Project name: RADA16-I_4

Chain sequence(s)	A: RADARADARADARADA; C: RADARADARADARADA; B: RADARADARADARADA; D: RADARADARADARADA
Selected Chain(s)	A,C,B,D
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 all 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                                          (00:01:39)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:41)

• Minimal score value: -4.346
• Maximal score value: 0.0
• Average score: -2.4623
• Total score value: -157.5893

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	-2.9638
2	A	A	-2.1838
3	D	A	-3.1739
4	A	A	-2.9059
5	R	A	-3.0872
6	A	A	-2.8680
7	D	A	-3.3061
8	A	A	-2.8862
9	R	A	-3.3745
10	A	A	-2.9468
11	D	A	-3.5498
12	A	A	-3.1776
13	R	A	-3.2522
14	A	A	-2.4328
15	D	A	-2.9597
16	A	A	-1.6205
1	R	B	-4.2666
2	A	B	-2.6886
3	D	B	-3.0851
4	A	B	-3.0567
5	R	B	-2.7203
6	A	B	-1.7754
7	D	B	-2.1770
8	A	B	-1.9155
9	R	B	-1.9913
10	A	B	-1.4991
11	D	B	-1.9059
12	A	B	-2.1101
13	R	B	-2.0263
14	A	B	-1.3557
15	D	B	0.0000
16	A	B	-1.0874
1	R	C	-2.8500
2	A	C	-2.2292
3	D	C	-2.9806
4	A	C	-2.6687
5	R	C	-3.0767
6	A	C	-2.3167
7	D	C	-2.2829
8	A	C	-2.1538
9	R	C	-2.3799
10	A	C	-1.7185
11	D	C	-1.7432
12	A	C	-1.8949
13	R	C	-2.3675
14	A	C	-1.3142
15	D	C	-1.5656
16	A	C	-1.1421
1	R	D	-4.3460
2	A	D	-3.0507
3	D	D	-3.3889
4	A	D	-3.4701
5	R	D	-3.6743
6	A	D	-2.3649
7	D	D	-2.4727
8	A	D	-2.3967
9	R	D	-2.3407
10	A	D	-2.0140
11	D	D	-2.2883
12	A	D	-2.1030
13	R	D	-2.7562
14	A	D	-1.9977
15	D	D	-2.4575
16	A	D	-1.4333