Project name: 8623a892dcc4b10

Chain sequence(s)	A: EKRSCPGGSSRRYPSGASCDVSGGACACYVSNCRGVLCPTLNEIVAY
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                                        (00:00:01)
[INFO]       Analysis: Starting Aggrescan3D on folded.pdb                                          (00:00:36)
[INFO]       Main:     Simulation completed successfully.                                          (00:00:36)

• Minimal score value: -3.1492
• Maximal score value: 1.8984
• Average score: -0.7807
• Total score value: -36.6943

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	E	A	-2.6035
2	K	A	-3.1492
3	R	A	-1.9662
4	S	A	-0.9940
5	C	A	-0.8431
6	P	A	-0.6222
7	G	A	-0.7775
8	G	A	-1.0156
9	S	A	-1.0276
10	S	A	-1.8127
11	R	A	-2.4157
12	R	A	-2.4131
13	Y	A	-0.9344
14	P	A	-0.7463
15	S	A	-0.7623
16	G	A	-0.7412
17	A	A	0.0000
18	S	A	-1.0602
19	C	A	0.0000
20	D	A	-1.8639
21	V	A	-1.2411
22	S	A	-1.0494
23	G	A	-0.9429
24	G	A	-1.1224
25	A	A	0.0000
26	C	A	0.0000
27	A	A	-1.5356
28	C	A	0.0000
29	Y	A	0.4957
30	V	A	0.0694
31	S	A	-0.6472
32	N	A	-1.6867
33	C	A	-0.5424
34	R	A	-1.5601
35	G	A	-0.1295
36	V	A	1.8984
37	L	A	1.7375
38	C	A	0.3327
39	P	A	-0.7040
40	T	A	-0.7188
41	L	A	-0.2539
42	N	A	-1.4141
43	E	A	-1.8973
44	I	A	0.0000
45	V	A	-0.6648
46	A	A	-0.1443
47	Y	A	0.7752