Project name: query_structure

Chain sequence(s)	A: RNGFIPCGETCIWDKTCHAAGCSCSVANIC
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.                                          (00:00:10)

• Minimal score value: -2.3667
• Maximal score value: 1.7526
• Average score: -0.1201
• Total score value: -3.6037

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	R	A	-2.3667
2	N	A	-1.7997
3	G	A	-0.4498
4	F	A	1.3562
5	I	A	1.0534
6	P	A	0.4875
7	C	A	0.0775
8	G	A	-0.1208
9	E	A	-0.0943
10	T	A	0.0491
11	C	A	0.0000
12	I	A	1.2817
13	W	A	0.4910
14	D	A	-1.7521
15	K	A	-1.6594
16	T	A	-1.3028
17	C	A	-0.9140
18	H	A	-1.4585
19	A	A	-0.6731
20	A	A	-0.3693
21	G	A	-0.5434
22	C	A	-0.2853
23	S	A	-0.2794
24	C	A	-0.0240
25	S	A	0.8457
26	V	A	1.7526
27	A	A	1.2161
28	N	A	0.7735
29	I	A	1.1046
30	C	A	0.0000