Project name: query_structure

Chain sequence(s)	A: ESCVFIPCISSVLGCSCKNKVCYRNGVIPCG
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:18)

• Minimal score value: -2.1698
• Maximal score value: 2.7768
• Average score: 0.3016
• Total score value: 9.3503

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	-0.0298
2	S	A	0.2128
3	C	A	0.9245
4	V	A	1.3276
5	F	A	2.7277
6	I	A	2.6885
7	P	A	1.5127
8	C	A	0.0000
9	I	A	2.6682
10	S	A	1.6287
11	S	A	1.4748
12	V	A	2.7768
13	L	A	2.1913
14	G	A	0.3025
15	C	A	0.0000
16	S	A	-0.6189
17	C	A	-0.7667
18	K	A	-1.8710
19	N	A	-2.1698
20	K	A	-1.5721
21	V	A	-1.0553
22	C	A	0.0000
23	Y	A	-0.8819
24	R	A	-1.5562
25	N	A	-1.5522
26	G	A	-0.3896
27	V	A	1.2473
28	I	A	0.8282
29	P	A	-0.0764
30	C	A	-0.0241
31	G	A	-0.5973