Project name: query_structure

Chain sequence(s)	I: ILKRCKTYDDCKDVCKARKGKCEFGICKCMIK
Selected Chain(s)	I
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 I 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                                          (00:00:44)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:45)

• Minimal score value: -4.3014
• Maximal score value: 1.4067
• Average score: -1.2781
• Total score value: -40.9003

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	I	I	1.4067
2	L	I	1.2712
3	K	I	-0.7819
4	R	I	-1.7191
5	C	I	0.0000
6	K	I	-2.3723
7	T	I	-2.1720
8	Y	I	-2.5758
9	D	I	-3.4596
10	D	I	-3.3350
11	C	I	0.0000
12	K	I	-4.3014
13	D	I	-3.4859
14	V	I	-1.5545
15	C	I	0.0000
16	K	I	-3.6187
17	A	I	-2.4541
18	R	I	-3.0571
19	K	I	-3.1969
20	G	I	-2.3932
21	K	I	-2.3483
22	C	I	-1.5329
23	E	I	-0.2820
24	F	I	1.1962
25	G	I	-0.1762
26	I	I	-0.2768
27	C	I	0.0000
28	K	I	-1.0295
29	C	I	0.0000
30	M	I	0.4372
31	I	I	1.0125
32	K	I	-0.1009