Project name: RADA16-I_20

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; M: RADARADARADARADA; L: RADARADARADARADA; O: RADARADARADARADA; N: RADARADARADARADA; P: RADARADARADARADA
Selected Chain(s)	A,C,B,E,D,G,F,I,H,K,J,M,L,O,N,P
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                                          (00:05:32)
[INFO]       Main:     Simulation completed successfully.                                          (00:05:37)

• Minimal score value: -3.769
• Maximal score value: 0.0
• Average score: -2.1253
• Total score value: -544.0808

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	-2.9720
2	A	A	-2.1740
3	D	A	-3.0169
4	A	A	-2.8471
5	R	A	-2.8590
6	A	A	-2.5618
7	D	A	-3.3416
8	A	A	-2.9283
9	R	A	-3.3006
10	A	A	-2.8918
11	D	A	-3.6592
12	A	A	-3.2913
13	R	A	-3.4422
14	A	A	-2.4640
15	D	A	-2.9191
16	A	A	-1.6515
1	R	B	-2.5530
2	A	B	-2.2058
3	D	B	-2.0477
4	A	B	-1.8711
5	R	B	-2.0156
6	A	B	0.0000
7	D	B	-2.0931
8	A	B	-1.7129
9	R	B	-2.4463
10	A	B	0.0000
11	D	B	-2.5266
12	A	B	-2.2998
13	R	B	-3.3090
14	A	B	-2.6655
15	D	B	-3.3156
16	A	B	-2.4295
1	R	C	-2.6065
2	A	C	-2.0762
3	D	C	-2.0084
4	A	C	-1.9399
5	R	C	-2.0775
6	A	C	0.0000
7	D	C	-1.9357
8	A	C	-1.7276
9	R	C	-2.6154
10	A	C	0.0000
11	D	C	-2.4928
12	A	C	-2.2922
13	R	C	-3.0929
14	A	C	-2.4727
15	D	C	-2.7849
16	A	C	-1.4690
1	R	D	-2.5683
2	A	D	-1.8188
3	D	D	-1.9907
4	A	D	-1.9174
5	R	D	-2.0705
6	A	D	0.0000
7	D	D	-2.0037
8	A	D	-1.7445
9	R	D	-2.6385
10	A	D	0.0000
11	D	D	-2.5056
12	A	D	-2.2795
13	R	D	-3.0972
14	A	D	-2.4940
15	D	D	-2.7804
16	A	D	-1.4847
1	R	E	-2.5603
2	A	E	-1.8021
3	D	E	-1.9980
4	A	E	-1.9046
5	R	E	-2.0351
6	A	E	0.0000
7	D	E	-1.9636
8	A	E	-1.6863
9	R	E	-2.5695
10	A	E	0.0000
11	D	E	-2.4222
12	A	E	-2.2261
13	R	E	-3.0484
14	A	E	-2.4440
15	D	E	-2.7538
16	A	E	-1.4614
1	R	F	-2.5721
2	A	F	-1.7900
3	D	F	-1.9566
4	A	F	-1.9192
5	R	F	-2.0374
6	A	F	0.0000
7	D	F	-1.9144
8	A	F	-1.6409
9	R	F	-2.4945
10	A	F	0.0000
11	D	F	-2.3606
12	A	F	-2.1756
13	R	F	-3.0125
14	A	F	-2.4186
15	D	F	-2.7324
16	A	F	-1.4586
1	R	G	-2.5861
2	A	G	-1.7848
3	D	G	-1.9792
4	A	G	-1.9259
5	R	G	-2.0473
6	A	G	0.0000
7	D	G	-1.9402
8	A	G	-1.6674
9	R	G	-2.5290
10	A	G	0.0000
11	D	G	-2.4075
