Project name: query_structure

Chain sequence(s)	A: ESCVFLGCFIPGCSCKSKVCYFNGIACG
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                                          (00:00:12)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:12)

• Minimal score value: -1.6141
• Maximal score value: 2.7839
• Average score: 0.6
• Total score value: 16.7999

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	E	A	0.1153
2	S	A	0.3569
3	C	A	1.0392
4	V	A	1.5713
5	F	A	2.7839
6	L	A	2.6954
7	G	A	1.5200
8	C	A	1.4400
9	F	A	2.2868
10	I	A	1.4901
11	P	A	0.5785
12	G	A	0.1007
13	C	A	0.0000
14	S	A	0.0624
15	C	A	-0.2751
16	K	A	-1.6141
17	S	A	-1.3866
18	K	A	-1.2558
19	V	A	-0.5653
20	C	A	0.0000
21	Y	A	0.6916
22	F	A	1.2261
23	N	A	-0.1947
24	G	A	0.2489
25	I	A	2.0356
26	A	A	0.9504
27	C	A	0.9225
28	G	A	-0.0241