Project name: query_structure

Chain sequence(s)	A: CKAAGKPCSRIAYNCCTGSCRSGKC
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.                                          (00:00:17)

• Minimal score value: -3.5306
• Maximal score value: 1.0289
• Average score: -1.0683
• Total score value: -26.707

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	0.4776
2	K	A	-0.4486
3	A	A	-0.6275
4	A	A	-0.9997
5	G	A	-1.9743
6	K	A	-2.6652
7	P	A	-2.1445
8	C	A	0.0000
9	S	A	-1.2570
10	R	A	-1.6085
11	I	A	1.0289
12	A	A	0.6387
13	Y	A	0.4078
14	N	A	-0.5922
15	C	A	0.0390
16	C	A	0.5928
17	T	A	-0.0138
18	G	A	-0.7089
19	S	A	-1.2942
20	C	A	-2.1526
21	R	A	-2.9968
22	S	A	-2.0028
23	G	A	-2.5730
24	K	A	-3.5306
25	C	A	-2.3016