Project name: CROSS_BETA_B

Chain sequence(s)	a: HLCGSHLVEALYLVCGERGFFYT; A: QCCTSICSLYQLENYC; c: HLCGSHLVEALYLVCGERGFFYT; e: HLCGSHLVEALYLVCGERGFFYT; G: QCCTSICSLYQLENYC; g: HLCGSHLVEALYLVCGERGFFYT; i: HLCGSHLVEALYLVCGERGFFYT; m: HLCGSHLVEALYLVCGERGFFYT; k: HLCGSHLVEALYLVCGERGFFYT; M: QCCTSICSLYQLENYC; C: QCCTSICSLYQLENYC; o: HLCGSHLVEALYLVCGERGFFYT; I: QCCTSICSLYQLENYC; O: QCCTSICSLYQLENYC; E: QCCTSICSLYQLENYC; K: QCCTSICSLYQLENYC
Selected Chain(s)	a,A,c,e,G,g,i,M,k,m,C,o,I,O,E,K
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                                          (00:02:24)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:28)

• Minimal score value: -3.0049
• Maximal score value: 2.3057
• Average score: -0.0299
• Total score value: -9.3275

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
5	H	o	-1.7012
6	L	o	0.0000
7	C	o	0.0000
8	G	o	-1.0130
9	S	o	-0.8827
10	H	o	-1.0265
11	L	o	0.0000
12	V	o	0.9339
13	E	o	0.0000
14	A	o	0.7627
15	L	o	0.0000
16	Y	o	1.4157
17	L	o	0.0000
18	V	o	1.0604
19	C	o	0.0000
20	G	o	-1.3428
21	E	o	-2.4877
22	R	o	-2.3687
23	G	o	-0.7030
24	F	o	1.2614
25	F	o	0.0000
26	Y	o	1.7904
27	T	o	0.7718
5	H	m	-1.2465
6	L	m	-0.3070
7	C	m	-0.2724
8	G	m	-0.7325
9	S	m	-0.7055
10	H	m	-0.8445
11	L	m	0.3710
12	V	m	1.5100
13	E	m	0.6190
14	A	m	0.7949
15	L	m	1.0868
16	Y	m	2.0229
17	L	m	0.0000
18	V	m	1.8639
19	C	m	0.0000
20	G	m	-1.2270
21	E	m	-3.0049
22	R	m	-2.8564
23	G	m	-0.9230
24	F	m	1.7695
25	F	m	1.6795
26	Y	m	2.3057
27	T	m	1.0965
5	H	k	-1.6739
6	L	k	0.0000
7	C	k	0.0000
8	G	k	0.0000
9	S	k	-0.7143
10	H	k	-1.1120
11	L	k	0.0000
12	V	k	0.5668
13	E	k	0.0000
14	A	k	0.4191
15	L	k	0.0000
16	Y	k	0.7811
17	L	k	0.0000
18	V	k	0.7896
19	C	k	0.0000
20	G	k	0.0000
21	E	k	-1.4780
22	R	k	-1.2288
23	G	k	-0.2892
24	F	k	0.9085
25	F	k	0.0000
26	Y	k	1.1194
27	T	k	0.4284
5	H	i	-1.8066
6	L	i	-1.0878
7	C	i	0.0000
8	G	i	-1.0290
9	S	i	-0.7166
10	H	i	-1.0093
11	L	i	0.0000
12	V	i	0.7166
13	E	i	0.0000
14	A	i	0.4209
15	L	i	0.0000
16	Y	i	0.8702
17	L	i	0.0000
18	V	i	0.8580
19	C	i	0.0000
20	G	i	0.0000
21	E	i	-1.7019
22	R	i	-1.6264
23	G	i	-0.4019
24	F	i	0.9737
25	F	i	0.0000
26	Y	i	1.2078
27	T	i	0.4314
5	H	g	-1.8325
6	L	g	0.0000
7	C	g	0.0000
8	G	g	-0.9643
9	S	g	-0.6053
10	H	g	-0.9063
11	L	g	0.0000
12	V	g	0.6189
13	E	g	0.0000
14	A	g	0.3797
15	L	g	0.0000
16	Y	g	0.9755
17	L	g	0.0000
18	V	g	0.8939
19	C	g	0.0000
20	G	g	-0.9716
21	E	g	-2.2338
22	R	g	-2.0560
23	G	g	0.0000
24	F	g	0.8727
25	F	g	0.0000
26	Y	g	1.1778
27	T	g	0.4922
5	H	e	-1.8716
6	L	e	0.0000
7	C	e	0.0000
8	G	e	0.0000
9	S	e	-0.7220
10	H	e	-1.0725
11	L	e	0.0000
12	V	e	0.6549
13	E	e	0.0000
14	A	e	0.4672
15	L	e	0.0000
