Project name: query_structure

Chain sequence(s)	A: GVACGESCVYLPCFTVGCTCTSSQCFKN
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                                          (00:00:10)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:11)

• Minimal score value: -1.4571
• Maximal score value: 2.8224
• Average score: 0.7659
• Total score value: 21.4457

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	-0.2166
2	V	A	1.1110
3	A	A	0.4225
4	C	A	0.5138
5	G	A	-0.4152
6	E	A	0.1985
7	S	A	0.7661
8	C	A	1.7413
9	V	A	2.4177
10	Y	A	2.7422
11	L	A	2.8224
12	P	A	1.6769
13	C	A	1.9010
14	F	A	2.5200
15	T	A	1.5469
16	V	A	1.9598
17	G	A	0.3159
18	C	A	0.4569
19	T	A	0.2004
20	C	A	0.7505
21	T	A	0.0834
22	S	A	-0.0817
23	S	A	0.4693
24	Q	A	-0.3462
25	C	A	0.0000
26	F	A	0.0322
27	K	A	-0.6862
28	N	A	-1.4571