Project name: fold_rfinf_35_22024_10_30_13_30_model_0

Chain sequence(s)	B: AAAARAATEAKIAALKAQAEAAKEQAKNSFLPLKVTLELQAKALEAEAKALEAAL
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                                          (00:01:20)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:21)

• Minimal score value: -4.1461
• Maximal score value: 2.3708
• Average score: -1.1497
• Total score value: -63.2351

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	-0.3635
2	A	B	-0.5050
3	A	B	-0.6254
4	A	B	-0.8219
5	R	B	-1.9889
6	A	B	-1.4033
7	A	B	-1.3522
8	T	B	-1.7146
9	E	B	-2.5180
10	A	B	-1.7168
11	K	B	-2.2640
12	I	B	0.0000
13	A	B	-1.4312
14	A	B	-1.2386
15	L	B	-1.9851
16	K	B	-2.5820
17	A	B	-1.7694
18	Q	B	-2.3596
19	A	B	0.0000
20	E	B	-3.6190
21	A	B	-2.3692
22	A	B	0.0000
23	K	B	-3.7096
24	E	B	-4.1461
25	Q	B	-2.8908
26	A	B	0.0000
27	K	B	-2.9425
28	N	B	-2.1787
29	S	B	-0.1623
30	F	B	2.2576
31	L	B	2.3708
32	P	B	1.6537
33	L	B	1.6107
34	K	B	0.1970
35	V	B	1.2581
36	T	B	0.5420
37	L	B	-0.8290
38	E	B	-1.5212
39	L	B	0.1788
40	Q	B	-1.2170
41	A	B	0.0000
42	K	B	-2.3629
43	A	B	-1.4758
44	L	B	-2.2483
45	E	B	-3.0304
46	A	B	-2.3619
47	E	B	-2.6393
48	A	B	0.0000
49	K	B	-2.6256
50	A	B	-1.3673
51	L	B	-1.3139
52	E	B	-1.7225
53	A	B	-0.4700
54	A	B	0.1317
55	L	B	0.4073