12	A	G	-2.2217
13	R	G	-3.0379
14	A	G	-2.4658
15	D	G	-2.7563
16	A	G	-1.4836
1	R	H	-2.5645
2	A	H	-1.7910
3	D	H	-1.9340
4	A	H	-1.9106
5	R	H	-2.0439
6	A	H	0.0000
7	D	H	-1.9364
8	A	H	-1.7612
9	R	H	-2.5076
10	A	H	0.0000
11	D	H	-2.3730
12	A	H	-2.1892
13	R	H	-3.0212
14	A	H	-2.4572
15	D	H	-2.7529
16	A	H	-1.4717
1	R	I	-2.5433
2	A	I	-1.7328
3	D	I	-1.8784
4	A	I	-1.8556
5	R	I	-1.9992
6	A	I	0.0000
7	D	I	-1.9351
8	A	I	-1.6402
9	R	I	-2.5416
10	A	I	0.0000
11	D	I	-2.4129
12	A	I	-2.2215
13	R	I	-3.0399
14	A	I	-2.4544
15	D	I	-2.7549
16	A	I	-1.4818
1	R	J	-2.5662
2	A	J	-1.8114
3	D	J	-1.9220
4	A	J	-1.8544
5	R	J	-1.9824
6	A	J	0.0000
7	D	J	-1.8687
8	A	J	-1.5707
9	R	J	-2.3588
10	A	J	0.0000
11	D	J	-2.3279
12	A	J	-2.1546
13	R	J	-2.9990
14	A	J	-2.4099
15	D	J	-2.7244
16	A	J	-1.4715
1	R	K	-2.6117
2	A	K	-1.8207
3	D	K	-1.9683
4	A	K	-1.9117
5	R	K	-1.9945
6	A	K	0.0000
7	D	K	-1.8950
8	A	K	-1.7515
9	R	K	-2.4696
10	A	K	0.0000
11	D	K	-2.4150
12	A	K	-2.2197
13	R	K	-3.0491
14	A	K	-2.4299
15	D	K	-2.7561
16	A	K	-1.4967
1	R	L	-2.6373
2	A	L	-2.1073
3	D	L	-2.0218
4	A	L	-1.9232
5	R	L	-2.1425
6	A	L	0.0000
7	D	L	-1.9428
8	A	L	-1.6807
9	R	L	-2.5350
10	A	L	0.0000
11	D	L	-2.4520
12	A	L	-2.2268
13	R	L	-3.0781
14	A	L	-2.4694
15	D	L	-2.7697
16	A	L	-1.4930
1	R	M	-2.5701
2	A	M	-1.9780
3	D	M	-1.9129
4	A	M	-1.8521
5	R	M	-2.0897
6	A	M	0.0000
7	D	M	-1.7056
8	A	M	-1.5605
9	R	M	-2.3287
10	A	M	0.0000
11	D	M	-2.4762
12	A	M	-2.1845
13	R	M	-3.1190
14	A	M	-2.4820
15	D	M	-2.7702
16	A	M	-1.4754
1	R	N	-2.4877
2	A	N	-1.7245
3	D	N	-1.8802
4	A	N	-1.7255
5	R	N	-1.9950
6	A	N	0.0000
7	D	N	-1.8127
8	A	N	-1.6084
9	R	N	-2.2290
10	A	N	0.0000
11	D	N	-2.3628
12	A	N	-2.1903
13	R	N	-3.1496
14	A	N	-2.4680
15	D	N	-2.7558
16	A	N	-1.4936
1	R	O	-2.5306
2	A	O	-2.1632
3	D	O	-2.4569
4	A	O	-2.2259
5	R	O	-3.1133
6	A	O	-2.6950
7	D	O	-2.4521
8	A	O	-2.6172
9	R	O	-3.4645
10	A	O	-3.4670
11	D	O	-3.7690
12	A	O	-2.9948
13	R	O	-3.5770
14	A	O	-2.9774
15	D	O	-2.7767
16	A	O	-1.6127
1	R	P	-3.2620
2	A	P	-2.7664
3	D	P	-3.4231
4	A	P	-2.9378
5	R	P	-3.7004
6	A	P	-3.2663
7	D	P	-3.6231
8	A	P	-3.2264
9	R	P	-3.7517
10	A	P	-3.3055
11	D	P	-3.6997
12	A	P	-3.0710
13	R	P	-3.3355
14	A	P	-2.4985
15	D	P	-2.7731
16	A	P	-1.6731