Project name: 1ywo_1

Chain sequence(s)	A: SAVKALFDYKAQREDELTFTKSAIIQNVEKQDGGWWRGDYGGKKQLWFPSNYVEE
Selected Chain(s)	A
Distance of aggregation	10 Å
FoldX usage	No
Dynamic mode	No
Automated mutations	No

Simulation log

[INFO]       Logger:   Verbosity set to: 2 - [INFO]                                                (00:00:01)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:01)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with A chain(s) selected             (00:00:01)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:01)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:01)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:01)

• Minimal score value: -3.8056
• Maximal score value: 0.5786
• Average score: -1.3964
• Total score value: -76.8009

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
5	S	A	-1.7228
6	A	A	-1.4175
7	V	A	0.0000
8	K	A	-1.1661
9	A	A	0.0000
10	L	A	0.0027
11	F	A	0.2858
12	D	A	-1.7796
13	Y	A	0.0000
14	K	A	-2.4765
15	A	A	-2.4724
16	Q	A	-3.0826
17	R	A	-3.8056
18	E	A	-3.3816
19	D	A	-2.8140
20	E	A	0.0000
21	L	A	0.0000
22	T	A	-1.2283
23	F	A	0.0000
24	T	A	-1.3455
25	K	A	-1.3595
26	S	A	-0.7248
27	A	A	0.0000
28	I	A	0.5786
29	I	A	0.0000
30	Q	A	-2.0209
31	N	A	-2.8368
32	V	A	-2.5388
33	E	A	-3.2016
34	K	A	-3.1943
35	Q	A	-2.7586
36	D	A	-2.6171
37	G	A	-1.6933
38	G	A	-1.3266
39	W	A	-1.0028
40	W	A	-1.6255
41	R	A	-2.0545
42	G	A	0.0000
43	D	A	-1.9401
44	Y	A	-0.8176
45	G	A	-0.8050
46	G	A	-1.3180
47	K	A	-1.8605
48	K	A	-2.7527
49	Q	A	-2.1768
50	L	A	-1.3056
51	W	A	-0.9866
52	F	A	0.0000
53	P	A	0.0000
54	S	A	-1.1352
55	N	A	-0.9270
56	Y	A	-0.3233
57	V	A	-1.0092
58	E	A	-2.1951
59	E	A	-2.4677