Project name: query_structure

Chain sequence(s)	A: RSVCRQIKICRRRGGCYYKCTNRPY
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: -3.5861
• Maximal score value: 1.2374
• Average score: -1.0626
• Total score value: -26.5644

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	-1.5541
2	S	A	-0.5429
3	V	A	0.6020
4	C	A	-1.1008
5	R	A	-2.2350
6	Q	A	-1.8388
7	I	A	-0.7086
8	K	A	-0.4857
9	I	A	0.1921
10	C	A	-0.5742
11	R	A	-2.8386
12	R	A	-3.5861
13	R	A	-3.4628
14	G	A	-2.0529
15	G	A	-1.2138
16	C	A	0.1849
17	Y	A	1.2374
18	Y	A	0.9630
19	K	A	-0.2600
20	C	A	-0.9064
21	T	A	-1.5486
22	N	A	-2.2084
23	R	A	-2.3078
24	P	A	-0.7669
25	Y	A	0.4486