Project name: 43c963bd872b406

Chain sequence(s)	B: SITEQLSWSITLTEEGEQLTLIATSTPESFENREEALKVALSDPVTVVSS
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                                          (00:00:19)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:20)

• Minimal score value: -3.9027
• Maximal score value: 1.7429
• Average score: -0.6341
• Total score value: -31.7058

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	0.5218
2	I	B	1.4108
3	T	B	-0.2771
4	E	B	-1.6146
5	Q	B	-1.2710
6	L	B	0.7920
7	S	B	0.6057
8	W	B	1.3562
9	S	B	0.5487
10	I	B	0.8155
11	T	B	0.0462
12	L	B	-0.5698
13	T	B	-1.3846
14	E	B	-3.0422
15	E	B	-3.0956
16	G	B	-1.9702
17	E	B	-1.9991
18	Q	B	-0.9864
19	L	B	0.7298
20	T	B	1.0377
21	L	B	1.0728
22	I	B	0.6749
23	A	B	1.0018
24	T	B	0.2406
25	S	B	-0.2286
26	T	B	-0.5552
27	P	B	-1.1717
28	E	B	-2.1387
29	S	B	-1.5723
30	F	B	-2.1368
31	E	B	-3.0485
32	N	B	-3.2567
33	R	B	-3.7935
34	E	B	-3.9027
35	E	B	-3.4918
36	A	B	0.0000
37	L	B	-1.7284
38	K	B	-2.1118
39	V	B	-0.2356
40	A	B	-0.4465
41	L	B	0.6727
42	S	B	-0.0368
43	D	B	-1.1401
44	P	B	0.2889
45	V	B	1.7429
46	T	B	1.2189
47	V	B	1.4463
48	V	B	0.9712
49	S	B	-0.7921
50	S	B	-0.9028