Project name: fold_rfinf_37_12024_10_30_14_46_model_0

Chain sequence(s)	B: SVEELEKTKKEAEKLKEEMKKAEEAGDKEKAEELKKAATKAKVESSLLS
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                                          (00:02:14)
[INFO]       Main:     Simulation completed successfully.                                          (00:02:14)

• Minimal score value: -5.5022
• Maximal score value: 1.6606
• Average score: -3.2134
• Total score value: -157.4567

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	-0.5075
2	V	B	0.1948
3	E	B	-2.4809
4	E	B	-2.8613
5	L	B	-1.2787
6	E	B	-3.3068
7	K	B	-4.4156
8	T	B	-3.5646
9	K	B	-4.4015
10	K	B	-5.1291
11	E	B	-4.9110
12	A	B	-4.2819
13	E	B	-5.3141
14	K	B	-5.2251
15	L	B	-3.6688
16	K	B	-4.7319
17	E	B	-5.5022
18	E	B	-4.7727
19	M	B	-3.3888
20	K	B	-4.9195
21	K	B	-5.1014
22	A	B	-3.8416
23	E	B	-5.0206
24	E	B	-5.4049
25	A	B	-4.0444
26	G	B	-4.4673
27	D	B	-5.4983
28	K	B	-5.2956
29	E	B	-5.3223
30	K	B	-4.8321
31	A	B	-3.9695
32	E	B	-4.6803
33	E	B	-4.3537
34	L	B	-2.1522
35	K	B	-3.5652
36	K	B	-3.9031
37	A	B	-2.3937
38	A	B	-2.1916
39	T	B	-2.4679
40	K	B	-2.8514
41	A	B	-1.7719
42	K	B	-2.0746
43	V	B	-0.5150
44	E	B	-0.9409
45	S	B	-0.4146
46	S	B	0.1412
47	L	B	1.6364
48	L	B	1.6606
49	S	B	0.6464