Project name: cf9ed2fe6393e22

Chain sequence(s)	A: GRETYDYAMWCGDQEGFAFEEMDKCVIAGYDGYDY
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                                          (00:00:15)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:16)

• Minimal score value: -3.1385
• Maximal score value: 0.9999
• Average score: -1.0707
• Total score value: -37.4744

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	G	A	-1.9071
2	R	A	-3.1385
3	E	A	-3.0149
4	T	A	-1.7104
5	Y	A	-1.5941
6	D	A	-1.8721
7	Y	A	0.1430
8	A	A	0.0000
9	M	A	-0.1120
11	W	A	0.3014
12	C	A	0.0000
13	G	A	-0.9980
14	D	A	-2.4005
15	Q	A	-2.0145
16	E	A	-2.7156
17	G	A	-1.2407
18	F	A	-0.6160
19	A	A	-0.0512
20	F	A	0.4303
21	E	A	-2.0403
22	E	A	-2.1261
23	M	A	-1.2669
24	D	A	-2.5923
25	K	A	-2.5094
26	C	A	-0.6404
27	V	A	0.0000
29	I	A	0.9999
30	A	A	0.3822
31	G	A	-0.1667
32	Y	A	-0.8233
33	D	A	-1.9723
34	G	A	-1.4598
35	Y	A	-0.0962
36	D	A	-1.1456
37	Y	A	0.4937