Project name: AB42

Chain sequence(s)	A: DAEFRHDSGYEVHHQKLVFFAEDVGSNKGAIIGLMVGGVVIA
Selected Chain(s)	A
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 A 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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -2.7404
• Maximal score value: 4.241
• Average score: 0.5424
• Total score value: 22.7795

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	-2.1990
2	A	A	-1.2505
3	E	A	-1.7966
4	F	A	-0.0477
5	R	A	-2.2127
6	H	A	-2.7404
7	D	A	-2.7358
8	S	A	-1.5871
9	G	A	-0.7582
10	Y	A	0.3028
11	E	A	-0.8889
12	V	A	0.2716
13	H	A	-1.6110
14	H	A	-2.1012
15	Q	A	-1.7959
16	K	A	-1.0253
17	L	A	2.0717
18	V	A	3.2241
19	F	A	3.7478
20	F	A	2.8175
21	A	A	0.8108
22	E	A	-1.1246
23	D	A	-1.7051
24	V	A	-0.2865
25	G	A	-1.1769
26	S	A	-1.2798
27	N	A	-1.4969
28	K	A	-1.6273
29	G	A	-0.2068
30	A	A	0.6895
31	I	A	2.4551
32	I	A	2.3542
33	G	A	2.1690
34	L	A	3.8498
35	M	A	4.1162
36	V	A	4.2410
37	G	A	3.3998
38	G	A	3.5495
39	V	A	4.2012
40	V	A	4.1942
41	I	A	3.8367
42	A	A	2.1312