Project name: S1A2_baseline_Aggrescan3D

Chain sequence(s)	B: SAEEEAEKSRGGGGGVGGGGGGGGGLGGGGGGGGGGGAGG
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]                                                (00:00:06)
[WARNING]    runJob:   Working directory already exists (possibly overwriting previous results -ow 
                       to prevent this behavior)                                                   (00:00:06)
[INFO]       runJob:   Starting aggrescan3d job on: input.pdb with B chain(s) selected             (00:00:06)
[INFO]       runJob:   Creating pdb object from: input.pdb                                         (00:00:06)
[INFO]       runJob:   FoldX not utilized. Treating input pdb file as it was already optimized.    (00:00:06)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:06)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:07)

• Minimal score value: -4.5606
• Maximal score value: 0.8281
• Average score: -1.7142
• Total score value: -68.5692

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	-1.8900
2	A	B	-2.3064
3	E	B	-3.8720
4	E	B	-4.1945
5	E	B	-4.0370
6	A	B	-3.6684
7	E	B	-4.5606
8	K	B	-4.0780
9	S	B	-2.8610
10	R	B	-3.3797
11	G	B	-2.7920
12	G	B	-1.9057
13	G	B	-1.7747
14	G	B	-1.3044
15	G	B	-0.5210
16	V	B	0.8281
17	G	B	-0.5585
18	G	B	-2.0633
19	G	B	-1.8981
20	G	B	-2.2904
21	G	B	-2.2553
22	G	B	-1.4873
23	G	B	-1.0772
24	G	B	-0.7972
25	G	B	-0.3257
26	L	B	0.6834
27	G	B	-0.3502
28	G	B	-0.7625
29	G	B	-1.0169
30	G	B	-1.2929
31	G	B	-1.3331
32	G	B	-1.3015
33	G	B	-1.3034
34	G	B	-1.3608
35	G	B	-1.2403
36	G	B	-1.2692
37	G	B	-1.1494
38	A	B	-0.6261
39	G	B	-0.6695
40	G	B	-0.5065