Project name: 5a363d73786fa86

Chain sequence(s)	A: CDKDEAWKQVEILRRLGAKQIAYRSDDWRDLQEALKKGGDILIVDAT
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                                          (00:01:11)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:11)

• Minimal score value: -4.5691
• Maximal score value: 1.2967
• Average score: -1.3811
• Total score value: -64.9124

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	C	A	-1.2147
2	D	A	-3.4170
3	K	A	-4.1956
4	D	A	-4.5691
5	E	A	-4.5588
6	A	A	-3.2171
7	W	A	-3.2970
8	K	A	-3.6589
9	Q	A	-2.8583
10	V	A	0.0000
11	E	A	-2.3989
12	I	A	-0.9465
13	L	A	-0.8725
14	R	A	-2.1720
15	R	A	-1.5450
16	L	A	0.1911
17	G	A	-0.9624
18	A	A	-1.4288
19	K	A	-2.4764
20	Q	A	-2.2787
21	I	A	0.0000
22	A	A	-0.1867
23	Y	A	-0.2294
24	R	A	-1.0796
25	S	A	-1.4467
26	D	A	-1.7800
27	D	A	-1.3957
28	W	A	-0.3978
29	R	A	-1.9645
30	D	A	-2.2761
31	L	A	0.0000
32	Q	A	-1.3655
33	E	A	-1.9507
34	A	A	0.0000
35	L	A	-0.9041
36	K	A	-2.2185
37	K	A	-2.2096
38	G	A	-1.8165
39	G	A	0.0000
40	D	A	-1.3041
41	I	A	0.5595
42	L	A	1.1010
43	I	A	1.0715
44	V	A	1.2967
45	D	A	-0.2786
46	A	A	-0.0267
47	T	A	-0.2337