Project name: fold_rfinf_11_12024_10_30_13_28_model_0

Chain sequence(s)	B: AAAAAAAAAAAAAAAAAAAAAAAAAAAAAKEKAKKEKEEAKKEGLK
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                                          (00:00:58)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:59)

• Minimal score value: -6.2605
• Maximal score value: 0.243
• Average score: -1.7312
• Total score value: -79.6366

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	A	B	0.1439
2	A	B	0.1697
3	A	B	0.1848
4	A	B	0.1974
5	A	B	0.2153
6	A	B	0.2116
7	A	B	0.2132
8	A	B	0.2142
9	A	B	0.2091
10	A	B	0.2158
11	A	B	0.2078
12	A	B	0.1898
13	A	B	0.2050
14	A	B	0.2264
15	A	B	0.1995
16	A	B	0.2114
17	A	B	0.2202
18	A	B	0.2285
19	A	B	0.2285
20	A	B	0.2320
21	A	B	0.2375
22	A	B	0.2430
23	A	B	0.0633
24	A	B	0.0437
25	A	B	-0.3456
26	A	B	-0.7480
27	A	B	-1.2066
28	A	B	-1.6089
29	A	B	-2.2935
30	K	B	-3.8159
31	E	B	-4.2994
32	K	B	-4.8787
33	A	B	-4.5540
34	K	B	-5.7451
35	K	B	-6.0000
36	E	B	-6.2605
37	K	B	-6.2147
38	E	B	-5.7193
39	E	B	-5.7630
40	A	B	-4.7164
41	K	B	-4.9219
42	K	B	-4.4443
43	E	B	-4.3211
44	G	B	-2.7791
45	L	B	-1.3671
46	K	B	-2.3451