Project name: fold_rfinf_31_22024_10_30_13_29_model_2

Chain sequence(s)	B: SFSELLSLAKLSNLKEKVEEAEKEGTLTEELKKKYEEAKKEFEEKEKEKEEKKK
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]                                                (00:00:01)
[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 B 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                                          (00:03:00)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:01)

• Minimal score value: -6.0431
• Maximal score value: 2.7598
• Average score: -2.9228
• Total score value: -157.8331

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	0.9664
2	F	B	2.6800
3	S	B	1.6810
4	E	B	0.7304
5	L	B	2.7598
6	L	B	2.3818
7	S	B	0.0000
8	L	B	0.6907
9	A	B	0.0212
10	K	B	-1.7303
11	L	B	0.0000
12	S	B	-1.9593
13	N	B	-3.1966
14	L	B	0.0000
15	K	B	-3.8995
16	E	B	-4.7297
17	K	B	-4.5021
18	V	B	0.0000
19	E	B	-4.9492
20	E	B	-5.2590
21	A	B	0.0000
22	E	B	-4.7981
23	K	B	-4.6796
24	E	B	-4.0504
25	G	B	-2.8638
26	T	B	-1.9083
27	L	B	-2.4593
28	T	B	-2.0128
29	E	B	-3.4409
30	E	B	-3.7859
31	L	B	-3.1095
32	K	B	-3.9148
33	K	B	-4.5564
34	K	B	-4.2123
35	Y	B	-4.2014
36	E	B	-4.0759
37	E	B	-4.4867
38	A	B	0.0000
39	K	B	-4.0243
40	K	B	-4.7516
41	E	B	-4.4345
42	F	B	-3.5789
43	E	B	-5.1129
44	E	B	-5.4103
45	K	B	-4.6878
46	E	B	-5.0585
47	K	B	-5.9284
48	E	B	-6.0431
49	K	B	-5.7011
50	E	B	-5.6484
51	E	B	-5.8510
52	K	B	-5.4591
53	K	B	-4.9956
54	K	B	-4.2771