Project name: query_structure

Chain sequence(s)	A: ATCKAECPTWDSVCINKKPCVACCKKAKFSDGHCSKILRRCLCTKEC
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                                          (00:00:33)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:34)

• Minimal score value: -3.2274
• Maximal score value: 1.7867
• Average score: -0.9102
• Total score value: -42.7801

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	A	A	-0.2106
2	T	A	-0.8105
3	C	A	-0.9777
4	K	A	-2.1709
5	A	A	-1.2693
6	E	A	-1.7709
7	C	A	0.0000
8	P	A	-0.7613
9	T	A	-0.6959
10	W	A	-0.9607
11	D	A	-1.6600
12	S	A	0.0359
13	V	A	1.7554
14	C	A	0.0000
15	I	A	1.4751
16	N	A	-0.6198
17	K	A	-1.8889
18	K	A	-2.2291
19	P	A	-1.2157
20	C	A	0.0000
21	V	A	-1.8151
22	A	A	-1.7362
23	C	A	0.0000
24	C	A	0.0000
25	K	A	-3.2274
26	K	A	-2.9591
27	A	A	-2.3340
28	K	A	-2.9243
29	F	A	-2.3777
30	S	A	-1.9449
31	D	A	-2.3274
32	G	A	0.0000
33	H	A	-2.2512
34	C	A	0.0000
35	S	A	0.0000
36	K	A	-0.6053
37	I	A	1.7867
38	L	A	1.7235
39	R	A	0.4659
40	R	A	-0.4028
41	C	A	0.0000
42	L	A	-1.2831
43	C	A	0.0000
44	T	A	-2.0365
45	K	A	-2.2100
46	E	A	-1.9572
47	C	A	-0.3891