Project name: query_structure

Chain sequence(s)	A: GTCNTPGCSCSWPVCTRNGLPICGETCVG
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                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:06)

• Minimal score value: -1.2776
• Maximal score value: 1.8831
• Average score: 0.1452
• Total score value: 4.2104

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	0.3568
2	T	A	0.2556
3	C	A	-0.1886
4	N	A	-1.1117
5	T	A	-1.0374
6	P	A	-0.8921
7	G	A	-1.0907
8	C	A	-0.6267
9	S	A	-0.4703
10	C	A	0.4303
11	S	A	0.5565
12	W	A	1.3999
13	P	A	0.9265
14	V	A	1.3513
15	C	A	0.0000
16	T	A	0.0000
17	R	A	-0.6715
18	N	A	-1.2776
19	G	A	-0.3702
20	L	A	1.2199
21	P	A	1.0397
22	I	A	1.8831
23	C	A	0.4826
24	G	A	0.2148
25	E	A	-0.0495
26	T	A	0.3484
27	C	A	0.0000
28	V	A	1.2614
29	G	A	0.2699