Project name: query_structure

Chain sequence(s)	A: GTCRTLGCTCLPLRCKAPRMVRCGETCWG
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:19)

• Minimal score value: -2.6993
• Maximal score value: 0.8298
• Average score: -0.7518
• Total score value: -21.8033

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	-0.3976
2	T	A	-0.1689
3	C	A	-1.0856
4	R	A	-1.6125
5	T	A	-0.6069
6	L	A	0.8298
7	G	A	-0.1820
8	C	A	-0.6021
9	T	A	-0.5505
10	C	A	-0.4605
11	L	A	0.1417
12	P	A	0.2893
13	L	A	0.3839
14	R	A	-1.7317
15	C	A	0.0000
16	K	A	-1.8498
17	A	A	-1.1014
18	P	A	-1.1665
19	R	A	-1.6678
20	M	A	0.0515
21	V	A	-0.0643
22	R	A	-1.7950
23	C	A	-1.7044
24	G	A	-2.2936
25	E	A	-2.6993
26	T	A	-1.2844
27	C	A	-0.5197
28	W	A	0.1967
29	G	A	-0.1517