Project name: RADA16-I_8

Chain sequence(s)	A: RADARADARADARADA; C: RADARADARADARADA; B: RADARADARADARADA; E: RADARADARADARADA; D: RADARADARADARADA; G: RADARADARADARADA; F: RADARADARADARADA; H: RADARADARADARADA
Selected Chain(s)	A,C,B,E,D,G,F,H
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                                          (00:03:45)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:47)

• Minimal score value: -4.1854
• Maximal score value: 0.0
• Average score: -2.3002
• Total score value: -294.4219

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	-2.8110
2	A	A	-2.3877
3	D	A	-3.1157
4	A	A	-2.0833
5	R	A	-2.5250
6	A	A	0.0000
7	D	A	-2.1625
8	A	A	0.0000
9	R	A	-2.4846
10	A	A	0.0000
11	D	A	-2.1405
12	A	A	-2.1362
13	R	A	-2.7850
14	A	A	-2.6128
15	D	A	-2.3181
16	A	A	-1.4333
1	R	B	-3.0533
2	A	B	-2.4454
3	D	B	-3.0657
4	A	B	-2.5341
5	R	B	-2.8209
6	A	B	0.0000
7	D	B	-2.2470
8	A	B	0.0000
9	R	B	-2.4803
10	A	B	0.0000
11	D	B	-2.1811
12	A	B	0.0000
13	R	B	-3.2087
14	A	B	-2.5729
15	D	B	-2.2257
16	A	B	-1.5333
1	R	C	-2.8536
2	A	C	-2.3618
3	D	C	-2.4547
4	A	C	-1.9062
5	R	C	0.0000
6	A	C	0.0000
7	D	C	-1.9791
8	A	C	-1.7009
9	R	C	-2.0586
10	A	C	0.0000
11	D	C	-2.3074
12	A	C	0.0000
13	R	C	-2.3079
14	A	C	-2.4612
15	D	C	-2.5362
16	A	C	-1.4095
1	R	D	-2.7397
2	A	D	-2.2932
3	D	D	-2.9505
4	A	D	-2.4772
5	R	D	-3.2058
6	A	D	0.0000
7	D	D	-1.6949
8	A	D	-2.1791
9	R	D	-2.6352
10	A	D	0.0000
11	D	D	-1.7910
12	A	D	-2.1828
13	R	D	-2.5982
14	A	D	-2.0236
15	D	D	-1.8912
16	A	D	-1.2766
1	R	E	-2.4706
2	A	E	-2.2785
3	D	E	-2.3002
4	A	E	-2.3059
5	R	E	-3.2742
6	A	E	0.0000
7	D	E	-2.3205
8	A	E	-2.3318
9	R	E	-3.1607
10	A	E	0.0000
11	D	E	-2.9643
12	A	E	-2.5540
13	R	E	-3.2150
14	A	E	-2.7595
15	D	E	-2.5516
16	A	E	-1.5015
1	R	F	-2.5559
2	A	F	-1.7281
3	D	F	0.0000
4	A	F	-2.3843
5	R	F	-3.2351
6	A	F	-2.4627
7	D	F	-2.5724
8	A	F	-2.5598
9	R	F	-3.6546
10	A	F	-3.0201
11	D	F	-3.6961
12	A	F	-2.9769
13	R	F	-3.4439
14	A	F	-2.5491
15	D	F	-2.9767
16	A	F	-1.6315
1	R	G	-2.9029
2	A	G	-2.6575
3	D	G	-3.1126
4	A	G	-3.0643
5	R	G	-3.4300
6	A	G	-3.0342
7	D	G	-3.8456
8	A	G	-3.6674
9	R	G	-4.1854
10	A	G	-3.2657
11	D	G	-3.9313
12	A	G	-3.1821
13	R	G	-3.6152
14	A	G	-2.5708
15	D	G	-2.9754
16	A	G	-1.6028
1	R	H	-2.7930
2	A	H	-2.2944
3	D	H	-3.0598
4	A	H	-2.7857
5	R	H	-2.8781
6	A	H	-2.5069
7	D	H	-3.3095
8	A	H	-2.9551
9	R	H	-2.6564
10	A	H	-2.6458
11	D	H	-3.4141
12	A	H	-3.1410
13	R	H	-3.8836
14	A	H	-2.3909
15	D	H	-3.0501
16	A	H	-2.5386