Project name: fold_rfinf_11_22024_10_30_13_28_model_0

Chain sequence(s)	B: EAAAAAEAAAAAAAAAAAAAAAAAAAALRKKKAEEEKEEAKRIGEL
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                                          (00:01:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:28)

• Minimal score value: -6.7282
• Maximal score value: 0.4782
• Average score: -1.9421
• Total score value: -89.3368

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	E	B	-1.7448
2	A	B	-1.0168
3	A	B	-0.9678
4	A	B	-1.0430
5	A	B	-0.7383
6	A	B	-0.8770
7	E	B	-1.6176
8	A	B	-0.6531
9	A	B	-0.3730
10	A	B	-0.4803
11	A	B	-0.3622
12	A	B	-0.0660
13	A	B	0.0196
14	A	B	0.0511
15	A	B	0.2620
16	A	B	0.2592
17	A	B	0.2637
18	A	B	0.2585
19	A	B	0.2530
20	A	B	0.2551
21	A	B	0.2383
22	A	B	0.3493
23	A	B	-0.0010
24	A	B	0.0378
25	A	B	-0.4036
26	A	B	-1.0668
27	A	B	-1.2406
28	L	B	-1.4483
29	R	B	-3.7687
30	K	B	-4.6003
31	K	B	-4.9793
32	K	B	-5.3965
33	A	B	-5.1597
34	E	B	-6.4240
35	E	B	-6.7282
36	E	B	-6.4544
37	K	B	-6.2471
38	E	B	-6.0040
39	E	B	-5.5575
40	A	B	-3.7853
41	K	B	-4.6511
42	R	B	-3.5799
43	I	B	-0.7395
44	G	B	-1.7395
45	E	B	-2.1474
46	L	B	0.4782