Project name: query_structure

Chain sequence(s)	A: GLPVCGETCFGGTCNTPGCSCSYPICTRN
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.                                          (00:00:07)

• Minimal score value: -1.8922
• Maximal score value: 2.0158
• Average score: 0.0321
• Total score value: 0.9315

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	0.2830
2	L	A	1.1662
3	P	A	-0.0661
4	V	A	0.2213
5	C	A	-0.3887
6	G	A	-0.2802
7	E	A	-0.1367
8	T	A	0.6613
9	C	A	0.0000
10	F	A	2.0158
11	G	A	0.5343
12	G	A	0.3781
13	T	A	0.0431
14	C	A	-0.3692
15	N	A	-1.3353
16	T	A	-1.0445
17	P	A	-1.0667
18	G	A	-1.3827
19	C	A	-1.1710
20	S	A	-0.3860
21	C	A	0.8363
22	S	A	1.1627
23	Y	A	1.9551
24	P	A	1.6067
25	I	A	1.3856
26	C	A	0.0000
27	T	A	-0.2354
28	R	A	-1.5633
29	N	A	-1.8922