Project name: RADA16-I_12

Chain sequence(s)	A: RADARADARADARADA; C: RADARADARADARADA; B: RADARADARADARADA; E: RADARADARADARADA; D: RADARADARADARADA; G: RADARADARADARADA; F: RADARADARADARADA; I: RADARADARADARADA; H: RADARADARADARADA; K: RADARADARADARADA; J: RADARADARADARADA; L: RADARADARADARADA
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,L
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                                          (00:05:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:06:01)

• Minimal score value: -4.0122
• Maximal score value: 0.0
• Average score: -2.7675
• Total score value: -531.3587

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	-2.7050
2	A	A	-1.9901
3	D	A	-2.9661
4	A	A	-2.3119
5	R	A	-2.9217
6	A	A	-1.9447
7	D	A	0.0000
8	A	A	-1.8353
9	R	A	-2.1614
10	A	A	-1.9412
11	D	A	-2.2402
12	A	A	0.0000
13	R	A	-2.4801
14	A	A	-2.2722
15	D	A	-2.4733
16	A	A	-1.5969
1	R	B	-2.2518
2	A	B	-2.1973
3	D	B	0.0000
4	A	B	0.0000
5	R	B	-2.5772
6	A	B	-2.2940
7	D	B	-2.2171
8	A	B	-2.6062
9	R	B	-3.0425
10	A	B	-2.8056
11	D	B	-2.9549
12	A	B	-2.6361
13	R	B	-3.6048
14	A	B	-2.9538
15	D	B	-2.6039
16	A	B	-2.0063
1	R	C	-2.5759
2	A	C	-2.0299
3	D	C	-2.7589
4	A	C	-2.6151
5	R	C	-2.7222
6	A	C	-2.5368
7	D	C	-3.4908
8	A	C	-3.4666
9	R	C	-3.7634
10	A	C	-3.3369
11	D	C	-3.8647
12	A	C	-3.2549
13	R	C	-3.6384
14	A	C	-2.5807
15	D	C	-2.8010
16	A	C	-1.7068
1	R	D	-2.9044
2	A	D	-2.4226
3	D	D	-3.2650
4	A	D	-2.7887
5	R	D	-3.4912
6	A	D	-2.9341
7	D	D	-3.1519
8	A	D	-2.3268
9	R	D	-3.3172
10	A	D	-2.6373
11	D	D	-2.3263
12	A	D	-2.3578
13	R	D	-2.8472
14	A	D	-1.9117
15	D	D	-1.6186
16	A	D	-1.4558
1	R	E	-2.5643
2	A	E	-2.4120
3	D	E	-3.4181
4	A	E	-2.1767
5	R	E	-2.9479
6	A	E	-2.8557
7	D	E	-3.1754
8	A	E	-2.5275
9	R	E	-2.7621
10	A	E	-2.8479
11	D	E	-3.3356
12	A	E	-2.6280
13	R	E	-3.1690
14	A	E	-2.3123
15	D	E	-2.8185
16	A	E	-1.6556
1	R	F	-3.3658
2	A	F	-2.3555
3	D	F	-3.1986
4	A	F	-3.2137
5	R	F	-3.9643
6	A	F	-2.7961
7	D	F	-2.5613
8	A	F	-3.2954
9	R	F	-3.6905
10	A	F	-2.9309
11	D	F	-3.4994
12	A	F	-3.1059
13	R	F	-3.4086
14	A	F	-2.8447
15	D	F	-2.7516
16	A	F	-1.6372
1	R	G	-2.7924
2	A	G	-2.4074
3	D	G	-3.2647
4	A	G	-2.8202
5	R	G	-3.5789
6	A	G	-3.0899
7	D	G	-3.4897
8	A	G	-2.6160
9	R	G	-3.2230
10	A	G	-3.6287
11	D	G	-3.8704
12	A	G	0.0000
13	R	G	-3.4221
14	A	G	-3.0876
15	D	G	-2.7830
16	A	G	-2.1079
1	R	H	-1.9660
2	A	H	-1.7970
3	D	H	-2.3982
4	A	H	-1.8092
5	R	H	-2.4181
6	A	H	-2.7052
7	D	H	-2.9033
8	A	H	-2.2807
9	R	H	-2.7520
10	A	H	-3.1046
11	D	H	-3.4845
12	A	H	-2.8269
13	R	H	-3.3140
14	A	H	-2.6105
15	D	H	-2.9144
16	A	H	-1.7021
1	R	I	-2.7928
2	A	I	-2.4778
3	D	I	-3.4211
4	A	I	-2.9984
5	R	I	-3.7815
6	A	I	-3.0975
7	D	I	-3.3380
8	A	I	-2.8279
9	R	I	-3.5252
10	A	I	-2.7048
11	D	I	-2.5892
12	A	I	-2.7351
13	R	I	-3.1640
14	A	I	-2.3288
15	D	I	-3.1024
16	A	I	-1.9613
1	R	J	-2.8930
2	A	J	-3.1661
3	D	J	-3.8632
4	A	J	-3.1626
5	R	J	-4.0122
6	A	J	-3.4894
7	D	J	-3.7223
8	A	J	-3.3120
9	R	J	-3.7108
10	A	J	-3.2392
11	D	J	-3.9128
12	A	J	-3.0744
13	R	J	-3.2996
14	A	J	-2.4915
15	D	J	-2.7801
16	A	J	-1.6316
1	R	K	-2.7888
2	A	K	-2.5104
3	D	K	-3.5011
4	A	K	-3.0963
5	R	K	-3.8055
6	A	K	-3.2854
7	D	K	-3.5036
8	A	K	-3.2455
9	R	K	-3.6707
10	A	K	-2.8745
11	D	K	-2.9959
12	A	K	-2.7883
13	R	K	-3.0134
14	A	K	-2.1482
15	D	K	-2.6597
16	A	K	-1.4834
1	R	L	-2.7510
2	A	L	-2.4323
3	D	L	-3.2816
4	A	L	-3.0055
5	R	L	-3.5408
6	A	L	-3.0651
7	D	L	-3.7089
8	A	L	-3.0124
9	R	L	-3.3148
10	A	L	-3.0045
11	D	L	-3.5568
12	A	L	-3.1752
13	R	L	-3.4545
14	A	L	-2.4117
15	D	L	-2.8172
16	A	L	-1.9632