Project name: query_structure

Chain sequence(s)	A: CEAIYAAPKCRRDSDCPGACICRGNGYCGEAIYAAPFAR
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:15)

• Minimal score value: -3.8988
• Maximal score value: 2.6795
• Average score: -0.4075
• Total score value: -15.8938

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	-0.3474
2	E	A	-0.2804
3	A	A	1.1001
4	I	A	2.6795
5	Y	A	2.2826
6	A	A	1.0449
7	A	A	0.6823
8	P	A	-0.3801
9	K	A	-2.3707
10	C	A	-2.8001
11	R	A	-3.5159
12	R	A	-3.8988
13	D	A	-3.0026
14	S	A	-2.1647
15	D	A	-2.4799
16	C	A	0.0000
17	P	A	-0.8740
18	G	A	-0.5402
19	A	A	-0.3495
20	C	A	0.0000
21	I	A	-0.8221
22	C	A	-1.9112
23	R	A	-1.6424
24	G	A	-1.1300
25	N	A	-1.7327
26	G	A	-1.7070
27	Y	A	-1.2182
28	C	A	0.0000
29	G	A	0.0000
30	E	A	0.0000
31	A	A	1.2712
32	I	A	2.4775
33	Y	A	1.6395
34	A	A	1.0925
35	A	A	1.1578
36	P	A	0.8281
37	F	A	1.7109
38	A	A	0.2589
39	R	A	-0.9517