Project name: query_structure

Chain sequence(s)	A: GCAGKSCNILGSDPCDAGCFCLPVGIVAGVCV
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                                          (00:00:03)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:03)

• Minimal score value: -1.3754
• Maximal score value: 2.9552
• Average score: 0.7976
• Total score value: 25.5238

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	-0.6444
2	C	A	-0.1600
3	A	A	0.3203
4	G	A	-0.5136
5	K	A	-1.1046
6	S	A	-0.4173
7	C	A	0.0000
8	N	A	1.4224
9	I	A	2.9552
10	L	A	1.8394
11	G	A	0.2764
12	S	A	-0.4296
13	D	A	-1.3754
14	P	A	-0.2092
15	C	A	-0.1123
16	D	A	-0.9463
17	A	A	-0.3314
18	G	A	-0.0116
19	C	A	1.0523
20	F	A	2.6311
21	C	A	2.0055
22	L	A	2.4385
23	P	A	2.3626
24	V	A	2.4757
25	G	A	1.8190
26	I	A	2.5854
27	V	A	2.5709
28	A	A	1.7941
29	G	A	0.0000
30	V	A	1.3589
31	C	A	0.0000
32	V	A	1.8718