Project name: 7ecdfe6de5e6e26

Chain sequence(s)	A: RRGPDGYSWICECSSGTYTCDADNCGNLCPSDWQLTLHCHRLDSST
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]                                                (00:00:01)
[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]       FoldX:    Starting FoldX energy minimalization                                        (00:00:02)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:27)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:28)

• Minimal score value: -2.7787
• Maximal score value: 0.0674
• Average score: -1.1029
• Total score value: -50.7333

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	R	A	-2.6826
2	R	A	-2.7787
3	G	A	-2.3334
4	P	A	-1.6720
5	D	A	-1.4971
6	G	A	-1.3537
7	Y	A	-1.3794
8	S	A	-1.7641
9	W	A	-1.5326
10	I	A	-0.6708
11	C	A	0.0000
12	E	A	-1.1660
13	C	A	0.0000
14	S	A	-0.4524
15	S	A	-0.3438
16	G	A	-0.5710
17	T	A	-0.4483
18	Y	A	0.0674
19	T	A	-0.7129
20	C	A	0.0000
21	D	A	0.0000
22	A	A	-1.8808
23	D	A	-2.3450
24	N	A	-2.0507
25	C	A	-1.1596
26	G	A	-1.4060
27	N	A	-1.7254
28	L	A	-0.3600
29	C	A	0.0000
30	P	A	-1.0599
31	S	A	-1.4261
32	D	A	-1.9261
33	W	A	-0.7777
34	Q	A	-1.2055
35	L	A	-0.4066
36	T	A	-0.2409
37	L	A	-0.3615
38	H	A	-1.2454
39	C	A	-1.1852
40	H	A	-1.7135
41	R	A	-1.6537
42	L	A	-1.0174
43	D	A	-1.9540
44	S	A	-1.0675
45	S	A	-0.7733
46	T	A	-0.5001