Project name: fold_rfinf_12_12024_10_30_13_28_model_2

Chain sequence(s)	B: SAAAKAAADRLGAGLLADSKEKAEEQAKELKERLEEE
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                                          (00:01:55)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:56)

• Minimal score value: -5.5245
• Maximal score value: 0.9325
• Average score: -2.4399
• Total score value: -90.276

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	-0.5884
2	A	B	-0.6679
3	A	B	-0.5272
4	A	B	-1.1027
5	K	B	-2.1822
6	A	B	-1.4318
7	A	B	-1.0853
8	A	B	-0.6437
9	D	B	-1.2630
10	R	B	-1.3223
11	L	B	0.9325
12	G	B	0.3406
13	A	B	-0.0424
14	G	B	-0.0274
15	L	B	0.7667
16	L	B	0.3333
17	A	B	-1.5504
18	D	B	-2.8574
19	S	B	-2.5115
20	K	B	-3.6919
21	E	B	-4.9867
22	K	B	-5.0310
23	A	B	-4.0334
24	E	B	-5.3372
25	E	B	-5.5245
26	Q	B	-4.4491
27	A	B	-3.7191
28	K	B	-4.7554
29	E	B	-4.3191
30	L	B	-2.4618
31	K	B	-3.9026
32	E	B	-4.6000
33	R	B	-4.0289
34	L	B	-2.2851
35	E	B	-4.0954
36	E	B	-4.2709
37	E	B	-3.3534