Project name: query_structure

Chain sequence(s)	A: GLLCYCRKGHCKRGERVRGTCGIRFLYCCPRR
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                                          (00:00:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:29)

• Minimal score value: -3.797
• Maximal score value: 1.8557
• Average score: -1.1119
• Total score value: -35.5792

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	G	A	0.1785
2	L	A	1.8557
3	L	A	1.4854
4	C	A	1.0670
5	Y	A	1.5867
6	C	A	0.0212
7	R	A	-2.4397
8	K	A	-2.6084
9	G	A	-2.2612
10	H	A	-3.2682
11	C	A	-3.1317
12	K	A	-3.2775
13	R	A	-3.7970
14	G	A	-3.0313
15	E	A	-3.5451
16	R	A	-2.6097
17	V	A	-0.1712
18	R	A	-1.6473
19	G	A	-0.7158
20	T	A	0.0581
21	C	A	0.4318
22	G	A	0.3045
23	I	A	1.0262
24	R	A	-1.3359
25	F	A	-0.5758
26	L	A	0.0000
27	Y	A	-0.7302
28	C	A	0.0000
29	C	A	-0.8478
30	P	A	-2.1894
31	R	A	-2.7491
32	R	A	-2.6620