Project name: fold_rfinf_24_22024_10_30_13_29_model_0

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

• Minimal score value: -7.3666
• Maximal score value: -0.2252
• Average score: -5.8916
• Total score value: -194.4232

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	-0.6904
2	Y	B	-0.2252
3	M	B	-1.1567
4	K	B	-3.6270
5	K	B	-4.5201
6	R	B	-5.0505
7	E	B	-6.0237
8	E	B	-6.6179
9	R	B	-7.1088
10	E	B	-7.1468
11	K	B	-7.3205
12	K	B	-7.3156
13	E	B	-7.2094
14	K	B	-7.2236
15	E	B	-7.3666
16	K	B	-7.1681
17	K	B	-6.8780
18	K	B	-6.9846
19	E	B	-7.0897
20	E	B	-6.7773
21	K	B	-6.4250
22	E	B	-6.7028
23	K	B	-6.4750
24	A	B	-5.5915
25	K	B	-6.5116
26	K	B	-6.6856
27	E	B	-6.8071
28	E	B	-6.8106
29	E	B	-6.6003
30	E	B	-6.3935
31	K	B	-5.9953
32	K	B	-5.3872
33	K	B	-4.5372