Project name: 4ffadc1fb8c6e4c

Chain sequence(s)	A: TTVHQKTNKLKSCPDGYTSGVECRFRGYTCANDGCWRVCSFTTCSGWMPASDTYRYEYHVDAW
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:01:02)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:02)

• Minimal score value: -3.0089
• Maximal score value: 1.7549
• Average score: -0.4944
• Total score value: -31.1452

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	A	0.2659
2	T	A	0.3048
3	V	A	0.6254
4	H	A	-1.2555
5	Q	A	-2.1941
6	K	A	-3.0089
7	T	A	-2.2753
8	N	A	-2.4481
9	K	A	-2.2649
10	L	A	-0.3938
11	K	A	-1.5514
12	S	A	-0.8176
13	C	A	-0.8580
14	P	A	-1.3514
15	D	A	-2.2191
16	G	A	-1.4796
17	Y	A	-0.7830
18	T	A	-0.3809
19	S	A	-0.8752
20	G	A	0.0000
21	V	A	-1.0395
22	E	A	-1.0460
23	C	A	0.0000
24	R	A	-0.9985
25	F	A	0.0683
26	R	A	-1.3948
27	G	A	-0.7004
28	Y	A	0.1562
29	T	A	0.1781
30	C	A	0.0000
31	A	A	-0.8974
32	N	A	-1.7988
33	D	A	-2.1135
34	G	A	0.0000
35	C	A	0.0000
36	W	A	-0.1128
37	R	A	-0.9663
38	V	A	1.1493
39	C	A	0.5636
40	S	A	0.8993
41	F	A	1.7549
42	T	A	0.8682
43	T	A	0.6442
44	C	A	0.8069
45	S	A	0.2386
46	G	A	0.1796
47	W	A	0.8908
48	M	A	0.3194
49	P	A	-0.3711
50	A	A	-0.6256
51	S	A	-0.5910
52	D	A	-1.3162
53	T	A	-0.7513
54	Y	A	-0.7256
55	R	A	-1.4033
56	Y	A	-0.0258
57	E	A	-1.1100
58	Y	A	0.3595
59	H	A	-0.4381
60	V	A	0.7205
61	D	A	-0.6921
62	A	A	0.1860
63	W	A	0.9502