Project name: Metagencin1

Chain sequence(s)	A: AASARAILAFLDCERRLRGTGPQVIQVIKPRN
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]                                                (00:00:08)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:08)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:08)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:08)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:08)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:59)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:00)

• Minimal score value: -3.7181
• Maximal score value: 2.0561
• Average score: -0.7711
• Total score value: -24.6764

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	A	A	-0.4148
2	A	A	-0.4898
3	S	A	-0.4833
4	A	A	0.0721
5	R	A	-1.0876
6	A	A	-0.0247
7	I	A	1.6387
8	L	A	1.2471
9	A	A	0.2544
10	F	A	1.6113
11	L	A	0.1761
12	D	A	-1.9758
13	C	A	-1.1239
14	E	A	-2.3300
15	R	A	-3.7181
16	R	A	-3.1565
17	L	A	-1.6047
18	R	A	-3.0291
19	G	A	-1.9360
20	T	A	-1.5535
21	G	A	-1.4254
22	P	A	-0.7616
23	Q	A	-1.0616
24	V	A	-0.2832
25	I	A	2.0561
26	Q	A	0.5808
27	V	A	1.8192
28	I	A	0.6861
29	K	A	-1.6479
30	P	A	-1.8303
31	R	A	-2.5599
32	N	A	-2.3206