Project name: query_structure

Chain sequence(s)	A: RWCVYAYVRVRGVLVRYRRCW
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                                          (00:00:16)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -1.1343
• Maximal score value: 2.0722
• Average score: 0.5654
• Total score value: 11.8734

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	R	A	-0.6525
2	W	A	0.8236
3	C	A	0.9485
4	V	A	1.3105
5	Y	A	1.1601
6	A	A	0.8772
7	Y	A	1.2638
8	V	A	0.5744
9	R	A	-0.1957
10	V	A	0.2786
11	R	A	-1.1343
12	G	A	-0.2425
13	V	A	1.6307
14	L	A	2.0722
15	V	A	1.4113
16	R	A	-0.0994
17	Y	A	0.3117
18	R	A	-0.4971
19	R	A	-0.0411
20	C	A	0.8763
21	W	A	1.1971