Project name: b162de3d62f714c

Chain sequence(s)	A: TVQQKTHQVCPDGFDWGYGCAAGSSRFCTRHDWCCYDERADSHTYGFCTGNRVTNTYEFHADAW
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                                          (00:00:53)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:53)

• Minimal score value: -2.5581
• Maximal score value: 1.5979
• Average score: -0.6952
• Total score value: -44.4938

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	0.3733
2	V	A	0.6932
3	Q	A	-1.3339
4	Q	A	-2.2111
5	K	A	-2.5581
6	T	A	-1.9238
7	H	A	-1.8149
8	Q	A	-1.1731
9	V	A	0.5414
10	C	A	-0.2860
11	P	A	-0.9367
12	D	A	-2.0933
13	G	A	-1.6961
14	F	A	-1.0759
15	D	A	-0.8732
16	W	A	0.4159
17	G	A	0.9646
18	Y	A	1.5979
19	G	A	0.0000
20	C	A	0.0000
21	A	A	-0.4988
22	A	A	-0.6677
23	G	A	-0.6771
24	S	A	-0.3703
25	S	A	-0.6440
26	R	A	-1.0937
27	F	A	0.6536
28	C	A	-0.1694
29	T	A	-0.6718
30	R	A	-1.9975
31	H	A	-0.9740
32	D	A	0.0289
33	W	A	1.3091
34	C	A	0.0000
35	C	A	0.0000
36	Y	A	-0.0559
37	D	A	0.0000
38	E	A	-2.1108
39	R	A	-2.5380
40	A	A	-1.6731
41	D	A	-2.3672
42	S	A	-1.6016
43	H	A	-1.2163
44	T	A	-0.4892
45	Y	A	-0.0700
46	G	A	0.1022
47	F	A	0.3952
48	C	A	0.0449
49	T	A	-0.4454
50	G	A	-1.2825
51	N	A	-1.8629
52	R	A	-1.9089
53	V	A	-1.0011
54	T	A	-1.3106
55	N	A	-1.7688
56	T	A	-0.6655
57	Y	A	-0.3030
58	E	A	-0.9871
59	F	A	0.5694
60	H	A	-0.9142
61	A	A	-0.8787
62	D	A	-1.4883
63	A	A	-0.3234
64	W	A	0.8195