Project name: fold_rfinf_35_12024_10_30_13_30_model_0

Chain sequence(s)	B: KKEEIEKKKKEIAKLKAEAEEAKEKAKNSALPLKVELDLKAKELEKKAKELEEEL
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                                          (00:03:18)
[INFO]       Main:     Simulation completed successfully.                                          (00:03:18)

• Minimal score value: -5.474
• Maximal score value: 1.3519
• Average score: -2.8735
• Total score value: -158.0434

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	K	B	-3.9595
2	K	B	-4.4194
3	E	B	-5.0465
4	E	B	-5.0070
5	I	B	-4.0511
6	E	B	-4.9973
7	K	B	-5.4740
8	K	B	-4.8150
9	K	B	-4.7287
10	K	B	-4.8849
11	E	B	-4.5656
12	I	B	0.0000
13	A	B	-3.0100
14	K	B	-3.4732
15	L	B	-3.2843
16	K	B	-3.1014
17	A	B	-2.6158
18	E	B	-3.0841
19	A	B	0.0000
20	E	B	-4.5582
21	E	B	-4.4596
22	A	B	0.0000
23	K	B	-4.4821
24	E	B	-5.0642
25	K	B	-4.2466
26	A	B	0.0000
27	K	B	-3.5153
28	N	B	-2.8498
29	S	B	-1.1614
30	A	B	0.4062
31	L	B	1.3519
32	P	B	0.8127
33	L	B	0.6372
34	K	B	-0.6336
35	V	B	0.6492
36	E	B	-0.9710
37	L	B	-1.9690
38	D	B	-2.1822
39	L	B	-0.8412
40	K	B	-2.6907
41	A	B	0.0000
42	K	B	-3.8829
43	E	B	-3.8419
44	L	B	-3.6870
45	E	B	-3.9507
46	K	B	-4.7157
47	K	B	-4.2611
48	A	B	0.0000
49	K	B	-4.6080
50	E	B	-4.6015
51	L	B	-3.9993
52	E	B	-4.6842
53	E	B	-4.2106
54	E	B	-3.3634
55	L	B	-1.9516