Project name: query_structure

Chain sequence(s)	A: SFGLCRLRRGFCARGRCRFPSIPIGRCSRFVQCCRRVW
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                                          (00:00:28)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -3.3617
• Maximal score value: 1.6161
• Average score: -0.4953
• Total score value: -18.8208

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	S	A	0.1694
2	F	A	1.6161
3	G	A	1.0082
4	L	A	1.5028
5	C	A	0.2736
6	R	A	-1.7353
7	L	A	-0.2249
8	R	A	-2.6237
9	R	A	-3.3617
10	G	A	0.0000
11	F	A	-1.0247
12	C	A	-0.4918
13	A	A	-1.6343
14	R	A	-2.3450
15	G	A	-2.1081
16	R	A	-2.3031
17	C	A	0.0000
18	R	A	-1.8787
19	F	A	0.9160
20	P	A	0.5822
21	S	A	0.0000
22	I	A	0.5483
23	P	A	-0.3366
24	I	A	0.8465
25	G	A	-0.3021
26	R	A	-1.3836
27	C	A	0.0000
28	S	A	-0.7887
29	R	A	-1.6645
30	F	A	-0.1671
31	V	A	0.0000
32	Q	A	-1.3416
33	C	A	0.0000
34	C	A	0.0000
35	R	A	-2.0578
36	R	A	-1.2252
37	V	A	1.3548
38	W	A	1.3598