Project name: 35ac86095663e3e

Chain sequence(s)	A: RKEKNCPDGYIYSSNTASGYDCGVWICRRVGSAFCSRTGDYTSPSEFDI
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	Yes
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:38)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:38)

• Minimal score value: -4.2659
• Maximal score value: 1.7795
• Average score: -0.7761
• Total score value: -38.0312

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	-3.3862
2	K	A	-4.1471
3	E	A	-4.2659
4	K	A	-3.5057
5	N	A	-2.7241
6	C	A	-1.3947
7	P	A	-1.4693
8	D	A	-1.8376
9	G	A	-0.8029
10	Y	A	-0.1116
11	I	A	0.9540
12	Y	A	0.6114
13	S	A	0.8028
14	S	A	0.5999
15	N	A	-0.7896
16	T	A	-0.5854
17	A	A	-0.7944
18	S	A	-0.7071
19	G	A	-1.1490
20	Y	A	-1.4384
21	D	A	-2.0261
22	C	A	0.0000
23	G	A	0.4164
24	V	A	1.7795
25	W	A	1.6284
26	I	A	1.1614
27	C	A	0.4567
28	R	A	-0.4185
29	R	A	-1.2676
30	V	A	0.3629
31	G	A	-0.2294
32	S	A	-0.3771
33	A	A	-0.1536
34	F	A	0.0476
35	C	A	-0.8254
36	S	A	-1.6347
37	R	A	-2.7121
38	T	A	-1.8804
39	G	A	-1.6884
40	D	A	-1.9712
41	Y	A	-0.1737
42	T	A	-0.4173
43	S	A	-0.5607
44	P	A	-0.3745
45	S	A	-1.0900
46	E	A	-1.4031
47	F	A	0.5918
48	D	A	-0.5490
49	I	A	1.4178