	G	A	-1.6200
4	S	A	-0.4634
5	K	A	0.3179
6	L	A	2.1444
7	L	A	1.4537
8	A	A	1.8264
9	V	A	2.1438
10	V	A	3.0175
11	A	A	3.0930
12	Q	A	2.5272
13	E	A	2.3013
14	G	A	1.1278
15	S	A	0.3878
16	S	A	-1.0521
17	N	A	-2.3014
18	R	A	-2.8293
19	A	A	-1.9323
20	K	A	-2.0490
17	L	B	3.0619
18	V	B	3.7791
19	F	B	4.4600
20	F	B	3.3297
21	A	B	1.2485
22	E	B	-1.1713
23	D	B	-0.8139
24	V	B	0.6763
25	G	B	-0.1418
26	S	B	-0.8085
27	N	B	-1.8185
28	K	B	-1.5962
29	G	B	-0.0806
30	A	B	0.5178
31	I	B	2.2915
32	I	B	2.0408
33	G	B	1.6646
34	L	B	2.1907
35	M	B	2.8018
36	V	B	3.0596
37	G	B	1.9802
38	G	B	2.2714
39	V	B	2.9667
40	V	B	3.4309
41	I	B	2.8524
42	A	B	1.2052