Project name: f9ff8c2bc2a6672

Chain sequence(s)	B: SATMKEIMELAEKMKEYMKKAWEDLSEESEEYLKKAAEYGAKINAIFAAA
Selected Chain(s)	B
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 B 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                                          (00:01:50)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:51)

• Minimal score value: -3.9138
• Maximal score value: 1.6454
• Average score: -1.6211
• Total score value: -81.0574

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	B	-0.5035
2	A	B	-0.7225
3	T	B	-0.4505
4	M	B	-0.4922
5	K	B	-2.2041
6	E	B	-2.5401
7	I	B	0.0000
8	M	B	-1.3200
9	E	B	-3.1512
10	L	B	0.0000
11	A	B	-2.4447
12	E	B	-3.6220
13	K	B	-3.2402
14	M	B	-2.8580
15	K	B	-3.9138
16	E	B	-3.8054
17	Y	B	-2.5849
18	M	B	-1.9214
19	K	B	-2.9214
20	K	B	-2.4980
21	A	B	0.0000
22	W	B	-0.2558
23	E	B	-1.7682
24	D	B	-1.6575
25	L	B	-0.0292
26	S	B	-1.6317
27	E	B	-3.3198
28	E	B	-3.7241
29	S	B	-2.9066
30	E	B	-3.7917
31	E	B	-3.8938
32	Y	B	-2.7131
33	L	B	-1.6454
34	K	B	-3.1411
35	K	B	-2.6131
36	A	B	0.0000
37	A	B	-1.4810
38	E	B	-2.5202
39	Y	B	-2.1407
40	G	B	-1.5297
41	A	B	-1.1467
42	K	B	-1.3404
43	I	B	-0.5611
44	N	B	-0.7106
45	A	B	0.0814
46	I	B	0.7105
47	F	B	1.6454
48	A	B	0.7899
49	A	B	0.7024
50	A	B	0.7284