Project name: aggstab

Chain sequence(s)	A: SKEAEFQAGKEAIENSTEDSAAFYENAGKFYAKYGENDLANEYFDKALSYPMSAEEKAKIEALKPK
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]                                                (00:00:00)
[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 A 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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -3.4508
• Maximal score value: 0.0
• Average score: -1.8931
• Total score value: -124.9423

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	S	A	-2.1683
2	K	A	-3.3713
3	E	A	-3.4275
4	A	A	-2.6419
5	E	A	-3.4508
6	F	A	-2.7269
7	Q	A	-2.7258
8	A	A	-2.0877
9	G	A	-1.9437
10	K	A	-2.3111
11	E	A	-3.0904
12	A	A	-1.8527
13	I	A	-2.0772
14	E	A	-3.0448
15	N	A	-2.7921
16	S	A	-2.2525
17	T	A	-1.9056
18	E	A	-2.9843
19	D	A	-2.7017
20	S	A	-1.5556
21	A	A	-1.0238
22	A	A	-0.7162
23	F	A	-1.2637
24	Y	A	-1.6439
25	E	A	-1.6993
26	N	A	-1.4148
27	A	A	0.0000
28	G	A	0.0000
29	K	A	-1.5926
30	F	A	-1.1797
31	Y	A	0.0000
32	A	A	-1.9200
33	K	A	-2.0603
34	Y	A	-1.8113
35	G	A	-1.7695
36	E	A	-2.1078
37	N	A	-3.2315
38	D	A	-3.2074
39	L	A	-2.0654
40	A	A	0.0000
41	N	A	-3.2974
42	E	A	-3.3316
43	Y	A	0.0000
44	F	A	0.0000
45	D	A	-3.1434
46	K	A	-2.3288
47	A	A	0.0000
48	L	A	-1.5807
49	S	A	-0.7867
50	Y	A	-0.3927
51	P	A	-0.2280
52	M	A	-0.6319
53	S	A	-1.3457
54	A	A	-1.7245
55	E	A	-3.1659
56	E	A	-3.1828
57	K	A	-2.7773
58	A	A	-2.5726
59	K	A	-3.1481
60	I	A	0.0000
61	E	A	-2.8887
62	A	A	-1.3182
63	L	A	-0.7361
64	K	A	-2.2650
65	P	A	-2.1011
66	K	A	-2.1760