Project name: RADA16-I_2

Chain sequence(s)	A: RADARADARADARADA; B: RADARADARADARADA
Selected Chain(s)	A,B
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with all chain(s) selected           (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:41)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:41)

• Minimal score value: -4.0305
• Maximal score value: 0.0
• Average score: -2.4371
• Total score value: -77.9882

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	-3.1498
2	A	A	-2.4834
3	D	A	-3.1541
4	A	A	0.0000
5	R	A	-3.7622
6	A	A	-2.8064
7	D	A	-3.4826
8	A	A	0.0000
9	R	A	-3.6130
10	A	A	-2.8156
11	D	A	-3.5667
12	A	A	0.0000
13	R	A	-3.1678
14	A	A	-2.2917
15	D	A	-2.6951
16	A	A	-1.7073
1	R	B	-3.1918
2	A	B	-2.5644
3	D	B	-3.2299
4	A	B	0.0000
5	R	B	-4.0305
6	A	B	-2.9622
7	D	B	-3.5535
8	A	B	0.0000
9	R	B	-3.7192
10	A	B	-2.8576
11	D	B	-3.5090
12	A	B	0.0000
13	R	B	-3.0897
14	A	B	-2.2465
15	D	B	-2.6528
16	A	B	-1.6854