Project name: query_structure

Chain sequence(s)	A: KTCENLSGTFKGPCIPDGNCNKHCRNNEHLLSGRCRDDFRCWCTNRC
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: -3.9263
• Maximal score value: 0.4381
• Average score: -1.4977
• Total score value: -70.3926

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	K	A	-1.8264
2	T	A	-1.2712
3	C	A	-0.7902
4	E	A	-1.0343
5	N	A	-1.2131
6	L	A	0.0000
7	S	A	0.0000
8	G	A	0.0000
9	T	A	-0.4289
10	F	A	0.4381
11	K	A	-1.1743
12	G	A	-1.1415
13	P	A	-1.2046
14	C	A	-1.1380
15	I	A	-1.4017
16	P	A	-2.1082
17	D	A	-2.3928
18	G	A	-2.2772
19	N	A	-2.1827
20	C	A	0.0000
21	N	A	-2.7089
22	K	A	-3.9049
23	H	A	-3.5514
24	C	A	0.0000
25	R	A	-3.6614
26	N	A	-3.9263
27	N	A	-3.6668
28	E	A	-3.6356
29	H	A	-3.0946
30	L	A	-1.7281
31	L	A	0.1864
32	S	A	-0.5242
33	G	A	0.0000
34	R	A	-2.1640
35	C	A	-2.0422
36	R	A	-2.2070
37	D	A	-2.0372
38	D	A	-2.4991
39	F	A	-1.5826
40	R	A	-1.8123
41	C	A	0.0000
42	W	A	-0.5399
43	C	A	-0.8683
44	T	A	0.0000
45	N	A	-1.3415
46	R	A	-1.6646
47	C	A	-0.2711