Project name: S1A2_Lloop_focused_Aggrescan3D

Chain sequence(s)	B: SAEEEAEKYRNDGGGVGGGGGGGGGLGGGGGGGGGGGAGG
Selected Chain(s)	B
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 B 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.                                          (00:00:02)

• Minimal score value: -4.1858
• Maximal score value: 0.9018
• Average score: -1.6104
• Total score value: -64.4155

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	S	B	-1.8663
2	A	B	-2.3136
3	E	B	-3.8866
4	E	B	-4.1858
5	E	B	-3.9759
6	A	B	-3.3158
7	E	B	-4.0421
8	K	B	-3.6778
9	Y	B	-2.0556
10	R	B	-3.2426
11	N	B	-3.0217
12	D	B	-2.9983
13	G	B	0.0000
14	G	B	-1.7039
15	G	B	-1.3597
16	V	B	0.9018
17	G	B	-0.1020
18	G	B	-0.7156
19	G	B	-0.9802
20	G	B	-1.2134
21	G	B	-1.1791
22	G	B	-1.4068
23	G	B	-1.2361
24	G	B	-0.9041
25	G	B	-0.7658
26	L	B	0.0167
27	G	B	-0.9424
28	G	B	-1.5430
29	G	B	-1.7021
30	G	B	-1.5367
31	G	B	-1.1949
32	G	B	-1.4217
33	G	B	-1.4678
34	G	B	-1.2926
35	G	B	-1.1878
36	G	B	-0.7815
37	G	B	-0.3728
38	A	B	-0.2159
39	G	B	-0.6628
40	G	B	-0.8632