Project name: solublempnn

Chain sequence(s)	A: SNEDKYEKQKEFIKSSKEDTAAFYREAGLFYKSWGDNDEATEYFDKALSFELDQETRDAIESLRPQ
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                                          (00:01:56)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -4.7472
• Maximal score value: 0.2579
• Average score: -1.9883
• Total score value: -131.2291

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	-2.2907
2	N	A	-3.6339
3	E	A	-4.3913
4	D	A	-4.6976
5	K	A	-4.6653
6	Y	A	-3.7437
7	E	A	-4.7472
8	K	A	-4.6168
9	Q	A	-3.0837
10	K	A	-3.0646
11	E	A	-3.3468
12	F	A	-1.2935
13	I	A	0.0000
14	K	A	-2.6289
15	S	A	-1.8332
16	S	A	-2.1947
17	K	A	-3.1442
18	E	A	-3.3807
19	D	A	-2.9391
20	T	A	-1.5569
21	A	A	0.0000
22	A	A	-0.9797
23	F	A	-1.3185
24	Y	A	0.0000
25	R	A	-1.4984
26	E	A	-1.6544
27	A	A	0.0000
28	G	A	0.0000
29	L	A	-0.4653
30	F	A	-0.5121
31	Y	A	0.0000
32	K	A	-1.5216
33	S	A	-0.5170
34	W	A	-0.5966
35	G	A	-1.4577
36	D	A	-2.1734
37	N	A	-3.1652
38	D	A	-3.4210
39	E	A	-2.9718
40	A	A	0.0000
41	T	A	-3.0768
42	E	A	-3.4196
43	Y	A	-2.4371
44	F	A	0.0000
45	D	A	-2.8885
46	K	A	-2.3523
47	A	A	0.0000
48	L	A	-0.9555
49	S	A	-0.3810
50	F	A	0.2579
51	E	A	-0.8366
52	L	A	-0.1599
53	D	A	-1.7770
54	Q	A	-3.0771
55	E	A	-3.5033
56	T	A	0.0000
57	R	A	-3.5240
58	D	A	-3.8488
59	A	A	0.0000
60	I	A	-2.7197
61	E	A	-2.7043
62	S	A	-1.9918
63	L	A	-2.0546
64	R	A	-2.7247
65	P	A	-1.7892
66	Q	A	-1.7597