Project name: fold_rfinf_27_12024_10_30_13_29_model_0

Chain sequence(s)	B: LEKALEEAKKNAKTPVSKMKAIILEEELNREKEE
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                                          (00:01:29)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:30)

• Minimal score value: -5.6269
• Maximal score value: 0.7863
• Average score: -2.5729
• Total score value: -87.4776

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	L	B	-1.3498
2	E	B	-2.9422
3	K	B	-3.4271
4	A	B	-2.7151
5	L	B	-3.1005
6	E	B	-4.6633
7	E	B	-4.3153
8	A	B	0.0000
9	K	B	-4.6438
10	K	B	-4.3144
11	N	B	-3.5142
12	A	B	-3.0343
13	K	B	-2.5903
14	T	B	-0.9345
15	P	B	-0.2857
16	V	B	0.7863
17	S	B	-1.1998
18	K	B	-1.6550
19	M	B	0.4599
20	K	B	-0.6312
21	A	B	0.0000
22	I	B	-0.0471
23	I	B	0.2390
24	L	B	-1.3526
25	E	B	-2.6110
26	E	B	-3.1651
27	E	B	-3.2780
28	L	B	-3.2971
29	N	B	-4.3995
30	R	B	-5.6269
31	E	B	-5.3734
32	K	B	-5.1376
33	E	B	-4.9585
34	E	B	-4.3995