Project name: 80689794cbf4674

Chain sequence(s)	B: SLTSQVSWSITLTEEKEVLTLIATSTRESFKNREEAEKVALSDPVTVVSA
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                                          (00:00:40)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:40)

• Minimal score value: -4.1415
• Maximal score value: 1.9191
• Average score: -0.6654
• Total score value: -33.2676

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	0.4974
2	L	B	1.3578
3	T	B	0.2497
4	S	B	-0.0905
5	Q	B	-0.4106
6	V	B	1.2986
7	S	B	0.6814
8	W	B	1.0377
9	S	B	0.4842
10	I	B	1.0510
11	T	B	0.2709
12	L	B	-0.0340
13	T	B	-1.3541
14	E	B	-2.8497
15	E	B	-3.1680
16	K	B	-2.2871
17	E	B	-0.9486
18	V	B	1.6795
19	L	B	1.8864
20	T	B	1.3033
21	L	B	0.8866
22	I	B	0.0178
23	A	B	0.5621
24	T	B	-0.4128
25	S	B	-0.6043
26	T	B	-1.3974
27	R	B	-2.7743
28	E	B	-2.9014
29	S	B	-1.7581
30	F	B	-2.1815
31	K	B	-2.6953
32	N	B	-3.0861
33	R	B	-3.9740
34	E	B	-4.1415
35	E	B	-3.2041
36	A	B	0.0000
37	E	B	-3.4998
38	K	B	-2.9073
39	V	B	-1.0404
40	A	B	-1.1729
41	L	B	0.4345
42	S	B	-0.5102
43	D	B	-1.6566
44	P	B	-0.6671
45	V	B	0.6388
46	T	B	1.2614
47	V	B	1.9191
48	V	B	1.7940
49	S	B	-0.3290
50	A	B	-0.5231