Project name: query_structure

Chain sequence(s)	A: GTIPCGESCVYIPCLTSALGCSCKNKVCYRN
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                                          (00:00:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.0897
• Maximal score value: 2.1865
• Average score: 0.0336
• Total score value: 1.0429

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	-0.9384
2	T	A	0.0619
3	I	A	1.0528
4	P	A	0.1106
5	C	A	0.1541
6	G	A	-0.2259
7	E	A	-0.0112
8	S	A	0.2431
9	C	A	0.8028
10	V	A	1.9763
11	Y	A	2.1865
12	I	A	1.6271
13	P	A	1.0050
14	C	A	0.0000
15	L	A	1.6047
16	T	A	0.9092
17	S	A	0.5508
18	A	A	0.9136
19	L	A	1.3226
20	G	A	-0.1991
21	C	A	0.0000
22	S	A	-0.8556
23	C	A	-0.6397
24	K	A	-2.0897
25	N	A	-2.0855
26	K	A	-1.4386
27	V	A	-0.8958
28	C	A	0.0000
29	Y	A	-0.9551
30	R	A	-1.3893
31	N	A	-1.7543