Project name: query_structure

Chain sequence(s)	A: GLPTCGETCTLGTCYVPDCSCSWPICMKN
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                                          (00:00:05)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:05)

• Minimal score value: -1.8685
• Maximal score value: 1.6088
• Average score: 0.2217
• Total score value: 6.4283

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	-0.5479
2	L	A	0.6253
3	P	A	0.2436
4	T	A	0.0437
5	C	A	0.0667
6	G	A	-0.2567
7	E	A	0.0000
8	T	A	0.8278
9	C	A	0.0000
10	T	A	1.0044
11	L	A	1.5091
12	G	A	0.7461
13	T	A	0.8716
14	C	A	0.9267
15	Y	A	1.1994
16	V	A	0.3210
17	P	A	-0.6913
18	D	A	-1.8685
19	C	A	-0.7729
20	S	A	-0.3349
21	C	A	0.7671
22	S	A	0.6905
23	W	A	1.6088
24	P	A	1.1949
25	I	A	1.1180
26	C	A	0.0000
27	M	A	-0.0030
28	K	A	-1.2665
29	N	A	-1.5947