Project name: query_structure

Chain sequence(s)	A: AFIQLSKPCISDKECSIVKNYRARCRKGYCVRRRIR
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                                          (00:00:37)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -3.9437
• Maximal score value: 2.7838
• Average score: -0.7738
• Total score value: -27.8584

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	A	A	1.3980
2	F	A	2.7838
3	I	A	2.6898
4	Q	A	0.8256
5	L	A	1.0623
6	S	A	-0.3668
7	K	A	-1.3753
8	P	A	-0.6215
9	C	A	0.4016
10	I	A	0.5603
11	S	A	-1.5143
12	D	A	-3.3782
13	K	A	-2.3855
14	E	A	-1.4749
15	C	A	0.0000
16	S	A	-0.8360
17	I	A	1.3461
18	V	A	1.1732
19	K	A	-0.7371
20	N	A	-0.3969
21	Y	A	0.0937
22	R	A	-2.2558
23	A	A	0.0000
24	R	A	-3.7048
25	C	A	0.0000
26	R	A	-2.6780
27	K	A	-2.2442
28	G	A	-1.1054
29	Y	A	-0.1500
30	C	A	-0.7837
31	V	A	-1.6845
32	R	A	-3.5449
33	R	A	-3.9437
34	R	A	-3.0766
35	I	A	-0.2002
36	R	A	-1.7345