Project name: A?42

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]                                                (00:00:01)
[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 A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.0605
• Maximal score value: 3.856
• Average score: 0.0656
• Total score value: 2.754

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	-2.7205
2	A	A	-2.4196
3	E	A	-2.5661
4	F	A	-0.9892
5	R	A	-2.7498
6	H	A	-3.0605
7	D	A	-2.6325
8	S	A	-1.3739
9	G	A	-0.6290
10	Y	A	-0.2682
11	E	A	-1.1154
12	V	A	0.4409
13	H	A	-1.1634
14	H	A	-1.1638
15	Q	A	-0.4199
16	K	A	-0.9584
17	L	A	0.6238
18	V	A	0.4213
19	F	A	1.7515
20	F	A	1.8238
21	A	A	0.3837
22	E	A	-1.0286
23	D	A	-1.5678
24	V	A	-0.8877
25	G	A	-1.6018
26	S	A	-1.6980
27	N	A	-2.3388
28	K	A	-2.1212
29	G	A	-0.4553
30	A	A	0.1211
31	I	A	2.2515
32	I	A	3.1413
33	G	A	2.2908
34	L	A	3.0350
35	M	A	3.4122
36	V	A	2.9308
37	G	A	1.9830
38	G	A	1.8550
39	V	A	3.0365
40	V	A	3.8560
41	I	A	3.4881
42	A	A	1.8371