Project name: query_structure

Chain sequence(s)	A: CGESCVFIPCISTLLGCSCKNKVCYRNGVIP
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: -1.7935
• Maximal score value: 3.2408
• Average score: 0.5365
• Total score value: 16.6301

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	C	A	0.2230
2	G	A	-0.5015
3	E	A	0.0002
4	S	A	0.5564
5	C	A	0.0000
6	V	A	1.8152
7	F	A	3.1008
8	I	A	3.2408
9	P	A	1.7245
10	C	A	0.0000
11	I	A	2.6438
12	S	A	1.6085
13	T	A	1.6255
14	L	A	2.4223
15	L	A	2.0240
16	G	A	0.6218
17	C	A	0.0000
18	S	A	0.0245
19	C	A	0.0737
20	K	A	-1.0369
21	N	A	-1.7935
22	K	A	-1.0110
23	V	A	-0.5550
24	C	A	0.0000
25	Y	A	-0.2406
26	R	A	-0.6975
27	N	A	-1.0913
28	G	A	-0.3949
29	V	A	1.2587
30	I	A	0.8387
31	P	A	0.1499