Project name: query_structure

Chain sequence(s)	A: CIPRGGICLVALSGCCNSPGCIFGICA
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -2.0117
• Maximal score value: 3.7147
• Average score: 0.8144
• Total score value: 21.9879

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	0.9383
2	I	A	0.3530
3	P	A	-0.8369
4	R	A	-2.0117
5	G	A	-0.7499
6	G	A	0.3907
7	I	A	2.1240
8	C	A	0.0000
9	L	A	3.3175
10	V	A	3.7147
11	A	A	2.2134
12	L	A	1.9693
13	S	A	0.8037
14	G	A	0.2816
15	C	A	0.2423
16	C	A	0.0736
17	N	A	-1.3094
18	S	A	-1.1917
19	P	A	-0.6254
20	G	A	-0.3038
21	C	A	1.6221
22	I	A	3.1556
23	F	A	3.6952
24	G	A	2.3350
25	I	A	1.8735
26	C	A	0.0000
27	A	A	-0.0868