Project name: 8460f9dc79713f3

Chain sequence(s)	A: TIVHQETSRRGPDGYSWICECSSGTYTCDADNCGNLCPSDWQLTLHCHRLDSSTYTYDWHVETW
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]                                                (00:00:02)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:02)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:02)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:02)
[INFO]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:51)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:52)

• Minimal score value: -3.5941
• Maximal score value: 2.4039
• Average score: -0.7889
• Total score value: -50.4896

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	1.2580
2	I	A	2.4039
3	V	A	1.6424
4	H	A	-0.7281
5	Q	A	-1.8341
6	E	A	-3.0804
7	T	A	-2.3479
8	S	A	-2.7715
9	R	A	-3.2539
10	R	A	-3.4551
11	G	A	-2.3879
12	P	A	-2.0300
13	D	A	-2.2050
14	G	A	-1.1137
15	Y	A	-1.0262
16	S	A	-0.5821
17	W	A	-0.7839
18	I	A	-0.0437
19	C	A	0.0000
20	E	A	-0.7549
21	C	A	-0.5297
22	S	A	-0.6360
23	S	A	-0.4671
24	G	A	-0.3759
25	T	A	-0.1446
26	Y	A	0.2719
27	T	A	-0.1935
28	C	A	-1.3048
29	D	A	-2.5636
30	A	A	-2.5652
31	D	A	-3.5941
32	N	A	-2.9530
33	C	A	0.0000
34	G	A	-1.8654
35	N	A	-1.9441
36	L	A	-0.5954
37	C	A	0.0000
38	P	A	-0.6169
39	S	A	-0.4909
40	D	A	-0.1798
41	W	A	0.3922
42	Q	A	-0.8639
43	L	A	-0.3232
44	T	A	-0.4728
45	L	A	0.0000
46	H	A	-0.2045
47	C	A	0.0000
48	H	A	-0.4663
49	R	A	-1.0616
50	L	A	-0.0885
51	D	A	-1.4962
52	S	A	-0.8915
53	S	A	-0.6634
54	T	A	-0.2189
55	Y	A	0.2358
56	T	A	0.1368
57	Y	A	0.0782
58	D	A	-1.0484
59	W	A	0.0185
60	H	A	-0.5740
61	V	A	0.6249
62	E	A	-0.8169
63	T	A	0.1661
64	W	A	0.8902