Project name: e5a820a7022d642

Chain sequence(s)	A: IKVRIRKPKRPIPKTDDELYSWDEYWKKQREIRAERGAARSARLN
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                                          (00:01:25)
[INFO]       Main:     Simulation completed successfully.                                          (00:01:25)

• Minimal score value: -4.7626
• Maximal score value: 1.3531
• Average score: -2.1618
• Total score value: -97.2803

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	I	A	1.3531
2	K	A	-0.0783
3	V	A	0.7722
4	R	A	-0.9593
5	I	A	-0.0244
6	R	A	-2.2800
7	K	A	-3.1111
8	P	A	-2.5073
9	K	A	-3.2081
10	R	A	-2.6648
11	P	A	-0.8054
12	I	A	0.8460
13	P	A	-0.0032
14	K	A	-1.2843
15	T	A	-1.8818
16	D	A	-3.0206
17	D	A	-3.3094
18	E	A	-2.5812
19	L	A	0.1135
20	Y	A	-0.1219
21	S	A	-0.8362
22	W	A	-1.1959
23	D	A	-2.7914
24	E	A	-3.0989
25	Y	A	-1.9267
26	W	A	-2.3674
27	K	A	-4.1837
28	K	A	-4.3268
29	Q	A	-3.8324
30	R	A	-4.6429
31	E	A	-4.7626
32	I	A	-3.6638
33	R	A	-4.4640
34	A	A	-3.8159
35	E	A	-4.2676
36	R	A	-4.3316
37	G	A	-3.0828
38	A	A	-2.4692
39	A	A	-2.6203
40	R	A	-3.0562
41	S	A	-1.9115
42	A	A	-1.4987
43	R	A	-2.0028
44	L	A	-0.3798
45	N	A	-0.9949