Project name: fold_rfinf_37_22024_10_30_14_46_model_4

Chain sequence(s)	B: GVKEREELKKKAAELEAAKAAAEAAGDKAKAEALKAAATKAKVEYLLLS
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                                          (00:01:34)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:35)

• Minimal score value: -5.1802
• Maximal score value: 2.3331
• Average score: -2.0138
• Total score value: -98.6759

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	G	B	-1.0719
2	V	B	-0.4774
3	K	B	-3.1552
4	E	B	-3.7464
5	R	B	-3.1728
6	E	B	-4.3075
7	E	B	-4.9548
8	L	B	-4.2279
9	K	B	-4.7952
10	K	B	-5.1802
11	K	B	-4.6888
12	A	B	0.0000
13	A	B	-3.2978
14	E	B	-3.5435
15	L	B	-2.9391
16	E	B	-3.1465
17	A	B	-1.9460
18	A	B	-1.6597
19	K	B	-2.8872
20	A	B	-1.7430
21	A	B	-1.1204
22	A	B	0.0000
23	E	B	-3.3402
24	A	B	-1.3137
25	A	B	-1.4298
26	G	B	-2.0814
27	D	B	-2.9916
28	K	B	-3.7769
29	A	B	-2.7498
30	K	B	-3.3057
31	A	B	0.0000
32	E	B	-3.5120
33	A	B	-1.8646
34	L	B	-2.5024
35	K	B	-3.0680
36	A	B	-1.9175
37	A	B	-1.6549
38	A	B	0.0000
39	T	B	-1.7783
40	K	B	-2.1563
41	A	B	0.0000
42	K	B	-1.9178
43	V	B	0.0492
44	E	B	-0.9924
45	Y	B	-1.1154
46	L	B	1.5919
47	L	B	2.3331
48	L	B	1.9149
49	S	B	0.9650