Project name: fde0aff7b615f32

Chain sequence(s)	B: TSTRFRYQSLDSSGNVLSSQDHTIVGPPAIANVSISRVSPSTVQVTLTLL
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                                          (00:00:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:17)

• Minimal score value: -3.7512
• Maximal score value: 1.9766
• Average score: -0.0231
• Total score value: -1.1574

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	T	B	0.1974
2	S	B	0.0909
3	T	B	-0.6187
4	R	B	-2.3629
5	F	B	-2.2434
6	R	B	-3.2905
7	Y	B	-1.6624
8	Q	B	-0.9106
9	S	B	0.3274
10	L	B	1.1665
11	D	B	-0.0540
12	S	B	-0.5238
13	S	B	-0.6845
14	G	B	-0.5158
15	N	B	-0.3661
16	V	B	1.4665
17	L	B	1.8057
18	S	B	0.4804
19	S	B	-1.2023
20	Q	B	-2.9210
21	D	B	-3.7512
22	H	B	-2.4730
23	T	B	-1.1834
24	I	B	0.3767
25	V	B	1.2822
26	G	B	0.6171
27	P	B	0.4837
28	P	B	0.3364
29	A	B	0.9710
30	I	B	1.5568
31	A	B	0.8958
32	N	B	0.0542
33	V	B	1.4706
34	S	B	1.0126
35	I	B	1.8513
36	S	B	0.1728
37	R	B	-0.7223
38	V	B	0.8834
39	S	B	-0.0107
40	P	B	-0.3069
41	S	B	-0.2377
42	T	B	-0.1377
43	V	B	0.2706
44	Q	B	-0.2093
45	V	B	0.8825
46	T	B	0.6608
47	L	B	1.1663
48	T	B	0.9806
49	L	B	1.7940
50	L	B	1.9766