Project name: 1ae26baa5eda4b7

Chain sequence(s)	A: ITAHQKTNKKECPEDYTYNPRCPQQYGWSDCDCMGDRFGGYCRQDGCSNYIHRSTYEWYVSAW
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                                          (00:01:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:01)

• Minimal score value: -4.4388
• Maximal score value: 2.6933
• Average score: -1.114
• Total score value: -70.1807

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	I	A	2.4852
2	T	A	1.6545
3	A	A	0.3666
4	H	A	-1.1657
5	Q	A	-2.4840
6	K	A	-2.8530
7	T	A	-2.8766
8	N	A	-3.8462
9	K	A	-4.4388
10	K	A	-4.2330
11	E	A	-3.3270
12	C	A	-2.0310
13	P	A	-1.8041
14	E	A	-2.8023
15	D	A	-2.3098
16	Y	A	-1.2630
17	T	A	-0.3880
18	Y	A	0.3533
19	N	A	0.0000
20	P	A	-1.1580
21	R	A	-2.1791
22	C	A	0.0000
23	P	A	-1.9073
24	Q	A	-2.3872
25	Q	A	-2.1258
26	Y	A	-1.1888
27	G	A	-1.1862
28	W	A	-1.0051
29	S	A	-1.3267
30	D	A	-2.2009
31	C	A	-1.3778
32	D	A	-1.4464
33	C	A	0.0000
34	M	A	0.0000
35	G	A	0.0000
36	D	A	-0.7756
37	R	A	-1.5677
38	F	A	0.7636
39	G	A	0.1888
40	G	A	0.1169
41	Y	A	0.6240
42	C	A	-0.5939
43	R	A	-1.4090
44	Q	A	-1.9994
45	D	A	-2.4569
46	G	A	-1.1963
47	C	A	-1.0627
48	S	A	-0.7385
49	N	A	-1.7688
50	Y	A	-1.5906
51	I	A	-1.9399
52	H	A	-3.3065
53	R	A	-3.5663
54	S	A	-2.6841
55	T	A	-1.6886
56	Y	A	-0.8561
57	E	A	-1.5532
58	W	A	0.4087
59	Y	A	1.4837
60	V	A	2.6933
61	S	A	1.7175
62	A	A	1.3826
63	W	A	1.6465