Project name: query_structure

Chain sequence(s)	A: FPRPRICNLACRAGIGHKYPFCHCR
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]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:35)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -2.6447
• Maximal score value: 1.4923
• Average score: -0.707
• Total score value: -17.6754

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	F	A	1.3600
2	P	A	-0.4643
3	R	A	-1.9452
4	P	A	-1.0365
5	R	A	-1.7695
6	I	A	0.1486
7	C	A	0.0000
8	N	A	-0.7919
9	L	A	0.6598
10	A	A	0.0000
11	C	A	-1.0170
12	R	A	-1.5136
13	A	A	-0.6499
14	G	A	-1.4037
15	I	A	-1.0716
16	G	A	0.0000
17	H	A	-2.1582
18	K	A	-2.0132
19	Y	A	-0.1546
20	P	A	0.0280
21	F	A	1.4923
22	C	A	0.0000
23	H	A	-1.3115
24	C	A	-1.4187
25	R	A	-2.6447