16	Y	e	0.8231
17	L	e	0.0000
18	V	e	0.7874
19	C	e	0.0000
20	G	e	-0.8016
21	E	e	-1.7263
22	R	e	-1.4568
23	G	e	-0.4675
24	F	e	0.8168
25	F	e	0.0000
26	Y	e	1.1076
27	T	e	0.4248
5	H	c	-1.1547
6	L	c	-0.4748
7	C	c	-0.3605
8	G	c	-0.7192
9	S	c	-0.6487
10	H	c	-0.8418
11	L	c	-0.1688
12	V	c	0.2614
13	E	c	-0.8098
14	A	c	0.0557
15	L	c	1.1947
16	Y	c	2.0493
17	L	c	2.0588
18	V	c	1.8400
19	C	c	0.5901
20	G	c	-1.2655
21	E	c	-2.7123
22	R	c	-2.7290
23	G	c	-0.4712
24	F	c	1.9900
25	F	c	1.6435
26	Y	c	2.2112
27	T	c	0.9787
5	H	a	-1.5899
6	L	a	0.0000
7	C	a	0.0000
8	G	a	0.0000
9	S	a	-0.6043
10	H	a	-0.6990
11	L	a	0.0000
12	V	a	0.3437
13	E	a	0.0000
14	A	a	0.3263
15	L	a	0.0000
16	Y	a	1.5560
17	L	a	0.0000
18	V	a	1.3997
19	C	a	0.0000
20	G	a	-1.2983
21	E	a	-2.6251
22	R	a	-2.3393
23	G	a	-0.7596
24	F	a	1.1122
25	F	a	0.0000
26	Y	a	1.6914
27	T	a	0.7046
5	Q	O	-2.0389
6	C	O	0.0000
7	C	O	0.0000
8	T	O	0.0000
9	S	O	0.0000
10	I	O	0.0000
11	C	O	0.0000
12	S	O	-0.1031
13	L	O	0.0000
14	Y	O	0.9642
15	Q	O	-0.0359
16	L	O	0.0000
17	E	O	-0.8659
18	N	O	0.0000
19	Y	O	1.0825
20	C	O	0.7725
5	Q	M	-1.5595
6	C	M	-0.4770
7	C	M	-0.0884
8	T	M	0.5531
9	S	M	0.3484
10	I	M	0.6921
11	C	M	0.4826
12	S	M	0.2471
13	L	M	1.1205
14	Y	M	1.3717
15	Q	M	-0.1749
16	L	M	-0.5988
17	E	M	-1.6802
18	N	M	0.1282
19	Y	M	1.4195
20	C	M	1.3582
5	Q	K	-1.7074
6	C	K	0.0000
7	C	K	0.0000
8	T	K	0.0000
9	S	K	0.0000
10	I	K	0.0000
11	C	K	0.0000
12	S	K	-0.3733
13	L	K	0.0000
14	Y	K	0.6225
15	Q	K	-0.0130
16	L	K	0.0000
17	E	K	-0.2865
18	N	K	0.0000
19	Y	K	0.8612
20	C	K	0.5788
5	Q	I	-1.8340
6	C	I	0.0000
7	C	I	0.0000
8	T	I	0.0000
9	S	I	0.0000
10	I	I	0.0000
11	C	I	0.0000
12	S	I	-0.3963
13	L	I	0.0000
14	Y	I	0.7776
15	Q	I	-0.0576
16	L	I	0.0000
17	E	I	-0.5569
18	N	I	0.0000
19	Y	I	0.9234
20	C	I	0.5795
5	Q	G	-1.8045
6	C	G	0.0000
7	C	G	0.0000
8	T	G	0.0000
9	S	G	0.0000
10	I	G	0.0000
11	C	G	0.0000
12	S	G	-0.3822
13	L	G	0.0000
14	Y	G	0.6909
15	Q	G	-0.1295
16	L	G	0.0000
17	E	G	-0.3800
18	N	G	0.0000
19	Y	G	1.0605
20	C	G	0.7311
5	Q	E	-1.7252
6	C	E	0.0000
7	C	E	0.0000
8	T	E	0.0000
9	S	E	0.0000
10	I	E	0.0000
11	C	E	0.0000
12	S	E	-0.3884
13	L	E	0.0000
14	Y	E	0.6150
15	Q	E	0.0028
16	L	E	0.0000
17	E	E	0.0000
18	N	E	0.0000
19	Y	E	0.9098
20	C	E	0.6365
5	Q	C	-1.5075
6	C	C	-0.7362
7	C	C	0.0000
8	T	C	0.0519
9	S	C	0.0138
10	I	C	0.2578
11	C	C	-0.0232
12	S	C	0.0162
13	L	C	0.9117
14	Y	C	1.1521
15	Q	C	-0.5439
16	L	C	-0.5334
17	E	C	-0.9692
18	N	C	0.8031
19	Y	C	1.8053
20	C	C	1.2446
5	Q	A	-1.8604
6	C	A	0.0000
7	C	A	0.0000
8	T	A	0.0000
9	S	A	0.0000
10	I	A	0.0000
11	C	A	0.0000
12	S	A	-0.0350
13	L	A	0.0000
14	Y	A	0.7445
15	Q	A	-0.1888
16	L	A	0.0000
17	E	A	-0.6069
18	N	A	0.0000
19	Y	A	1.1877
20	C	A	0.9891