Project name: Design14_0_1

Chain sequence(s)	D: EQPLVLTLLTDASGRKWIVATAREENAPALEALAKKRGPPEHSYSGNRDA; F: QGAIEVGRTLLWPATPEDAELLAQPPTPLAVNGSVNVNIGT
Selected Chain(s)	D,F
Distance of aggregation	5 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                                          (00:00:46)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:47)

• Minimal score value: -2.4076
• Maximal score value: 1.7028
• Average score: -0.3121
• Total score value: -28.4053

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	E	D	-1.9916
2	Q	D	-1.2727
3	P	D	-0.4111
4	L	D	0.3930
5	V	D	1.6610
6	L	D	1.0614
7	T	D	0.2084
8	L	D	0.5764
9	L	D	1.1055
10	T	D	-0.1815
11	D	D	-0.7072
12	A	D	-0.1036
13	S	D	-0.2509
14	G	D	-0.4636
15	R	D	-1.1033
16	K	D	-1.3117
17	W	D	0.0421
18	I	D	0.0000
19	V	D	0.2148
20	A	D	0.0000
21	T	D	0.1408
22	A	D	0.0000
23	R	D	-1.7982
24	E	D	-2.4076
25	E	D	-2.1873
26	N	D	-0.5781
27	A	D	-0.0818
28	P	D	-0.4029
29	A	D	-0.0297
30	L	D	0.0000
31	E	D	-1.5143
32	A	D	-0.1990
33	L	D	0.2898
34	A	D	-0.4001
35	K	D	-2.0049
36	K	D	-2.1380
37	R	D	-1.0645
38	G	D	-0.3216
39	P	D	-0.2916
40	P	D	-0.3211
41	E	D	-1.2489
42	H	D	-0.9284
43	S	D	-0.0921
44	Y	D	1.2365
45	S	D	-0.0568
46	G	D	-0.7171
47	N	D	-1.6435
48	R	D	-2.3447
49	D	D	-2.0868
50	A	D	-0.2495
1	Q	F	-1.2772
2	G	F	-0.6588
3	A	F	0.2638
4	I	F	1.3121
5	E	F	-1.3670
6	V	F	0.6930
7	G	F	-0.4324
8	R	F	-0.6957
9	T	F	-0.1307
10	L	F	0.0000
11	L	F	0.2080
12	W	F	0.0000
13	P	F	-0.0526
14	A	F	0.0078
15	T	F	-0.0684
16	P	F	-0.5775
17	E	F	-1.8949
18	D	F	-0.4813
19	A	F	-0.3393
20	E	F	-1.5442
21	L	F	1.2926
22	L	F	0.6573
23	A	F	-0.0859
24	Q	F	-1.2333
25	P	F	-0.5118
26	P	F	-0.3131
27	T	F	-0.1615
28	P	F	0.0332
29	L	F	1.5077
30	A	F	0.6299
31	V	F	1.5515
32	N	F	-1.0337
33	G	F	-0.7301
34	S	F	0.0085
35	V	F	1.5260
36	N	F	-0.6832
37	V	F	1.3623
38	N	F	-0.6383
39	I	F	1.7028
40	G	F	-0.1228
41	T	F	-0.1521