Project name: 647e2cea8f56f7e

Chain sequence(s)	A: MSRRNTDAITIHSILDWIEDNLESPLSLEKVSERSGYSKWHLQRMFKKETGHSLGQY
Selected Chain(s)	A
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 A 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                                          (00:01:17)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:18)

• Minimal score value: -3.8138
• Maximal score value: 0.8403
• Average score: -1.4561
• Total score value: -82.9998

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	M	A	0.0022
2	S	A	-1.5057
3	R	A	-3.0065
4	R	A	-3.1782
5	N	A	-2.1321
6	T	A	-1.2181
7	D	A	-1.6645
8	A	A	-1.0876
9	I	A	0.8403
10	T	A	0.1574
11	I	A	0.0000
12	H	A	-0.8724
13	S	A	-0.7783
14	I	A	0.0000
15	L	A	-1.2797
16	D	A	-2.9148
17	W	A	-1.7460
18	I	A	0.0000
19	E	A	-2.6568
20	D	A	-2.8656
21	N	A	-1.5920
22	L	A	-0.3741
23	E	A	-1.6703
24	S	A	-0.7719
25	P	A	-0.3632
26	L	A	-0.2388
27	S	A	-0.7598
28	L	A	-1.3689
29	E	A	-2.7127
30	K	A	-3.1063
31	V	A	0.0000
32	S	A	-2.5426
33	E	A	-3.7045
34	R	A	-3.3332
35	S	A	-2.0505
36	G	A	-1.7128
37	Y	A	-0.7098
38	S	A	-0.7376
39	K	A	-1.4114
40	W	A	0.0174
41	H	A	-0.8669
42	L	A	0.0000
43	Q	A	-1.9149
44	R	A	-3.1590
45	M	A	0.0000
46	F	A	0.0000
47	K	A	-3.7592
48	K	A	-3.8138
49	E	A	-3.1382
50	T	A	-1.9526
51	G	A	-2.3492
52	H	A	-2.4958
53	S	A	-2.0125
54	L	A	-0.9104
55	G	A	-0.6901
56	Q	A	-1.1358
57	Y	A	0.2480