Project name: A?42

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA; B: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
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                                          (00:00:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:50)

• Minimal score value: -2.9199
• Maximal score value: 2.8389
• Average score: -0.5551
• Total score value: -46.6282

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	D	A	-2.2508
2	A	A	-1.7130
3	E	A	-2.5900
4	F	A	-1.6730
5	R	A	-2.9199
6	H	A	-2.6902
7	D	A	-2.8431
8	S	A	-1.7761
9	G	A	0.0000
10	Y	A	-0.6784
11	E	A	-0.8117
12	V	A	-0.3693
13	H	A	-0.9640
14	H	A	-1.5647
15	Q	A	-2.0451
16	K	A	-1.3299
17	L	A	0.0000
18	V	A	0.2231
19	F	A	0.0000
20	F	A	-1.2185
21	A	A	-1.5406
22	E	A	-2.4851
23	D	A	-2.0816
24	V	A	0.0000
25	G	A	-1.1379
26	S	A	-1.3775
27	N	A	-1.3816
28	K	A	-0.7309
29	G	A	-0.4752
30	A	A	-0.3177
31	I	A	0.0000
32	I	A	0.8384
33	G	A	0.4587
34	L	A	1.0376
35	M	A	0.0000
36	V	A	1.7212
37	G	A	0.8980
38	G	A	1.4477
39	V	A	1.9079
40	V	A	2.5964
41	I	A	1.7186
42	A	A	1.3689
1	D	B	-2.2014
2	A	B	-1.6230
3	E	B	-2.3596
4	F	B	-1.1918
5	R	B	-2.6029
6	H	B	-2.4431
7	D	B	-2.7369
8	S	B	-1.7066
9	G	B	0.0000
10	Y	B	-0.8129
11	E	B	-0.6432
12	V	B	-0.2948
13	H	B	-1.0259
14	H	B	-1.6397
15	Q	B	-2.2494
16	K	B	-1.5386
17	L	B	0.0000
18	V	B	0.0000
19	F	B	0.0000
20	F	B	-1.0762
21	A	B	-1.6067
22	E	B	-2.4096
23	D	B	-2.1516
24	V	B	0.0000
25	G	B	-1.0110
26	S	B	-1.3725
27	N	B	-1.3087
28	K	B	-0.7146
29	G	B	-0.5783
30	A	B	-0.2363
31	I	B	0.0000
32	I	B	0.9077
33	G	B	0.6893
34	L	B	1.4505
35	M	B	0.0000
36	V	B	2.1409
37	G	B	1.0836
38	G	B	1.5957
39	V	B	2.8389
40	V	B	2.7857
41	I	B	1.2130
42	A	B	0.9511